----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:41:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.081947160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.081947160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160388240000000 Atomic positions (fractional): *1 F 0.72304269462848 0.72304269462848 0.00000000000000 18.998 2 F 0.77695730537152 0.22304269462848 0.50000000000000 18.998 3 F 0.22304269462848 0.77695730537152 0.50000000000000 18.998 4 F 0.27695730537152 0.27695730537152 0.00000000000000 18.998 *5 F 0.68608892056480 0.68608892056480 0.35502725986878 18.998 6 F 0.31391107943520 0.31391107943520 0.35502725986878 18.998 7 F 0.31391107943520 0.31391107943520 0.64497274013122 18.998 8 F 0.18608892056480 0.81391107943520 0.14497274013122 18.998 9 F 0.81391107943520 0.18608892056480 0.14497274013122 18.998 10 F 0.81391107943520 0.18608892056480 0.85502725986878 18.998 11 F 0.18608892056480 0.81391107943520 0.85502725986878 18.998 12 F 0.68608892056480 0.68608892056480 0.64497274013122 18.998 *13 Na 0.00000000000000 0.00000000000000 0.33623498313226 22.990 14 Na 0.50000000000000 0.50000000000000 0.83623498313226 22.990 15 Na 0.00000000000000 0.00000000000000 0.66376501686774 22.990 16 Na 0.50000000000000 0.50000000000000 0.16376501686774 22.990 *17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 18 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.081947160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.081947160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160388240000000 Atomic positions (fractional): *1 F 0.72304269462848 0.72304269462848 0.00000000000000 18.998 > 1 2 F 0.77695730537152 0.22304269462848 0.50000000000000 18.998 > 2 3 F 0.22304269462848 0.77695730537152 0.50000000000000 18.998 > 3 4 F 0.27695730537152 0.27695730537152 0.00000000000000 18.998 > 4 *5 F 0.68608892056480 0.68608892056480 0.35502725986878 18.998 > 5 6 F 0.31391107943520 0.31391107943520 0.35502725986878 18.998 > 6 7 F 0.31391107943520 0.31391107943520 0.64497274013122 18.998 > 7 8 F 0.18608892056480 0.81391107943520 0.14497274013122 18.998 > 8 9 F 0.81391107943520 0.18608892056480 0.14497274013122 18.998 > 9 10 F 0.81391107943520 0.18608892056480 0.85502725986878 18.998 > 10 11 F 0.18608892056480 0.81391107943520 0.85502725986878 18.998 > 11 12 F 0.68608892056480 0.68608892056480 0.64497274013122 18.998 > 12 *13 Na 0.00000000000000 0.00000000000000 0.33623498313226 22.990 > 13 14 Na 0.50000000000000 0.50000000000000 0.83623498313226 22.990 > 14 15 Na 0.00000000000000 0.00000000000000 0.66376501686774 22.990 > 15 16 Na 0.50000000000000 0.50000000000000 0.16376501686774 22.990 > 16 *17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.163894320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.163894320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 20.320776479999999 Atomic positions (fractional): *1 F 0.36152134731424 0.36152134731424 0.00000000000000 18.998 > 1 2 F 0.86152134731424 0.36152134731424 0.00000000000000 18.998 > 1 3 F 0.36152134731424 0.86152134731424 0.00000000000000 18.998 > 1 4 F 0.86152134731424 0.86152134731424 0.00000000000000 18.998 > 1 5 F 0.36152134731424 0.36152134731424 0.50000000000000 18.998 > 1 6 F 0.86152134731424 0.36152134731424 0.50000000000000 18.998 > 1 7 F 0.36152134731424 0.86152134731424 0.50000000000000 18.998 > 1 8 F 0.86152134731424 0.86152134731424 0.50000000000000 18.998 > 1 9 F 0.38847865268576 0.11152134731424 0.25000000000000 18.998 > 2 10 F 0.88847865268576 0.11152134731424 0.25000000000000 18.998 > 2 11 F 0.38847865268576 0.61152134731424 0.25000000000000 18.998 > 2 12 F 0.88847865268576 0.61152134731424 0.25000000000000 18.998 > 2 13 F 0.38847865268576 0.11152134731424 0.75000000000000 18.998 > 2 14 F 0.88847865268576 0.11152134731424 0.75000000000000 18.998 > 2 15 F 0.38847865268576 0.61152134731424 0.75000000000000 18.998 > 2 16 F 0.88847865268576 0.61152134731424 0.75000000000000 18.998 > 2 17 F 0.11152134731424 0.38847865268576 0.25000000000000 18.998 > 3 18 F 0.61152134731424 0.38847865268576 0.25000000000000 18.998 > 3 19 F 0.11152134731424 0.88847865268576 0.25000000000000 18.998 > 3 20 F 0.61152134731424 0.88847865268576 0.25000000000000 18.998 > 3 21 F 0.11152134731424 0.38847865268576 0.75000000000000 18.998 > 3 22 F 0.61152134731424 0.38847865268576 0.75000000000000 18.998 > 3 23 F 0.11152134731424 0.88847865268576 0.75000000000000 18.998 > 3 24 F 0.61152134731424 0.88847865268576 0.75000000000000 18.998 > 3 25 F 0.13847865268576 0.13847865268576 0.00000000000000 18.998 > 4 26 F 0.63847865268576 0.13847865268576 0.00000000000000 18.998 > 4 27 F 0.13847865268576 0.63847865268576 0.00000000000000 18.998 > 4 28 F 0.63847865268576 0.63847865268576 0.00000000000000 18.998 > 4 29 F 0.13847865268576 0.13847865268576 0.50000000000000 18.998 > 4 30 F 0.63847865268576 0.13847865268576 0.50000000000000 18.998 > 4 31 F 0.13847865268576 0.63847865268576 0.50000000000000 18.998 > 4 32 F 0.63847865268576 0.63847865268576 0.50000000000000 18.998 > 4 *33 F 0.34304446028240 0.34304446028240 0.17751362993439 18.998 > 5 34 F 0.84304446028240 0.34304446028240 0.17751362993439 18.998 > 5 35 F 0.34304446028240 0.84304446028240 0.17751362993439 18.998 > 5 36 F 0.84304446028240 0.84304446028240 0.17751362993439 18.998 > 5 37 F 0.34304446028240 0.34304446028240 0.67751362993439 18.998 > 5 38 F 0.84304446028240 0.34304446028240 0.67751362993439 18.998 > 5 39 F 0.34304446028240 0.84304446028240 0.67751362993439 18.998 > 5 40 F 0.84304446028240 0.84304446028240 0.67751362993439 18.998 > 5 41 F 0.15695553971760 0.15695553971760 0.17751362993439 18.998 > 6 42 F 0.65695553971760 0.15695553971760 0.17751362993439 18.998 > 6 43 F 0.15695553971760 0.65695553971760 0.17751362993439 18.998 > 6 44 F 0.65695553971760 0.65695553971760 0.17751362993439 18.998 > 6 45 F 0.15695553971760 0.15695553971760 0.67751362993439 18.998 > 6 46 F 0.65695553971760 0.15695553971760 0.67751362993439 18.998 > 6 47 F 0.15695553971760 0.65695553971760 0.67751362993439 18.998 > 6 48 F 0.65695553971760 0.65695553971760 0.67751362993439 18.998 > 6 49 F 0.15695553971760 0.15695553971760 0.32248637006561 18.998 > 7 50 F 0.65695553971760 0.15695553971760 0.32248637006561 18.998 > 7 51 F 0.15695553971760 0.65695553971760 0.32248637006561 18.998 > 7 52 F 0.65695553971760 0.65695553971760 0.32248637006561 18.998 > 7 53 F 0.15695553971760 0.15695553971760 0.82248637006561 18.998 > 7 54 F 0.65695553971760 0.15695553971760 0.82248637006561 18.998 > 7 55 F 0.15695553971760 0.65695553971760 0.82248637006561 18.998 > 7 56 F 0.65695553971760 0.65695553971760 0.82248637006561 18.998 > 7 57 F 0.09304446028240 0.40695553971760 0.07248637006561 18.998 > 8 58 F 0.59304446028240 0.40695553971760 0.07248637006561 18.998 > 8 59 F 0.09304446028240 0.90695553971760 0.07248637006561 18.998 > 8 60 F 0.59304446028240 0.90695553971760 0.07248637006561 18.998 > 8 61 F 0.09304446028240 0.40695553971760 0.57248637006561 18.998 > 8 62 F 0.59304446028240 0.40695553971760 0.57248637006561 18.998 > 8 63 F 0.09304446028240 0.90695553971760 0.57248637006561 18.998 > 8 64 F 0.59304446028240 0.90695553971760 0.57248637006561 18.998 > 8 65 F 0.40695553971760 0.09304446028240 0.07248637006561 18.998 > 9 66 F 0.90695553971760 0.09304446028240 0.07248637006561 18.998 > 9 67 F 0.40695553971760 0.59304446028240 0.07248637006561 18.998 > 9 68 F 0.90695553971760 0.59304446028240 0.07248637006561 18.998 > 9 69 F 0.40695553971760 0.09304446028240 0.57248637006561 18.998 > 9 70 F 0.90695553971760 0.09304446028240 0.57248637006561 18.998 > 9 71 F 0.40695553971760 0.59304446028240 0.57248637006561 18.998 > 9 72 F 0.90695553971760 0.59304446028240 0.57248637006561 18.998 > 9 73 F 0.40695553971760 0.09304446028240 0.42751362993439 18.998 > 10 74 F 0.90695553971760 0.09304446028240 0.42751362993439 18.998 > 10 75 F 0.40695553971760 0.59304446028240 0.42751362993439 18.998 > 10 76 F 0.90695553971760 0.59304446028240 0.42751362993439 18.998 > 10 77 F 0.40695553971760 0.09304446028240 0.92751362993439 18.998 > 10 78 F 0.90695553971760 0.09304446028240 0.92751362993439 18.998 > 10 79 F 0.40695553971760 0.59304446028240 0.92751362993439 18.998 > 10 80 F 0.90695553971760 0.59304446028240 0.92751362993439 18.998 > 10 81 F 0.09304446028240 0.40695553971760 0.42751362993439 18.998 > 11 82 F 0.59304446028240 0.40695553971760 0.42751362993439 18.998 > 11 83 F 0.09304446028240 0.90695553971760 0.42751362993439 18.998 > 11 84 F 0.59304446028240 0.90695553971760 0.42751362993439 18.998 > 11 85 F 0.09304446028240 0.40695553971760 0.92751362993439 18.998 > 11 86 F 0.59304446028240 0.40695553971760 0.92751362993439 18.998 > 11 87 F 0.09304446028240 0.90695553971760 0.92751362993439 18.998 > 11 88 F 0.59304446028240 0.90695553971760 0.92751362993439 18.998 > 11 89 F 0.34304446028240 0.34304446028240 0.32248637006561 18.998 > 12 90 F 0.84304446028240 0.34304446028240 0.32248637006561 18.998 > 12 91 F 0.34304446028240 0.84304446028240 0.32248637006561 18.998 > 12 92 F 0.84304446028240 0.84304446028240 0.32248637006561 18.998 > 12 93 F 0.34304446028240 0.34304446028240 0.82248637006561 18.998 > 12 94 F 0.84304446028240 0.34304446028240 0.82248637006561 18.998 > 12 95 F 0.34304446028240 0.84304446028240 0.82248637006561 18.998 > 12 96 F 0.84304446028240 0.84304446028240 0.82248637006561 18.998 > 12 *97 Na 0.00000000000000 0.00000000000000 0.16811749156613 22.990 > 13 98 Na 0.50000000000000 0.00000000000000 0.16811749156613 22.990 > 13 99 Na 0.00000000000000 0.50000000000000 0.16811749156613 22.990 > 13 100 Na 0.50000000000000 0.50000000000000 0.16811749156613 22.990 > 13 101 Na 0.00000000000000 0.00000000000000 0.66811749156613 22.990 > 13 102 Na 0.50000000000000 0.00000000000000 0.66811749156613 22.990 > 13 103 Na 0.00000000000000 0.50000000000000 0.66811749156613 22.990 > 13 104 Na 0.50000000000000 0.50000000000000 0.66811749156613 22.990 > 13 105 Na 0.25000000000000 0.25000000000000 0.41811749156613 22.990 > 14 106 Na 0.75000000000000 0.25000000000000 0.41811749156613 22.990 > 14 107 Na 0.25000000000000 0.75000000000000 0.41811749156613 22.990 > 14 108 Na 0.75000000000000 0.75000000000000 0.41811749156613 22.990 > 14 109 Na 0.25000000000000 0.25000000000000 0.91811749156613 22.990 > 14 110 Na 0.75000000000000 0.25000000000000 0.91811749156613 22.990 > 14 111 Na 0.25000000000000 0.75000000000000 0.91811749156613 22.990 > 14 112 Na 0.75000000000000 0.75000000000000 0.91811749156613 22.990 > 14 113 Na 0.00000000000000 0.00000000000000 0.33188250843387 22.990 > 15 114 Na 0.50000000000000 0.00000000000000 0.33188250843387 22.990 > 15 115 Na 0.00000000000000 0.50000000000000 0.33188250843387 22.990 > 15 116 Na 0.50000000000000 0.50000000000000 0.33188250843387 22.990 > 15 117 Na 0.00000000000000 0.00000000000000 0.83188250843387 22.990 > 15 118 Na 0.50000000000000 0.00000000000000 0.83188250843387 22.990 > 15 119 Na 0.00000000000000 0.50000000000000 0.83188250843387 22.990 > 15 120 Na 0.50000000000000 0.50000000000000 0.83188250843387 22.990 > 15 121 Na 0.25000000000000 0.25000000000000 0.08188250843387 22.990 > 16 122 Na 0.75000000000000 0.25000000000000 0.08188250843387 22.990 > 16 123 Na 0.25000000000000 0.75000000000000 0.08188250843387 22.990 > 16 124 Na 0.75000000000000 0.75000000000000 0.08188250843387 22.990 > 16 125 Na 0.25000000000000 0.25000000000000 0.58188250843387 22.990 > 16 126 Na 0.75000000000000 0.25000000000000 0.58188250843387 22.990 > 16 127 Na 0.25000000000000 0.75000000000000 0.58188250843387 22.990 > 16 128 Na 0.75000000000000 0.75000000000000 0.58188250843387 22.990 > 16 *129 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 130 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 131 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 17 132 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 17 133 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 17 134 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 17 135 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 17 136 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 17 137 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 > 18 138 Sn 0.75000000000000 0.25000000000000 0.25000000000000 118.710 > 18 139 Sn 0.25000000000000 0.75000000000000 0.25000000000000 118.710 > 18 140 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 > 18 141 Sn 0.25000000000000 0.25000000000000 0.75000000000000 118.710 > 18 142 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 > 18 143 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 > 18 144 Sn 0.75000000000000 0.75000000000000 0.75000000000000 118.710 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9476713 0.0000000 0.0000000 0.0000000 1.9476713 0.0000000 0.0000000 0.0000000 1.9778301 -------------------------- Born effective charges -------------------------- 1 F -1.0383977 -0.3350145 0.0000000 -0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 2 F -1.0383977 0.3350145 0.0000000 0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 3 F -1.0383977 0.3350145 0.0000000 0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 4 F -1.0383977 -0.3350145 0.0000000 -0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 5 F -0.8631803 -0.1761912 0.1930748 -0.1761912 -0.8631803 0.1930748 0.1701808 0.1701808 -1.0504250 6 F -0.8631803 -0.1761912 -0.1930748 -0.1761912 -0.8631803 -0.1930748 -0.1701808 -0.1701808 -1.0504250 7 F -0.8631803 -0.1761912 0.1930748 -0.1761912 -0.8631803 0.1930748 0.1701808 0.1701808 -1.0504250 8 F -0.8631803 0.1761912 -0.1930748 0.1761912 -0.8631803 0.1930748 -0.1701808 0.1701808 -1.0504250 9 F -0.8631803 0.1761912 0.1930748 0.1761912 -0.8631803 -0.1930748 0.1701808 -0.1701808 -1.0504250 10 F -0.8631803 0.1761912 -0.1930748 0.1761912 -0.8631803 0.1930748 -0.1701808 0.1701808 -1.0504250 11 F -0.8631803 0.1761912 0.1930748 0.1761912 -0.8631803 -0.1930748 0.1701808 -0.1701808 -1.0504250 12 F -0.8631803 -0.1761912 -0.1930748 -0.1761912 -0.8631803 -0.1930748 -0.1701808 -0.1701808 -1.0504250 13 Na 1.0778226 0.0322194 0.0000000 0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 14 Na 1.0778226 -0.0322194 0.0000000 -0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 15 Na 1.0778226 0.0322194 0.0000000 0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 16 Na 1.0778226 -0.0322194 0.0000000 -0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 17 Sn 3.3738715 0.0703406 0.0000000 0.0703406 3.3738715 0.0000000 0.0000000 0.0000000 3.3758142 18 Sn 3.3738715 -0.0703406 0.0000000 -0.0703406 3.3738715 0.0000000 0.0000000 0.0000000 3.3758142 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 1.055 Solver_block: 160 / 160 - Time: 0.693 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.769 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:41:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.081947160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.081947160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160388240000000 Atomic positions (fractional): 1 F 0.72304269462848 0.72304269462848 0.00000000000000 18.998 2 F 0.77695730537152 0.22304269462848 0.50000000000000 18.998 3 F 0.22304269462848 0.77695730537152 0.50000000000000 18.998 4 F 0.27695730537152 0.27695730537152 0.00000000000000 18.998 5 F 0.68608892056480 0.68608892056480 0.35502725986878 18.998 6 F 0.31391107943520 0.31391107943520 0.35502725986878 18.998 7 F 0.31391107943520 0.31391107943520 0.64497274013122 18.998 8 F 0.18608892056480 0.81391107943520 0.14497274013122 18.998 9 F 0.81391107943520 0.18608892056480 0.14497274013122 18.998 10 F 0.81391107943520 0.18608892056480 0.85502725986878 18.998 11 F 0.18608892056480 0.81391107943520 0.85502725986878 18.998 12 F 0.68608892056480 0.68608892056480 0.64497274013122 18.998 13 Na 0.00000000000000 0.00000000000000 0.33623498313226 22.990 14 Na 0.50000000000000 0.50000000000000 0.83623498313226 22.990 15 Na 0.00000000000000 0.00000000000000 0.66376501686774 22.990 16 Na 0.50000000000000 0.50000000000000 0.16376501686774 22.990 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 18 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.163894320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.163894320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 20.320776479999999 Atomic positions (fractional): 1 F 0.36152134731424 0.36152134731424 0.00000000000000 18.998 > 1 2 F 0.86152134731424 0.36152134731424 0.00000000000000 18.998 > 1 3 F 0.36152134731424 0.86152134731424 0.00000000000000 18.998 > 1 4 F 0.86152134731424 0.86152134731424 0.00000000000000 18.998 > 1 5 F 0.36152134731424 0.36152134731424 0.50000000000000 18.998 > 1 6 F 0.86152134731424 0.36152134731424 0.50000000000000 18.998 > 1 7 F 0.36152134731424 0.86152134731424 0.50000000000000 18.998 > 1 8 F 0.86152134731424 0.86152134731424 0.50000000000000 18.998 > 1 9 F 0.38847865268576 0.11152134731424 0.25000000000000 18.998 > 9 10 F 0.88847865268576 0.11152134731424 0.25000000000000 18.998 > 9 11 F 0.38847865268576 0.61152134731424 0.25000000000000 18.998 > 9 12 F 0.88847865268576 0.61152134731424 0.25000000000000 18.998 > 9 13 F 0.38847865268576 0.11152134731424 0.75000000000000 18.998 > 9 14 F 0.88847865268576 0.11152134731424 0.75000000000000 18.998 > 9 15 F 0.38847865268576 0.61152134731424 0.75000000000000 18.998 > 9 16 F 0.88847865268576 0.61152134731424 0.75000000000000 18.998 > 9 17 F 0.11152134731424 0.38847865268576 0.25000000000000 18.998 > 17 18 F 0.61152134731424 0.38847865268576 0.25000000000000 18.998 > 17 19 F 0.11152134731424 0.88847865268576 0.25000000000000 18.998 > 17 20 F 0.61152134731424 0.88847865268576 0.25000000000000 18.998 > 17 21 F 0.11152134731424 0.38847865268576 0.75000000000000 18.998 > 17 22 F 0.61152134731424 0.38847865268576 0.75000000000000 18.998 > 17 23 F 0.11152134731424 0.88847865268576 0.75000000000000 18.998 > 17 24 F 0.61152134731424 0.88847865268576 0.75000000000000 18.998 > 17 25 F 0.13847865268576 0.13847865268576 0.00000000000000 18.998 > 25 26 F 0.63847865268576 0.13847865268576 0.00000000000000 18.998 > 25 27 F 0.13847865268576 0.63847865268576 0.00000000000000 18.998 > 25 28 F 0.63847865268576 0.63847865268576 0.00000000000000 18.998 > 25 29 F 0.13847865268576 0.13847865268576 0.50000000000000 18.998 > 25 30 F 0.63847865268576 0.13847865268576 0.50000000000000 18.998 > 25 31 F 0.13847865268576 0.63847865268576 0.50000000000000 18.998 > 25 32 F 0.63847865268576 0.63847865268576 0.50000000000000 18.998 > 25 33 F 0.34304446028240 0.34304446028240 0.17751362993439 18.998 > 33 34 F 0.84304446028240 0.34304446028240 0.17751362993439 18.998 > 33 35 F 0.34304446028240 0.84304446028240 0.17751362993439 18.998 > 33 36 F 0.84304446028240 0.84304446028240 0.17751362993439 18.998 > 33 37 F 0.34304446028240 0.34304446028240 0.67751362993439 18.998 > 33 38 F 0.84304446028240 0.34304446028240 0.67751362993439 18.998 > 33 39 F 0.34304446028240 0.84304446028240 0.67751362993439 18.998 > 33 40 F 0.84304446028240 0.84304446028240 0.67751362993439 18.998 > 33 41 F 0.15695553971760 0.15695553971760 0.17751362993439 18.998 > 41 42 F 0.65695553971760 0.15695553971760 0.17751362993439 18.998 > 41 43 F 0.15695553971760 0.65695553971760 0.17751362993439 18.998 > 41 44 F 0.65695553971760 0.65695553971760 0.17751362993439 18.998 > 41 45 F 0.15695553971760 0.15695553971760 0.67751362993439 18.998 > 41 46 F 0.65695553971760 0.15695553971760 0.67751362993439 18.998 > 41 47 F 0.15695553971760 0.65695553971760 0.67751362993439 18.998 > 41 48 F 0.65695553971760 0.65695553971760 0.67751362993439 18.998 > 41 49 F 0.15695553971760 0.15695553971760 0.32248637006561 18.998 > 49 50 F 0.65695553971760 0.15695553971760 0.32248637006561 18.998 > 49 51 F 0.15695553971760 0.65695553971760 0.32248637006561 18.998 > 49 52 F 0.65695553971760 0.65695553971760 0.32248637006561 18.998 > 49 53 F 0.15695553971760 0.15695553971760 0.82248637006561 18.998 > 49 54 F 0.65695553971760 0.15695553971760 0.82248637006561 18.998 > 49 55 F 0.15695553971760 0.65695553971760 0.82248637006561 18.998 > 49 56 F 0.65695553971760 0.65695553971760 0.82248637006561 18.998 > 49 57 F 0.09304446028240 0.40695553971760 0.07248637006561 18.998 > 57 58 F 0.59304446028240 0.40695553971760 0.07248637006561 18.998 > 57 59 F 0.09304446028240 0.90695553971760 0.07248637006561 18.998 > 57 60 F 0.59304446028240 0.90695553971760 0.07248637006561 18.998 > 57 61 F 0.09304446028240 0.40695553971760 0.57248637006561 18.998 > 57 62 F 0.59304446028240 0.40695553971760 0.57248637006561 18.998 > 57 63 F 0.09304446028240 0.90695553971760 0.57248637006561 18.998 > 57 64 F 0.59304446028240 0.90695553971760 0.57248637006561 18.998 > 57 65 F 0.40695553971760 0.09304446028240 0.07248637006561 18.998 > 65 66 F 0.90695553971760 0.09304446028240 0.07248637006561 18.998 > 65 67 F 0.40695553971760 0.59304446028240 0.07248637006561 18.998 > 65 68 F 0.90695553971760 0.59304446028240 0.07248637006561 18.998 > 65 69 F 0.40695553971760 0.09304446028240 0.57248637006561 18.998 > 65 70 F 0.90695553971760 0.09304446028240 0.57248637006561 18.998 > 65 71 F 0.40695553971760 0.59304446028240 0.57248637006561 18.998 > 65 72 F 0.90695553971760 0.59304446028240 0.57248637006561 18.998 > 65 73 F 0.40695553971760 0.09304446028240 0.42751362993439 18.998 > 73 74 F 0.90695553971760 0.09304446028240 0.42751362993439 18.998 > 73 75 F 0.40695553971760 0.59304446028240 0.42751362993439 18.998 > 73 76 F 0.90695553971760 0.59304446028240 0.42751362993439 18.998 > 73 77 F 0.40695553971760 0.09304446028240 0.92751362993439 18.998 > 73 78 F 0.90695553971760 0.09304446028240 0.92751362993439 18.998 > 73 79 F 0.40695553971760 0.59304446028240 0.92751362993439 18.998 > 73 80 F 0.90695553971760 0.59304446028240 0.92751362993439 18.998 > 73 81 F 0.09304446028240 0.40695553971760 0.42751362993439 18.998 > 81 82 F 0.59304446028240 0.40695553971760 0.42751362993439 18.998 > 81 83 F 0.09304446028240 0.90695553971760 0.42751362993439 18.998 > 81 84 F 0.59304446028240 0.90695553971760 0.42751362993439 18.998 > 81 85 F 0.09304446028240 0.40695553971760 0.92751362993439 18.998 > 81 86 F 0.59304446028240 0.40695553971760 0.92751362993439 18.998 > 81 87 F 0.09304446028240 0.90695553971760 0.92751362993439 18.998 > 81 88 F 0.59304446028240 0.90695553971760 0.92751362993439 18.998 > 81 89 F 0.34304446028240 0.34304446028240 0.32248637006561 18.998 > 89 90 F 0.84304446028240 0.34304446028240 0.32248637006561 18.998 > 89 91 F 0.34304446028240 0.84304446028240 0.32248637006561 18.998 > 89 92 F 0.84304446028240 0.84304446028240 0.32248637006561 18.998 > 89 93 F 0.34304446028240 0.34304446028240 0.82248637006561 18.998 > 89 94 F 0.84304446028240 0.34304446028240 0.82248637006561 18.998 > 89 95 F 0.34304446028240 0.84304446028240 0.82248637006561 18.998 > 89 96 F 0.84304446028240 0.84304446028240 0.82248637006561 18.998 > 89 97 Na 0.00000000000000 0.00000000000000 0.16811749156613 22.990 > 97 98 Na 0.50000000000000 0.00000000000000 0.16811749156613 22.990 > 97 99 Na 0.00000000000000 0.50000000000000 0.16811749156613 22.990 > 97 100 Na 0.50000000000000 0.50000000000000 0.16811749156613 22.990 > 97 101 Na 0.00000000000000 0.00000000000000 0.66811749156613 22.990 > 97 102 Na 0.50000000000000 0.00000000000000 0.66811749156613 22.990 > 97 103 Na 0.00000000000000 0.50000000000000 0.66811749156613 22.990 > 97 104 Na 0.50000000000000 0.50000000000000 0.66811749156613 22.990 > 97 105 Na 0.25000000000000 0.25000000000000 0.41811749156613 22.990 > 105 106 Na 0.75000000000000 0.25000000000000 0.41811749156613 22.990 > 105 107 Na 0.25000000000000 0.75000000000000 0.41811749156613 22.990 > 105 108 Na 0.75000000000000 0.75000000000000 0.41811749156613 22.990 > 105 109 Na 0.25000000000000 0.25000000000000 0.91811749156613 22.990 > 105 110 Na 0.75000000000000 0.25000000000000 0.91811749156613 22.990 > 105 111 Na 0.25000000000000 0.75000000000000 0.91811749156613 22.990 > 105 112 Na 0.75000000000000 0.75000000000000 0.91811749156613 22.990 > 105 113 Na 0.00000000000000 0.00000000000000 0.33188250843387 22.990 > 113 114 Na 0.50000000000000 0.00000000000000 0.33188250843387 22.990 > 113 115 Na 0.00000000000000 0.50000000000000 0.33188250843387 22.990 > 113 116 Na 0.50000000000000 0.50000000000000 0.33188250843387 22.990 > 113 117 Na 0.00000000000000 0.00000000000000 0.83188250843387 22.990 > 113 118 Na 0.50000000000000 0.00000000000000 0.83188250843387 22.990 > 113 119 Na 0.00000000000000 0.50000000000000 0.83188250843387 22.990 > 113 120 Na 0.50000000000000 0.50000000000000 0.83188250843387 22.990 > 113 121 Na 0.25000000000000 0.25000000000000 0.08188250843387 22.990 > 121 122 Na 0.75000000000000 0.25000000000000 0.08188250843387 22.990 > 121 123 Na 0.25000000000000 0.75000000000000 0.08188250843387 22.990 > 121 124 Na 0.75000000000000 0.75000000000000 0.08188250843387 22.990 > 121 125 Na 0.25000000000000 0.25000000000000 0.58188250843387 22.990 > 121 126 Na 0.75000000000000 0.25000000000000 0.58188250843387 22.990 > 121 127 Na 0.25000000000000 0.75000000000000 0.58188250843387 22.990 > 121 128 Na 0.75000000000000 0.75000000000000 0.58188250843387 22.990 > 121 129 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 129 130 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 129 131 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 129 132 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 129 133 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 129 134 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 129 135 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 129 136 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 129 137 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 > 137 138 Sn 0.75000000000000 0.25000000000000 0.25000000000000 118.710 > 137 139 Sn 0.25000000000000 0.75000000000000 0.25000000000000 118.710 > 137 140 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 > 137 141 Sn 0.25000000000000 0.25000000000000 0.75000000000000 118.710 > 137 142 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 > 137 143 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 > 137 144 Sn 0.75000000000000 0.75000000000000 0.75000000000000 118.710 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9476713 0.0000000 0.0000000 0.0000000 1.9476713 0.0000000 0.0000000 0.0000000 1.9778301 -------------------------- Born effective charges -------------------------- 1 F -1.0383977 -0.3350145 0.0000000 -0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 2 F -1.0383977 0.3350145 0.0000000 0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 3 F -1.0383977 0.3350145 0.0000000 0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 4 F -1.0383977 -0.3350145 0.0000000 -0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 5 F -0.8631803 -0.1761912 0.1930748 -0.1761912 -0.8631803 0.1930748 0.1701808 0.1701808 -1.0504250 6 F -0.8631803 -0.1761912 -0.1930748 -0.1761912 -0.8631803 -0.1930748 -0.1701808 -0.1701808 -1.0504250 7 F -0.8631803 -0.1761912 0.1930748 -0.1761912 -0.8631803 0.1930748 0.1701808 0.1701808 -1.0504250 8 F -0.8631803 0.1761912 -0.1930748 0.1761912 -0.8631803 0.1930748 -0.1701808 0.1701808 -1.0504250 9 F -0.8631803 0.1761912 0.1930748 0.1761912 -0.8631803 -0.1930748 0.1701808 -0.1701808 -1.0504250 10 F -0.8631803 0.1761912 -0.1930748 0.1761912 -0.8631803 0.1930748 -0.1701808 0.1701808 -1.0504250 11 F -0.8631803 0.1761912 0.1930748 0.1761912 -0.8631803 -0.1930748 0.1701808 -0.1701808 -1.0504250 12 F -0.8631803 -0.1761912 -0.1930748 -0.1761912 -0.8631803 -0.1930748 -0.1701808 -0.1701808 -1.0504250 13 Na 1.0778226 0.0322194 0.0000000 0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 14 Na 1.0778226 -0.0322194 0.0000000 -0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 15 Na 1.0778226 0.0322194 0.0000000 0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 16 Na 1.0778226 -0.0322194 0.0000000 -0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 17 Sn 3.3738715 0.0703406 0.0000000 0.0703406 3.3738715 0.0000000 0.0000000 0.0000000 3.3758142 18 Sn 3.3738715 -0.0703406 0.0000000 -0.0703406 3.3738715 0.0000000 0.0000000 0.0000000 3.3758142 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (xzy) 0.00000005 (xzy) 0.00000005 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (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 2026-01-07 22:41:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.081947160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.081947160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160388240000000 Atomic positions (fractional): 1 F 0.72304269462848 0.72304269462848 0.00000000000000 18.998 2 F 0.77695730537152 0.22304269462848 0.50000000000000 18.998 3 F 0.22304269462848 0.77695730537152 0.50000000000000 18.998 4 F 0.27695730537152 0.27695730537152 0.00000000000000 18.998 5 F 0.68608892056480 0.68608892056480 0.35502725986878 18.998 6 F 0.31391107943520 0.31391107943520 0.35502725986878 18.998 7 F 0.31391107943520 0.31391107943520 0.64497274013122 18.998 8 F 0.18608892056480 0.81391107943520 0.14497274013122 18.998 9 F 0.81391107943520 0.18608892056480 0.14497274013122 18.998 10 F 0.81391107943520 0.18608892056480 0.85502725986878 18.998 11 F 0.18608892056480 0.81391107943520 0.85502725986878 18.998 12 F 0.68608892056480 0.68608892056480 0.64497274013122 18.998 13 Na 0.00000000000000 0.00000000000000 0.33623498313226 22.990 14 Na 0.50000000000000 0.50000000000000 0.83623498313226 22.990 15 Na 0.00000000000000 0.00000000000000 0.66376501686774 22.990 16 Na 0.50000000000000 0.50000000000000 0.16376501686774 22.990 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 18 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.163894320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.163894320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 20.320776479999999 Atomic positions (fractional): 1 F 0.36152134731424 0.36152134731424 0.00000000000000 18.998 > 1 2 F 0.86152134731424 0.36152134731424 0.00000000000000 18.998 > 1 3 F 0.36152134731424 0.86152134731424 0.00000000000000 18.998 > 1 4 F 0.86152134731424 0.86152134731424 0.00000000000000 18.998 > 1 5 F 0.36152134731424 0.36152134731424 0.50000000000000 18.998 > 1 6 F 0.86152134731424 0.36152134731424 0.50000000000000 18.998 > 1 7 F 0.36152134731424 0.86152134731424 0.50000000000000 18.998 > 1 8 F 0.86152134731424 0.86152134731424 0.50000000000000 18.998 > 1 9 F 0.38847865268576 0.11152134731424 0.25000000000000 18.998 > 9 10 F 0.88847865268576 0.11152134731424 0.25000000000000 18.998 > 9 11 F 0.38847865268576 0.61152134731424 0.25000000000000 18.998 > 9 12 F 0.88847865268576 0.61152134731424 0.25000000000000 18.998 > 9 13 F 0.38847865268576 0.11152134731424 0.75000000000000 18.998 > 9 14 F 0.88847865268576 0.11152134731424 0.75000000000000 18.998 > 9 15 F 0.38847865268576 0.61152134731424 0.75000000000000 18.998 > 9 16 F 0.88847865268576 0.61152134731424 0.75000000000000 18.998 > 9 17 F 0.11152134731424 0.38847865268576 0.25000000000000 18.998 > 17 18 F 0.61152134731424 0.38847865268576 0.25000000000000 18.998 > 17 19 F 0.11152134731424 0.88847865268576 0.25000000000000 18.998 > 17 20 F 0.61152134731424 0.88847865268576 0.25000000000000 18.998 > 17 21 F 0.11152134731424 0.38847865268576 0.75000000000000 18.998 > 17 22 F 0.61152134731424 0.38847865268576 0.75000000000000 18.998 > 17 23 F 0.11152134731424 0.88847865268576 0.75000000000000 18.998 > 17 24 F 0.61152134731424 0.88847865268576 0.75000000000000 18.998 > 17 25 F 0.13847865268576 0.13847865268576 0.00000000000000 18.998 > 25 26 F 0.63847865268576 0.13847865268576 0.00000000000000 18.998 > 25 27 F 0.13847865268576 0.63847865268576 0.00000000000000 18.998 > 25 28 F 0.63847865268576 0.63847865268576 0.00000000000000 18.998 > 25 29 F 0.13847865268576 0.13847865268576 0.50000000000000 18.998 > 25 30 F 0.63847865268576 0.13847865268576 0.50000000000000 18.998 > 25 31 F 0.13847865268576 0.63847865268576 0.50000000000000 18.998 > 25 32 F 0.63847865268576 0.63847865268576 0.50000000000000 18.998 > 25 33 F 0.34304446028240 0.34304446028240 0.17751362993439 18.998 > 33 34 F 0.84304446028240 0.34304446028240 0.17751362993439 18.998 > 33 35 F 0.34304446028240 0.84304446028240 0.17751362993439 18.998 > 33 36 F 0.84304446028240 0.84304446028240 0.17751362993439 18.998 > 33 37 F 0.34304446028240 0.34304446028240 0.67751362993439 18.998 > 33 38 F 0.84304446028240 0.34304446028240 0.67751362993439 18.998 > 33 39 F 0.34304446028240 0.84304446028240 0.67751362993439 18.998 > 33 40 F 0.84304446028240 0.84304446028240 0.67751362993439 18.998 > 33 41 F 0.15695553971760 0.15695553971760 0.17751362993439 18.998 > 41 42 F 0.65695553971760 0.15695553971760 0.17751362993439 18.998 > 41 43 F 0.15695553971760 0.65695553971760 0.17751362993439 18.998 > 41 44 F 0.65695553971760 0.65695553971760 0.17751362993439 18.998 > 41 45 F 0.15695553971760 0.15695553971760 0.67751362993439 18.998 > 41 46 F 0.65695553971760 0.15695553971760 0.67751362993439 18.998 > 41 47 F 0.15695553971760 0.65695553971760 0.67751362993439 18.998 > 41 48 F 0.65695553971760 0.65695553971760 0.67751362993439 18.998 > 41 49 F 0.15695553971760 0.15695553971760 0.32248637006561 18.998 > 49 50 F 0.65695553971760 0.15695553971760 0.32248637006561 18.998 > 49 51 F 0.15695553971760 0.65695553971760 0.32248637006561 18.998 > 49 52 F 0.65695553971760 0.65695553971760 0.32248637006561 18.998 > 49 53 F 0.15695553971760 0.15695553971760 0.82248637006561 18.998 > 49 54 F 0.65695553971760 0.15695553971760 0.82248637006561 18.998 > 49 55 F 0.15695553971760 0.65695553971760 0.82248637006561 18.998 > 49 56 F 0.65695553971760 0.65695553971760 0.82248637006561 18.998 > 49 57 F 0.09304446028240 0.40695553971760 0.07248637006561 18.998 > 57 58 F 0.59304446028240 0.40695553971760 0.07248637006561 18.998 > 57 59 F 0.09304446028240 0.90695553971760 0.07248637006561 18.998 > 57 60 F 0.59304446028240 0.90695553971760 0.07248637006561 18.998 > 57 61 F 0.09304446028240 0.40695553971760 0.57248637006561 18.998 > 57 62 F 0.59304446028240 0.40695553971760 0.57248637006561 18.998 > 57 63 F 0.09304446028240 0.90695553971760 0.57248637006561 18.998 > 57 64 F 0.59304446028240 0.90695553971760 0.57248637006561 18.998 > 57 65 F 0.40695553971760 0.09304446028240 0.07248637006561 18.998 > 65 66 F 0.90695553971760 0.09304446028240 0.07248637006561 18.998 > 65 67 F 0.40695553971760 0.59304446028240 0.07248637006561 18.998 > 65 68 F 0.90695553971760 0.59304446028240 0.07248637006561 18.998 > 65 69 F 0.40695553971760 0.09304446028240 0.57248637006561 18.998 > 65 70 F 0.90695553971760 0.09304446028240 0.57248637006561 18.998 > 65 71 F 0.40695553971760 0.59304446028240 0.57248637006561 18.998 > 65 72 F 0.90695553971760 0.59304446028240 0.57248637006561 18.998 > 65 73 F 0.40695553971760 0.09304446028240 0.42751362993439 18.998 > 73 74 F 0.90695553971760 0.09304446028240 0.42751362993439 18.998 > 73 75 F 0.40695553971760 0.59304446028240 0.42751362993439 18.998 > 73 76 F 0.90695553971760 0.59304446028240 0.42751362993439 18.998 > 73 77 F 0.40695553971760 0.09304446028240 0.92751362993439 18.998 > 73 78 F 0.90695553971760 0.09304446028240 0.92751362993439 18.998 > 73 79 F 0.40695553971760 0.59304446028240 0.92751362993439 18.998 > 73 80 F 0.90695553971760 0.59304446028240 0.92751362993439 18.998 > 73 81 F 0.09304446028240 0.40695553971760 0.42751362993439 18.998 > 81 82 F 0.59304446028240 0.40695553971760 0.42751362993439 18.998 > 81 83 F 0.09304446028240 0.90695553971760 0.42751362993439 18.998 > 81 84 F 0.59304446028240 0.90695553971760 0.42751362993439 18.998 > 81 85 F 0.09304446028240 0.40695553971760 0.92751362993439 18.998 > 81 86 F 0.59304446028240 0.40695553971760 0.92751362993439 18.998 > 81 87 F 0.09304446028240 0.90695553971760 0.92751362993439 18.998 > 81 88 F 0.59304446028240 0.90695553971760 0.92751362993439 18.998 > 81 89 F 0.34304446028240 0.34304446028240 0.32248637006561 18.998 > 89 90 F 0.84304446028240 0.34304446028240 0.32248637006561 18.998 > 89 91 F 0.34304446028240 0.84304446028240 0.32248637006561 18.998 > 89 92 F 0.84304446028240 0.84304446028240 0.32248637006561 18.998 > 89 93 F 0.34304446028240 0.34304446028240 0.82248637006561 18.998 > 89 94 F 0.84304446028240 0.34304446028240 0.82248637006561 18.998 > 89 95 F 0.34304446028240 0.84304446028240 0.82248637006561 18.998 > 89 96 F 0.84304446028240 0.84304446028240 0.82248637006561 18.998 > 89 97 Na 0.00000000000000 0.00000000000000 0.16811749156613 22.990 > 97 98 Na 0.50000000000000 0.00000000000000 0.16811749156613 22.990 > 97 99 Na 0.00000000000000 0.50000000000000 0.16811749156613 22.990 > 97 100 Na 0.50000000000000 0.50000000000000 0.16811749156613 22.990 > 97 101 Na 0.00000000000000 0.00000000000000 0.66811749156613 22.990 > 97 102 Na 0.50000000000000 0.00000000000000 0.66811749156613 22.990 > 97 103 Na 0.00000000000000 0.50000000000000 0.66811749156613 22.990 > 97 104 Na 0.50000000000000 0.50000000000000 0.66811749156613 22.990 > 97 105 Na 0.25000000000000 0.25000000000000 0.41811749156613 22.990 > 105 106 Na 0.75000000000000 0.25000000000000 0.41811749156613 22.990 > 105 107 Na 0.25000000000000 0.75000000000000 0.41811749156613 22.990 > 105 108 Na 0.75000000000000 0.75000000000000 0.41811749156613 22.990 > 105 109 Na 0.25000000000000 0.25000000000000 0.91811749156613 22.990 > 105 110 Na 0.75000000000000 0.25000000000000 0.91811749156613 22.990 > 105 111 Na 0.25000000000000 0.75000000000000 0.91811749156613 22.990 > 105 112 Na 0.75000000000000 0.75000000000000 0.91811749156613 22.990 > 105 113 Na 0.00000000000000 0.00000000000000 0.33188250843387 22.990 > 113 114 Na 0.50000000000000 0.00000000000000 0.33188250843387 22.990 > 113 115 Na 0.00000000000000 0.50000000000000 0.33188250843387 22.990 > 113 116 Na 0.50000000000000 0.50000000000000 0.33188250843387 22.990 > 113 117 Na 0.00000000000000 0.00000000000000 0.83188250843387 22.990 > 113 118 Na 0.50000000000000 0.00000000000000 0.83188250843387 22.990 > 113 119 Na 0.00000000000000 0.50000000000000 0.83188250843387 22.990 > 113 120 Na 0.50000000000000 0.50000000000000 0.83188250843387 22.990 > 113 121 Na 0.25000000000000 0.25000000000000 0.08188250843387 22.990 > 121 122 Na 0.75000000000000 0.25000000000000 0.08188250843387 22.990 > 121 123 Na 0.25000000000000 0.75000000000000 0.08188250843387 22.990 > 121 124 Na 0.75000000000000 0.75000000000000 0.08188250843387 22.990 > 121 125 Na 0.25000000000000 0.25000000000000 0.58188250843387 22.990 > 121 126 Na 0.75000000000000 0.25000000000000 0.58188250843387 22.990 > 121 127 Na 0.25000000000000 0.75000000000000 0.58188250843387 22.990 > 121 128 Na 0.75000000000000 0.75000000000000 0.58188250843387 22.990 > 121 129 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 129 130 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 129 131 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 129 132 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 129 133 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 129 134 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 129 135 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 129 136 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 129 137 Sn 0.25000000000000 0.25000000000000 0.25000000000000 118.710 > 137 138 Sn 0.75000000000000 0.25000000000000 0.25000000000000 118.710 > 137 139 Sn 0.25000000000000 0.75000000000000 0.25000000000000 118.710 > 137 140 Sn 0.75000000000000 0.75000000000000 0.25000000000000 118.710 > 137 141 Sn 0.25000000000000 0.25000000000000 0.75000000000000 118.710 > 137 142 Sn 0.75000000000000 0.25000000000000 0.75000000000000 118.710 > 137 143 Sn 0.25000000000000 0.75000000000000 0.75000000000000 118.710 > 137 144 Sn 0.75000000000000 0.75000000000000 0.75000000000000 118.710 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9476713 0.0000000 0.0000000 0.0000000 1.9476713 0.0000000 0.0000000 0.0000000 1.9778301 -------------------------- Born effective charges -------------------------- 1 F -1.0383977 -0.3350145 0.0000000 -0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 2 F -1.0383977 0.3350145 0.0000000 0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 3 F -1.0383977 0.3350145 0.0000000 0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 4 F -1.0383977 -0.3350145 0.0000000 -0.3350145 -1.0383977 0.0000000 0.0000000 0.0000000 -0.7225997 5 F -0.8631803 -0.1761912 0.1930748 -0.1761912 -0.8631803 0.1930748 0.1701808 0.1701808 -1.0504250 6 F -0.8631803 -0.1761912 -0.1930748 -0.1761912 -0.8631803 -0.1930748 -0.1701808 -0.1701808 -1.0504250 7 F -0.8631803 -0.1761912 0.1930748 -0.1761912 -0.8631803 0.1930748 0.1701808 0.1701808 -1.0504250 8 F -0.8631803 0.1761912 -0.1930748 0.1761912 -0.8631803 0.1930748 -0.1701808 0.1701808 -1.0504250 9 F -0.8631803 0.1761912 0.1930748 0.1761912 -0.8631803 -0.1930748 0.1701808 -0.1701808 -1.0504250 10 F -0.8631803 0.1761912 -0.1930748 0.1761912 -0.8631803 0.1930748 -0.1701808 0.1701808 -1.0504250 11 F -0.8631803 0.1761912 0.1930748 0.1761912 -0.8631803 -0.1930748 0.1701808 -0.1701808 -1.0504250 12 F -0.8631803 -0.1761912 -0.1930748 -0.1761912 -0.8631803 -0.1930748 -0.1701808 -0.1701808 -1.0504250 13 Na 1.0778226 0.0322194 0.0000000 0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 14 Na 1.0778226 -0.0322194 0.0000000 -0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 15 Na 1.0778226 0.0322194 0.0000000 0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 16 Na 1.0778226 -0.0322194 0.0000000 -0.0322194 1.0778226 0.0000000 0.0000000 0.0000000 1.1355426 17 Sn 3.3738715 0.0703406 0.0000000 0.0703406 3.3738715 0.0000000 0.0000000 0.0000000 3.3758142 18 Sn 3.3738715 -0.0703406 0.0000000 -0.0703406 3.3738715 0.0000000 0.0000000 0.0000000 3.3758142 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xzy) 0.00000005 (xzy) 0.00000005 (xyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.105 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 13.918 ( 0.000 0.000 0.000) 0.000 15.608 ( 0.000 0.000 0.000) 0.000 15.608 ( 0.000 0.000 0.000) 0.000 15.722 ( 0.000 0.000 0.000) 0.000 15.722 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.521 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 17.382 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 19.979 0.000 0.000) 19.979 0.619 ( 30.385 0.000 0.000) 30.385 0.741 ( 36.348 0.000 0.000) 36.348 1.223 ( 11.226 0.000 0.000) 11.226 1.644 ( 8.092 0.000 0.000) 8.092 1.647 ( 7.140 0.000 0.000) 7.140 1.822 ( 4.240 0.000 0.000) 4.240 2.525 ( -5.349 0.000 0.000) 5.349 2.633 ( 3.975 0.000 0.000) 3.975 2.914 ( 9.124 0.000 0.000) 9.124 3.279 ( -5.164 0.000 0.000) 5.164 3.358 ( 2.769 0.000 0.000) 2.769 4.244 ( -0.497 0.000 0.000) 0.497 4.280 ( 2.779 0.000 0.000) 2.779 4.484 ( 4.071 0.000 0.000) 4.071 4.675 ( 0.321 0.000 0.000) 0.321 4.719 ( -5.648 0.000 0.000) 5.648 4.902 ( 4.078 0.000 0.000) 4.078 5.072 ( -1.040 0.000 0.000) 1.040 5.099 ( -6.156 0.000 0.000) 6.156 5.118 ( 3.574 0.000 0.000) 3.574 6.132 ( -1.078 0.000 0.000) 1.078 6.214 ( -5.360 0.000 0.000) 5.360 6.269 ( -12.900 0.000 0.000) 12.900 6.543 ( -12.333 0.000 0.000) 12.333 6.562 ( -10.865 0.000 0.000) 10.865 6.569 ( -2.672 0.000 0.000) 2.672 6.666 ( 0.573 0.000 0.000) 0.573 6.785 ( -12.381 0.000 0.000) 12.381 6.920 ( 6.831 0.000 0.000) 6.831 6.978 ( -6.583 0.000 0.000) 6.583 7.042 ( 0.508 0.000 0.000) 0.508 7.183 ( 3.669 0.000 0.000) 3.669 7.232 ( -4.576 0.000 0.000) 4.576 7.299 ( 11.649 0.000 0.000) 11.649 7.357 ( 5.888 0.000 0.000) 5.888 7.607 ( 4.990 0.000 0.000) 4.990 8.220 ( -6.748 0.000 0.000) 6.748 8.395 ( 10.638 0.000 0.000) 10.638 8.606 ( 5.673 0.000 0.000) 5.673 9.320 ( -4.713 0.000 0.000) 4.713 9.355 ( 1.552 0.000 0.000) 1.552 13.753 ( 1.424 0.000 0.000) 1.424 13.774 ( -1.069 0.000 0.000) 1.069 13.776 ( 3.623 0.000 0.000) 3.623 13.858 ( -5.384 0.000 0.000) 5.384 15.606 ( -0.153 0.000 0.000) 0.153 15.707 ( -0.600 0.000 0.000) 0.600 15.835 ( 10.640 0.000 0.000) 10.640 16.124 ( 0.918 0.000 0.000) 0.918 16.524 ( 0.328 0.000 0.000) 0.328 16.618 ( -0.103 0.000 0.000) 0.103 17.251 ( -1.531 0.000 0.000) 1.531 17.307 ( -7.353 0.000 0.000) 7.353 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 19.334 0.000 0.000) 19.334 1.174 ( 25.528 0.000 0.000) 25.528 1.381 ( 25.875 0.000 0.000) 25.875 1.518 ( 19.206 0.000 0.000) 19.206 1.846 ( 13.146 0.000 0.000) 13.146 1.850 ( 11.779 0.000 0.000) 11.779 1.948 ( 8.748 0.000 0.000) 8.748 2.403 ( -6.864 0.000 0.000) 6.864 2.724 ( 4.618 0.000 0.000) 4.618 3.090 ( 0.936 0.000 0.000) 0.936 3.187 ( 3.603 0.000 0.000) 3.603 3.452 ( 7.071 0.000 0.000) 7.071 4.240 ( 0.382 0.000 0.000) 0.382 4.342 ( 3.357 0.000 0.000) 3.357 4.572 ( -8.822 0.000 0.000) 8.822 4.593 ( 6.716 0.000 0.000) 6.716 4.675 ( -0.849 0.000 0.000) 0.849 4.955 ( -7.029 0.000 0.000) 7.029 5.013 ( 6.597 0.000 0.000) 6.597 5.036 ( -2.706 0.000 0.000) 2.706 5.209 ( 5.163 0.000 0.000) 5.163 6.014 ( -13.067 0.000 0.000) 13.067 6.052 ( -10.919 0.000 0.000) 10.919 6.091 ( -3.580 0.000 0.000) 3.580 6.229 ( -18.384 0.000 0.000) 18.384 6.278 ( -16.560 0.000 0.000) 16.560 6.440 ( -10.452 0.000 0.000) 10.452 6.612 ( -5.095 0.000 0.000) 5.095 6.637 ( -1.926 0.000 0.000) 1.926 6.865 ( -4.507 0.000 0.000) 4.507 6.943 ( -2.615 0.000 0.000) 2.615 7.124 ( -5.969 0.000 0.000) 5.969 7.172 ( 9.644 0.000 0.000) 9.644 7.272 ( 4.955 0.000 0.000) 4.955 7.483 ( 6.587 0.000 0.000) 6.587 7.507 ( 9.498 0.000 0.000) 9.498 7.709 ( 4.817 0.000 0.000) 4.817 8.089 ( -6.093 0.000 0.000) 6.093 8.646 ( 13.817 0.000 0.000) 13.817 8.710 ( 4.516 0.000 0.000) 4.516 9.196 ( -7.397 0.000 0.000) 7.397 9.387 ( 1.483 0.000 0.000) 1.483 13.744 ( -5.368 0.000 0.000) 5.368 13.745 ( -1.780 0.000 0.000) 1.780 13.794 ( 2.712 0.000 0.000) 2.712 13.866 ( 5.020 0.000 0.000) 5.020 15.602 ( -0.205 0.000 0.000) 0.205 15.690 ( -1.116 0.000 0.000) 1.116 16.093 ( 14.482 0.000 0.000) 14.482 16.152 ( 1.968 0.000 0.000) 1.968 16.534 ( 0.590 0.000 0.000) 0.590 16.616 ( -0.104 0.000 0.000) 0.104 17.110 ( -12.056 0.000 0.000) 12.056 17.205 ( -3.133 0.000 0.000) 3.133 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 18.227 0.000 0.000) 18.227 1.606 ( 18.159 0.000 0.000) 18.159 1.739 ( 13.819 0.000 0.000) 13.819 1.896 ( 14.902 0.000 0.000) 14.902 2.052 ( 8.349 0.000 0.000) 8.349 2.174 ( 18.937 0.000 0.000) 18.937 2.177 ( 13.532 0.000 0.000) 13.532 2.253 ( -8.558 0.000 0.000) 8.558 2.792 ( 2.006 0.000 0.000) 2.006 2.966 ( -7.295 0.000 0.000) 7.295 3.404 ( 12.264 0.000 0.000) 12.264 3.637 ( 11.155 0.000 0.000) 11.155 4.271 ( 3.026 0.000 0.000) 3.026 4.394 ( -8.487 0.000 0.000) 8.487 4.412 ( 3.890 0.000 0.000) 3.890 4.614 ( -4.840 0.000 0.000) 4.840 4.742 ( 8.353 0.000 0.000) 8.353 4.892 ( 1.306 0.000 0.000) 1.306 4.969 ( -3.940 0.000 0.000) 3.940 5.133 ( 4.790 0.000 0.000) 4.790 5.285 ( 0.804 0.000 0.000) 0.804 5.752 ( -13.554 0.000 0.000) 13.554 5.797 ( -14.586 0.000 0.000) 14.586 5.876 ( -15.209 0.000 0.000) 15.209 5.877 ( -18.090 0.000 0.000) 18.090 6.055 ( -5.558 0.000 0.000) 5.558 6.247 ( -7.760 0.000 0.000) 7.760 6.486 ( -7.259 0.000 0.000) 7.259 6.643 ( 1.655 0.000 0.000) 1.655 6.805 ( -1.602 0.000 0.000) 1.602 6.882 ( -3.261 0.000 0.000) 3.261 7.008 ( -5.587 0.000 0.000) 5.587 7.335 ( 6.438 0.000 0.000) 6.438 7.363 ( 3.976 0.000 0.000) 3.976 7.608 ( 5.956 0.000 0.000) 5.956 7.674 ( 7.522 0.000 0.000) 7.522 7.784 ( 2.614 0.000 0.000) 2.614 7.991 ( -3.761 0.000 0.000) 3.761 8.780 ( 2.587 0.000 0.000) 2.587 8.911 ( 12.653 0.000 0.000) 12.653 9.048 ( -7.180 0.000 0.000) 7.180 9.403 ( -0.141 0.000 0.000) 0.141 13.663 ( -2.764 0.000 0.000) 2.764 13.707 ( -1.991 0.000 0.000) 1.991 13.857 ( 3.585 0.000 0.000) 3.585 13.956 ( 3.688 0.000 0.000) 3.688 15.600 ( -0.044 0.000 0.000) 0.044 15.665 ( -1.403 0.000 0.000) 1.403 16.203 ( 3.364 0.000 0.000) 3.364 16.372 ( 13.154 0.000 0.000) 13.154 16.547 ( 0.716 0.000 0.000) 0.716 16.617 ( 0.461 0.000 0.000) 0.461 16.857 ( -13.108 0.000 0.000) 13.108 17.127 ( -4.872 0.000 0.000) 4.872 ======================= Grid point 4 (5/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 16.627 0.000 0.000) 16.627 1.886 ( 10.273 0.000 0.000) 10.273 1.949 ( 7.109 0.000 0.000) 7.109 2.058 ( -11.389 0.000 0.000) 11.389 2.112 ( 7.816 0.000 0.000) 7.816 2.179 ( 4.291 0.000 0.000) 4.291 2.421 ( 10.228 0.000 0.000) 10.228 2.478 ( 9.983 0.000 0.000) 9.983 2.808 ( -0.014 0.000 0.000) 0.014 2.852 ( -3.948 0.000 0.000) 3.948 3.624 ( 9.887 0.000 0.000) 9.887 3.825 ( 4.958 0.000 0.000) 4.958 4.293 ( 0.285 0.000 0.000) 0.285 4.351 ( 4.292 0.000 0.000) 4.292 4.495 ( 4.110 0.000 0.000) 4.110 4.547 ( -1.189 0.000 0.000) 1.189 4.893 ( -3.178 0.000 0.000) 3.178 4.917 ( 8.741 0.000 0.000) 8.741 4.979 ( 6.878 0.000 0.000) 6.878 5.164 ( -11.149 0.000 0.000) 11.149 5.184 ( 0.508 0.000 0.000) 0.508 5.494 ( -11.889 0.000 0.000) 11.889 5.504 ( -14.076 0.000 0.000) 14.076 5.516 ( -17.690 0.000 0.000) 17.690 5.738 ( 1.122 0.000 0.000) 1.122 5.945 ( -5.942 0.000 0.000) 5.942 6.164 ( -0.454 0.000 0.000) 0.454 6.340 ( -7.240 0.000 0.000) 7.240 6.689 ( 2.891 0.000 0.000) 2.891 6.799 ( 0.904 0.000 0.000) 0.904 6.818 ( -3.324 0.000 0.000) 3.324 6.909 ( -4.420 0.000 0.000) 4.420 7.420 ( 2.371 0.000 0.000) 2.371 7.421 ( 1.908 0.000 0.000) 1.908 7.712 ( 4.554 0.000 0.000) 4.554 7.803 ( 5.516 0.000 0.000) 5.516 7.809 ( -0.062 0.000 0.000) 0.062 7.936 ( -2.138 0.000 0.000) 2.138 8.818 ( 1.603 0.000 0.000) 1.603 8.927 ( -4.920 0.000 0.000) 4.920 9.132 ( 9.677 0.000 0.000) 9.677 9.375 ( -2.802 0.000 0.000) 2.802 13.634 ( -0.389 0.000 0.000) 0.389 13.670 ( -1.750 0.000 0.000) 1.750 13.929 ( 3.538 0.000 0.000) 3.538 14.000 ( 0.757 0.000 0.000) 0.757 15.602 ( 0.370 0.000 0.000) 0.370 15.637 ( -1.330 0.000 0.000) 1.330 16.288 ( 5.399 0.000 0.000) 5.399 16.555 ( 3.295 0.000 0.000) 3.295 16.561 ( 0.644 0.000 0.000) 0.644 16.613 ( -11.271 0.000 0.000) 11.271 16.680 ( 7.910 0.000 0.000) 7.910 17.012 ( -6.798 0.000 0.000) 6.798 ======================= Grid point 5 (6/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -14.385 0.000 0.000) 14.385 1.804 ( 14.385 0.000 0.000) 14.385 2.005 ( -1.612 0.000 0.000) 1.612 2.005 ( 1.612 0.000 0.000) 1.612 2.207 ( -1.688 0.000 0.000) 1.688 2.207 ( 1.688 0.000 0.000) 1.688 2.550 ( -2.169 0.000 0.000) 2.169 2.550 ( 2.169 0.000 0.000) 2.169 2.809 ( -0.666 0.000 0.000) 0.666 2.809 ( 0.666 0.000 0.000) 0.666 3.789 ( -6.525 0.000 0.000) 6.525 3.789 ( 6.525 0.000 0.000) 6.525 4.376 ( -3.427 0.000 0.000) 3.427 4.376 ( 3.427 0.000 0.000) 3.427 4.545 ( -0.511 0.000 0.000) 0.511 4.545 ( 0.511 0.000 0.000) 0.511 4.897 ( -5.310 0.000 0.000) 5.310 4.897 ( 5.310 0.000 0.000) 5.310 5.135 ( -7.115 0.000 0.000) 7.115 5.135 ( 7.115 0.000 0.000) 7.115 5.203 ( -13.366 0.000 0.000) 13.366 5.203 ( 13.366 0.000 0.000) 13.366 5.340 ( -1.129 0.000 0.000) 1.129 5.340 ( 1.129 0.000 0.000) 1.129 5.825 ( -6.004 0.000 0.000) 6.004 5.825 ( 6.004 0.000 0.000) 6.004 6.215 ( -5.032 0.000 0.000) 5.032 6.215 ( 5.032 0.000 0.000) 5.032 6.752 ( -3.334 0.000 0.000) 3.334 6.752 ( 3.334 0.000 0.000) 3.334 6.837 ( -2.864 0.000 0.000) 2.864 6.837 ( 2.864 0.000 0.000) 2.864 7.440 ( -0.086 0.000 0.000) 0.086 7.440 ( 0.086 0.000 0.000) 0.086 7.783 ( -2.548 0.000 0.000) 2.548 7.783 ( 2.548 0.000 0.000) 2.548 7.888 ( -3.151 0.000 0.000) 3.151 7.888 ( 3.151 0.000 0.000) 3.151 8.855 ( -2.504 0.000 0.000) 2.504 8.855 ( 2.504 0.000 0.000) 2.504 9.288 ( -6.137 0.000 0.000) 6.137 9.288 ( 6.137 0.000 0.000) 6.137 13.642 ( -1.041 0.000 0.000) 1.041 13.642 ( 1.041 0.000 0.000) 1.041 13.986 ( -2.051 0.000 0.000) 2.051 13.986 ( 2.051 0.000 0.000) 2.051 15.615 ( -0.914 0.000 0.000) 0.914 15.615 ( 0.914 0.000 0.000) 0.914 16.421 ( -8.216 0.000 0.000) 8.216 16.421 ( 8.216 0.000 0.000) 8.216 16.570 ( -0.243 0.000 0.000) 0.243 16.570 ( 0.243 0.000 0.000) 0.243 16.859 ( -8.794 0.000 0.000) 8.794 16.859 ( 8.794 0.000 0.000) 8.794 ======================= Grid point 12 (7/63) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 9.620 9.620 0.000) 13.605 0.555 ( 13.713 13.713 0.000) 19.393 1.261 ( 27.878 27.878 0.000) 39.426 1.326 ( 9.970 9.970 0.000) 14.100 1.606 ( 2.332 2.332 0.000) 3.297 1.826 ( 11.852 11.852 0.000) 16.761 1.859 ( 3.810 3.810 0.000) 5.389 2.519 ( -3.522 -3.522 0.000) 4.981 2.560 ( -1.810 -1.810 0.000) 2.560 3.048 ( 9.816 9.816 0.000) 13.882 3.290 ( -0.627 -0.627 0.000) 0.887 3.326 ( -0.265 -0.265 0.000) 0.375 4.235 ( -0.727 -0.727 0.000) 1.028 4.248 ( -0.265 -0.265 0.000) 0.374 4.529 ( 4.363 4.363 0.000) 6.171 4.676 ( -4.437 -4.437 0.000) 6.274 4.779 ( 3.768 3.768 0.000) 5.329 4.836 ( -1.335 -1.335 0.000) 1.888 5.067 ( -0.838 -0.838 0.000) 1.185 5.121 ( -0.859 -0.859 0.000) 1.215 5.136 ( 2.163 2.163 0.000) 3.058 6.029 ( -14.812 -14.812 0.000) 20.947 6.113 ( -2.627 -2.627 0.000) 3.715 6.118 ( -5.871 -5.871 0.000) 8.303 6.240 ( -17.649 -17.649 0.000) 24.959 6.624 ( 1.391 1.391 0.000) 1.968 6.673 ( -9.115 -9.115 0.000) 12.890 6.690 ( 0.874 0.874 0.000) 1.236 6.756 ( -1.182 -1.182 0.000) 1.672 6.899 ( -5.738 -5.738 0.000) 8.115 6.947 ( 3.637 3.637 0.000) 5.143 7.049 ( 2.962 2.962 0.000) 4.188 7.197 ( 2.857 2.857 0.000) 4.041 7.290 ( -0.256 -0.256 0.000) 0.362 7.334 ( 2.475 2.475 0.000) 3.500 7.434 ( 9.606 9.606 0.000) 13.585 7.662 ( 4.488 4.488 0.000) 6.347 8.175 ( -3.947 -3.947 0.000) 5.582 8.436 ( 4.661 4.661 0.000) 6.592 8.629 ( 2.504 2.504 0.000) 3.541 9.282 ( -4.106 -4.106 0.000) 5.806 9.381 ( 2.309 2.309 0.000) 3.266 13.740 ( -2.554 -2.554 0.000) 3.612 13.756 ( 0.861 0.861 0.000) 1.217 13.817 ( 3.433 3.433 0.000) 4.856 13.896 ( 0.793 0.793 0.000) 1.121 15.620 ( 0.584 0.584 0.000) 0.826 15.736 ( 0.755 0.755 0.000) 1.068 15.868 ( 6.181 6.181 0.000) 8.741 16.132 ( 0.892 0.892 0.000) 1.261 16.526 ( 0.173 0.173 0.000) 0.245 16.615 ( -0.212 -0.212 0.000) 0.300 17.203 ( -3.235 -3.235 0.000) 4.574 17.238 ( -6.796 -6.796 0.000) 9.611 ======================= Grid point 13 (8/63) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 29.365 -16.664 0.000) 33.763 0.864 ( 16.771 7.690 0.000) 18.450 1.571 ( 14.048 8.569 0.000) 16.455 1.723 ( 9.271 -2.022 0.000) 9.489 1.735 ( 19.132 16.644 0.000) 25.359 1.964 ( 6.864 3.531 0.000) 7.719 2.107 ( 15.992 14.395 0.000) 21.517 2.390 ( -7.405 -1.364 0.000) 7.529 2.595 ( 3.152 -9.342 0.000) 9.859 3.104 ( -5.832 -0.481 0.000) 5.852 3.304 ( 4.789 6.304 0.000) 7.917 3.450 ( 11.471 3.621 0.000) 12.029 4.225 ( 0.001 -1.391 0.000) 1.391 4.270 ( 1.788 -4.758 0.000) 5.083 4.551 ( -7.814 -2.304 0.000) 8.146 4.647 ( 7.396 5.248 0.000) 9.069 4.747 ( -2.994 3.805 0.000) 4.842 4.848 ( -2.693 -5.737 0.000) 6.337 5.030 ( -2.963 -0.813 0.000) 3.072 5.129 ( 3.936 6.593 0.000) 7.679 5.203 ( 4.011 -0.210 0.000) 4.017 5.726 ( -15.760 -17.226 0.000) 23.348 5.840 ( -18.942 -20.214 0.000) 27.703 6.042 ( -3.169 -8.522 0.000) 9.092 6.082 ( -3.525 -2.698 0.000) 4.439 6.432 ( -12.112 -1.941 0.000) 12.267 6.571 ( -6.319 6.608 0.000) 9.143 6.576 ( -11.718 12.763 0.000) 17.326 6.717 ( -2.326 -6.288 0.000) 6.704 6.813 ( -2.664 -3.672 0.000) 4.536 7.025 ( -2.962 12.323 0.000) 12.674 7.101 ( 9.372 -4.222 0.000) 10.279 7.206 ( -5.783 5.859 0.000) 8.232 7.330 ( 7.969 1.173 0.000) 8.055 7.447 ( 6.535 -2.169 0.000) 6.886 7.607 ( 7.757 9.405 0.000) 12.191 7.750 ( 3.931 3.185 0.000) 5.059 8.090 ( -4.229 -0.001 0.000) 4.229 8.588 ( 10.483 -4.477 0.000) 11.398 8.688 ( 2.964 -1.858 0.000) 3.498 9.168 ( -6.964 -2.968 0.000) 7.570 9.425 ( 1.681 3.009 0.000) 3.446 13.689 ( -2.206 -0.974 0.000) 2.411 13.789 ( 2.423 -0.051 0.000) 2.423 13.879 ( -1.995 7.476 0.000) 7.737 13.896 ( 4.207 2.503 0.000) 4.896 15.622 ( -0.210 1.650 0.000) 1.663 15.724 ( -1.284 3.132 0.000) 3.385 16.069 ( 12.503 -1.811 0.000) 12.634 16.159 ( 1.899 0.797 0.000) 2.059 16.531 ( 0.346 -0.242 0.000) 0.422 16.611 ( -0.186 -0.429 0.000) 0.467 17.056 ( -11.165 -5.355 0.000) 12.383 17.137 ( -3.660 -5.905 0.000) 6.947 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 16.751 4.167 0.000) 17.261 1.399 ( 25.228 -14.861 0.000) 29.280 1.841 ( 12.518 6.582 0.000) 14.143 1.943 ( 12.366 -3.715 0.000) 12.912 2.023 ( 10.729 6.348 0.000) 12.466 2.120 ( 8.648 2.839 0.000) 9.102 2.235 ( -8.502 -1.762 0.000) 8.683 2.401 ( 12.191 10.950 0.000) 16.387 2.660 ( 3.061 -10.943 0.000) 11.363 2.955 ( -7.758 -1.252 0.000) 7.859 3.420 ( 7.010 -1.407 0.000) 7.150 3.687 ( 10.519 5.854 0.000) 12.038 4.246 ( 1.840 -2.510 0.000) 3.112 4.299 ( 0.918 -8.330 0.000) 8.381 4.392 ( -7.123 -0.571 0.000) 7.146 4.656 ( -5.718 0.696 0.000) 5.761 4.813 ( 0.647 -5.427 0.000) 5.466 4.817 ( 9.827 7.274 0.000) 12.226 4.954 ( -4.572 -1.952 0.000) 4.971 5.207 ( -0.184 -0.827 0.000) 0.847 5.227 ( -4.644 -4.945 0.000) 6.784 5.448 ( -9.227 -9.271 0.000) 13.081 5.554 ( -6.453 -12.536 0.000) 14.100 5.953 ( -6.478 -1.427 0.000) 6.634 5.996 ( -5.410 -3.119 0.000) 6.245 6.236 ( -7.157 -1.413 0.000) 7.295 6.280 ( -17.194 18.124 0.000) 24.983 6.429 ( -7.328 4.654 0.000) 8.681 6.684 ( -0.689 -5.101 0.000) 5.148 6.788 ( 0.022 -0.706 0.000) 0.706 6.947 ( -4.553 10.405 0.000) 11.358 7.084 ( -6.321 6.154 0.000) 8.822 7.281 ( 8.172 -2.579 0.000) 8.570 7.463 ( 5.080 4.261 0.000) 6.630 7.575 ( 6.279 -2.442 0.000) 6.738 7.740 ( 5.911 7.291 0.000) 9.386 7.805 ( 1.627 1.535 0.000) 2.237 8.018 ( -2.962 2.517 0.000) 3.887 8.737 ( 2.054 -4.057 0.000) 4.547 8.822 ( 12.537 -7.747 0.000) 14.738 9.027 ( -6.913 -2.159 0.000) 7.242 9.433 ( -1.052 2.107 0.000) 2.356 13.664 ( -0.278 2.138 0.000) 2.156 13.830 ( -2.749 9.600 0.000) 9.986 13.848 ( 3.435 -0.640 0.000) 3.494 13.968 ( 2.849 1.031 0.000) 3.030 15.617 ( -0.158 1.689 0.000) 1.697 15.695 ( -1.666 2.900 0.000) 3.345 16.209 ( 3.213 0.580 0.000) 3.265 16.319 ( 12.256 -5.140 0.000) 13.291 16.540 ( 0.478 -0.743 0.000) 0.883 16.610 ( 0.191 -0.693 0.000) 0.719 16.821 ( -12.170 -3.546 0.000) 12.676 17.053 ( -4.998 -6.979 0.000) 8.584 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 15.624 1.833 0.000) 15.731 1.807 ( 15.777 -6.557 0.000) 17.085 2.026 ( 5.085 5.416 0.000) 7.429 2.047 ( -10.871 -1.159 0.000) 10.933 2.147 ( 7.230 2.808 0.000) 7.756 2.195 ( 6.106 0.961 0.000) 6.182 2.304 ( 10.751 -5.599 0.000) 12.121 2.547 ( 2.310 2.364 0.000) 3.306 2.709 ( 2.015 -9.149 0.000) 9.368 2.825 ( -5.161 -2.876 0.000) 5.909 3.577 ( 8.673 -5.016 0.000) 10.019 3.811 ( 1.204 -1.295 0.000) 1.768 4.241 ( -0.868 -3.568 0.000) 3.672 4.317 ( 1.920 -12.212 0.000) 12.362 4.341 ( 0.210 -2.731 0.000) 2.740 4.547 ( -6.090 -5.686 0.000) 8.332 4.857 ( 3.241 -7.572 0.000) 8.237 4.866 ( -3.284 -2.756 0.000) 4.287 4.973 ( -1.679 0.247 0.000) 1.697 5.060 ( -9.199 -16.670 0.000) 19.040 5.124 ( 6.039 6.787 0.000) 9.085 5.446 ( 5.055 13.094 0.000) 14.036 5.553 ( 0.857 -0.678 0.000) 1.092 5.786 ( -9.968 8.870 0.000) 13.343 5.856 ( -8.915 3.272 0.000) 9.497 5.965 ( -12.011 9.697 0.000) 15.437 6.162 ( -0.453 -0.891 0.000) 0.999 6.299 ( -5.846 -0.058 0.000) 5.846 6.697 ( 1.971 -2.017 0.000) 2.820 6.811 ( 2.239 1.555 0.000) 2.726 6.851 ( -5.010 6.518 0.000) 8.221 6.967 ( -5.440 5.012 0.000) 7.397 7.414 ( 5.423 0.768 0.000) 5.477 7.519 ( 0.644 5.568 0.000) 5.606 7.688 ( 5.078 -2.007 0.000) 5.461 7.812 ( -0.920 0.016 0.000) 0.920 7.845 ( 4.700 4.745 0.000) 6.679 7.970 ( -2.155 3.410 0.000) 4.033 8.774 ( 1.970 -4.269 0.000) 4.701 8.907 ( -5.202 -2.115 0.000) 5.616 9.059 ( 11.206 -6.605 0.000) 13.008 9.378 ( -4.597 -0.358 0.000) 4.611 13.677 ( 1.553 5.199 0.000) 5.426 13.774 ( -2.894 9.322 0.000) 9.761 13.918 ( 3.521 -0.928 0.000) 3.642 13.999 ( 0.207 -0.206 0.000) 0.291 15.619 ( 0.401 1.631 0.000) 1.680 15.662 ( -1.614 2.375 0.000) 2.872 16.290 ( 5.106 0.150 0.000) 5.108 16.515 ( 5.867 -4.642 0.000) 7.481 16.549 ( 0.462 -1.190 0.000) 1.276 16.594 ( -10.503 -1.872 0.000) 10.669 16.642 ( 4.738 -2.976 0.000) 5.595 16.938 ( -6.692 -7.201 0.000) 9.831 ======================= Grid point 16 (11/63) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -13.627 0.125 0.000) 13.628 1.805 ( 13.627 0.125 0.000) 13.628 2.018 ( -5.718 0.753 0.000) 5.768 2.018 ( 5.718 0.753 0.000) 5.768 2.236 ( -1.585 3.078 0.000) 3.462 2.236 ( 1.585 3.078 0.000) 3.462 2.496 ( -7.030 -5.268 0.000) 8.785 2.496 ( 7.030 -5.268 0.000) 8.785 2.751 ( -2.607 -5.828 0.000) 6.384 2.751 ( 2.607 -5.828 0.000) 6.384 3.740 ( -7.099 -5.224 0.000) 8.814 3.740 ( 7.099 -5.224 0.000) 8.814 4.291 ( -4.594 -6.354 0.000) 7.841 4.291 ( 4.594 -6.354 0.000) 7.841 4.406 ( -6.999 -13.218 0.000) 14.957 4.406 ( 6.999 -13.218 0.000) 14.957 4.871 ( -3.935 -0.779 0.000) 4.011 4.871 ( 3.935 -0.779 0.000) 4.011 4.932 ( -4.523 -11.166 0.000) 12.048 4.932 ( 4.523 -11.166 0.000) 12.048 5.391 ( -15.299 14.158 0.000) 20.845 5.391 ( 15.299 14.158 0.000) 20.845 5.589 ( -9.231 15.029 0.000) 17.637 5.589 ( 9.231 15.029 0.000) 17.637 5.812 ( -4.757 -0.134 0.000) 4.759 5.812 ( 4.757 -0.134 0.000) 4.759 6.201 ( -3.871 -1.280 0.000) 4.077 6.201 ( 3.871 -1.280 0.000) 4.077 6.759 ( -4.163 1.946 0.000) 4.595 6.759 ( 4.163 1.946 0.000) 4.595 6.873 ( -4.015 3.420 0.000) 5.274 6.873 ( 4.015 3.420 0.000) 5.274 7.496 ( -2.806 4.052 0.000) 4.929 7.496 ( 2.806 4.052 0.000) 4.929 7.771 ( -3.230 -1.167 0.000) 3.434 7.771 ( 3.230 -1.167 0.000) 3.434 7.922 ( -3.064 3.642 0.000) 4.760 7.922 ( 3.064 3.642 0.000) 4.760 8.824 ( -3.274 -3.132 0.000) 4.531 8.824 ( 3.274 -3.132 0.000) 4.531 9.252 ( -8.210 -3.627 0.000) 8.975 9.252 ( 8.210 -3.627 0.000) 8.976 13.719 ( -2.574 7.697 0.000) 8.116 13.719 ( 2.574 7.697 0.000) 8.116 13.977 ( -2.266 -0.844 0.000) 2.418 13.977 ( 2.266 -0.844 0.000) 2.418 15.634 ( -1.115 1.876 0.000) 2.183 15.634 ( 1.115 1.876 0.000) 2.183 16.415 ( -7.703 -0.628 0.000) 7.729 16.415 ( 7.703 -0.628 0.000) 7.729 16.554 ( -0.129 -1.743 0.000) 1.748 16.554 ( 0.129 -1.743 0.000) 1.748 16.790 ( -8.243 -6.627 0.000) 10.577 16.790 ( 8.243 -6.627 0.000) 10.577 ======================= Grid point 24 (12/63) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 9.254 9.254 0.000) 13.088 1.061 ( 11.807 11.807 0.000) 16.697 1.722 ( 4.788 4.788 0.000) 6.771 1.798 ( 11.542 11.542 0.000) 16.323 2.022 ( 11.355 11.355 0.000) 16.058 2.057 ( 5.987 5.987 0.000) 8.467 2.330 ( -5.793 -5.793 0.000) 8.193 2.393 ( 12.933 12.933 0.000) 18.290 2.452 ( -3.575 -3.575 0.000) 5.056 3.050 ( -5.426 -5.426 0.000) 7.674 3.316 ( -0.205 -0.205 0.000) 0.290 3.654 ( 11.623 11.623 0.000) 16.438 4.194 ( -1.317 -1.317 0.000) 1.863 4.197 ( -2.849 -2.849 0.000) 4.030 4.473 ( -5.484 -5.484 0.000) 7.755 4.739 ( -5.866 -5.866 0.000) 8.296 4.755 ( -2.675 -2.675 0.000) 3.783 4.791 ( 9.188 9.188 0.000) 12.994 4.982 ( -4.461 -4.461 0.000) 6.309 5.190 ( -6.044 -6.044 0.000) 8.547 5.223 ( 2.115 2.115 0.000) 2.991 5.458 ( -3.615 -3.615 0.000) 5.112 5.480 ( -14.608 -14.608 0.000) 20.659 5.901 ( -4.439 -4.439 0.000) 6.277 6.010 ( -4.620 -4.620 0.000) 6.534 6.334 ( -8.012 -8.012 0.000) 11.331 6.554 ( -3.523 -3.523 0.000) 4.983 6.734 ( 1.249 1.249 0.000) 1.766 6.739 ( 2.157 2.157 0.000) 3.050 6.745 ( -1.554 -1.554 0.000) 2.198 7.059 ( 1.956 1.956 0.000) 2.766 7.233 ( 4.776 4.776 0.000) 6.754 7.259 ( -1.165 -1.165 0.000) 1.648 7.348 ( 4.353 4.353 0.000) 6.156 7.462 ( 3.783 3.783 0.000) 5.350 7.799 ( 8.804 8.804 0.000) 12.450 7.805 ( 2.019 2.019 0.000) 2.855 8.085 ( -0.443 -0.443 0.000) 0.627 8.543 ( 1.513 1.513 0.000) 2.140 8.652 ( -1.532 -1.532 0.000) 2.166 9.081 ( -5.561 -5.561 0.000) 7.865 9.471 ( 0.973 0.973 0.000) 1.375 13.696 ( 1.575 1.575 0.000) 2.228 13.801 ( 1.347 1.347 0.000) 1.904 13.948 ( 2.542 2.542 0.000) 3.594 13.997 ( 4.082 4.082 0.000) 5.773 15.650 ( 0.881 0.881 0.000) 1.246 15.782 ( 1.542 1.542 0.000) 2.180 16.067 ( 2.906 2.906 0.000) 4.110 16.183 ( 1.661 1.661 0.000) 2.350 16.525 ( -0.396 -0.396 0.000) 0.560 16.601 ( -0.513 -0.513 0.000) 0.726 16.912 ( -8.845 -8.845 0.000) 12.509 17.010 ( -6.533 -6.533 0.000) 9.239 ======================= Grid point 25 (13/63) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 25.056 -10.380 0.000) 27.121 1.310 ( 13.118 7.172 0.000) 14.951 1.859 ( 9.189 -0.794 0.000) 9.223 2.038 ( 11.625 10.375 0.000) 15.581 2.166 ( 5.132 6.854 0.000) 8.562 2.184 ( -8.107 -3.484 0.000) 8.824 2.205 ( 6.715 4.761 0.000) 8.232 2.439 ( 1.267 -10.276 0.000) 10.354 2.565 ( 3.805 4.875 0.000) 6.184 2.903 ( -8.697 -4.514 0.000) 9.799 3.352 ( 3.663 -3.785 0.000) 5.267 3.798 ( 1.962 2.856 0.000) 3.465 4.139 ( -3.368 -7.621 0.000) 8.332 4.183 ( -0.179 -3.268 0.000) 3.273 4.354 ( -5.802 -3.511 0.000) 6.782 4.564 ( -11.949 -10.990 0.000) 16.234 4.718 ( -0.873 -4.412 0.000) 4.498 4.871 ( -5.355 -5.415 0.000) 7.615 4.941 ( -12.326 -15.748 0.000) 19.999 4.986 ( 7.916 7.752 0.000) 11.079 5.204 ( -1.747 5.112 0.000) 5.403 5.389 ( 4.946 -4.761 0.000) 6.865 5.568 ( 9.146 12.492 0.000) 15.482 5.852 ( -1.311 -5.070 0.000) 5.237 5.907 ( -5.615 -5.391 0.000) 7.784 6.174 ( -6.698 -5.121 0.000) 8.432 6.513 ( -2.762 -0.969 0.000) 2.928 6.587 ( -11.783 12.413 0.000) 17.114 6.698 ( -2.736 9.827 0.000) 10.201 6.793 ( 2.659 0.784 0.000) 2.773 7.109 ( -1.661 2.341 0.000) 2.870 7.192 ( -5.210 3.475 0.000) 6.263 7.279 ( 5.574 4.876 0.000) 7.406 7.492 ( 6.987 -0.339 0.000) 6.995 7.553 ( 5.050 1.111 0.000) 5.171 7.823 ( -0.126 -0.021 0.000) 0.128 7.932 ( 4.599 10.590 0.000) 11.546 8.075 ( -0.605 2.845 0.000) 2.908 8.635 ( 0.020 -5.902 0.000) 5.902 8.666 ( 10.255 -6.575 0.000) 12.182 8.963 ( -6.234 -4.347 0.000) 7.600 9.449 ( -3.334 -1.093 0.000) 3.508 13.749 ( 3.657 6.186 0.000) 7.186 13.841 ( 2.622 0.110 0.000) 2.625 13.986 ( 1.172 0.653 0.000) 1.342 14.036 ( 0.002 10.347 0.000) 10.347 15.657 ( 0.018 1.981 0.000) 1.981 15.772 ( -1.944 4.679 0.000) 5.066 16.188 ( 8.321 -7.508 0.000) 11.208 16.226 ( 2.743 1.178 0.000) 2.986 16.517 ( -0.363 -1.571 0.000) 1.612 16.592 ( -0.328 -0.990 0.000) 1.043 16.725 ( -9.714 -5.911 0.000) 11.371 16.883 ( -6.412 -9.424 0.000) 11.398 ======================= Grid point 26 (14/63) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 12.883 3.372 0.000) 13.317 1.624 ( 23.571 -11.834 0.000) 26.374 2.014 ( -9.392 -2.116 0.000) 9.627 2.062 ( 9.702 -2.936 0.000) 10.136 2.185 ( 0.882 1.845 0.000) 2.045 2.253 ( 6.145 6.290 0.000) 8.794 2.312 ( 4.149 5.085 0.000) 6.563 2.490 ( 3.815 -12.112 0.000) 12.699 2.540 ( -5.914 -3.209 0.000) 6.728 2.732 ( -8.230 -6.721 0.000) 10.626 3.452 ( 6.335 -6.638 0.000) 9.176 3.745 ( -6.299 -6.207 0.000) 8.843 4.073 ( -2.450 -12.028 0.000) 12.274 4.169 ( -0.572 -3.418 0.000) 3.466 4.260 ( -4.152 -4.346 0.000) 6.010 4.290 ( -13.909 -18.845 0.000) 23.422 4.721 ( 0.984 -6.341 0.000) 6.417 4.792 ( -3.674 -9.759 0.000) 10.428 4.823 ( 0.848 -0.402 0.000) 0.938 4.977 ( -4.841 1.478 0.000) 5.061 5.360 ( 12.537 9.604 0.000) 15.793 5.532 ( 7.970 2.393 0.000) 8.321 5.734 ( 6.650 14.372 0.000) 15.836 5.808 ( -2.912 -2.847 0.000) 4.072 5.833 ( -0.795 -1.660 0.000) 1.841 6.108 ( 0.656 -3.788 0.000) 3.844 6.292 ( -17.439 17.809 0.000) 24.926 6.388 ( -9.057 6.119 0.000) 10.930 6.725 ( 4.941 6.780 0.000) 8.390 6.859 ( 4.164 2.967 0.000) 5.113 7.006 ( -7.194 7.636 0.000) 10.491 7.074 ( -6.316 5.073 0.000) 8.101 7.426 ( 7.513 0.468 0.000) 7.528 7.579 ( 1.427 0.636 0.000) 1.563 7.654 ( 5.012 -0.915 0.000) 5.095 7.801 ( -2.082 -1.167 0.000) 2.387 7.993 ( 2.173 9.328 0.000) 9.577 8.060 ( -1.013 5.253 0.000) 5.350 8.661 ( 2.678 -6.986 0.000) 7.482 8.843 ( -5.853 -4.364 0.000) 7.301 8.904 ( 12.927 -8.520 0.000) 15.482 9.338 ( -7.810 -3.988 0.000) 8.769 13.834 ( 4.809 10.312 0.000) 11.378 13.899 ( 3.120 -0.839 0.000) 3.231 13.990 ( -0.822 -0.731 0.000) 1.100 14.005 ( -2.943 13.408 0.000) 13.727 15.660 ( 0.580 2.330 0.000) 2.401 15.726 ( -2.439 4.018 0.000) 4.700 16.294 ( 4.264 0.327 0.000) 4.276 16.357 ( 8.134 -10.917 0.000) 13.614 16.509 ( -0.620 -3.306 0.000) 3.364 16.544 ( -8.473 -3.164 0.000) 9.044 16.593 ( 0.649 -1.962 0.000) 2.067 16.756 ( -6.514 -10.221 0.000) 12.121 ======================= Grid point 27 (15/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -11.463 0.282 0.000) 11.466 1.809 ( 11.463 0.282 0.000) 11.466 1.996 ( -13.308 -4.154 0.000) 13.942 1.996 ( 13.308 -4.154 0.000) 13.942 2.320 ( -3.878 1.636 0.000) 4.209 2.320 ( 3.878 1.636 0.000) 4.209 2.370 ( -6.776 -3.070 0.000) 7.439 2.370 ( 6.776 -3.070 0.000) 7.439 2.589 ( -6.232 -10.287 0.000) 12.027 2.589 ( 6.232 -10.287 0.000) 12.027 3.595 ( -7.974 -8.518 0.000) 11.668 3.595 ( 7.974 -8.518 0.000) 11.668 4.091 ( -5.339 -17.093 0.000) 17.907 4.091 ( 5.339 -17.093 0.000) 17.907 4.189 ( -2.642 -3.820 0.000) 4.645 4.189 ( 2.642 -3.820 0.000) 4.645 4.748 ( -1.607 -7.885 0.000) 8.047 4.748 ( 1.607 -7.885 0.000) 8.047 4.882 ( -4.410 1.707 0.000) 4.729 4.882 ( 4.410 1.707 0.000) 4.729 5.555 ( -6.302 -0.015 0.000) 6.302 5.555 ( 6.302 -0.015 0.000) 6.302 5.812 ( -1.784 6.019 0.000) 6.278 5.812 ( 1.784 6.019 0.000) 6.278 5.944 ( -16.056 15.293 0.000) 22.174 5.944 ( 16.056 15.293 0.000) 22.174 6.206 ( -8.357 3.462 0.000) 9.045 6.206 ( 8.357 3.462 0.000) 9.045 6.855 ( -7.666 7.507 0.000) 10.730 6.855 ( 7.666 7.507 0.000) 10.730 6.955 ( -5.534 4.434 0.000) 7.091 6.955 ( 5.534 4.434 0.000) 7.091 7.547 ( -4.363 0.900 0.000) 4.455 7.547 ( 4.363 0.900 0.000) 4.455 7.742 ( -3.853 -1.488 0.000) 4.130 7.742 ( 3.853 -1.488 0.000) 4.130 8.032 ( -1.799 6.996 0.000) 7.224 8.032 ( 1.799 6.996 0.000) 7.224 8.736 ( -4.812 -5.622 0.000) 7.400 8.736 ( 4.812 -5.622 0.000) 7.400 9.147 ( -11.380 -6.886 0.000) 13.301 9.147 ( 11.380 -6.886 0.000) 13.301 13.929 ( -4.592 13.065 0.000) 13.849 13.929 ( 4.592 13.065 0.000) 13.849 13.956 ( -2.485 -1.208 0.000) 2.764 13.956 ( 2.485 -1.208 0.000) 2.764 15.683 ( -1.750 2.934 0.000) 3.416 15.683 ( 1.750 2.934 0.000) 3.416 16.398 ( -6.310 -1.066 0.000) 6.400 16.398 ( 6.310 -1.066 0.000) 6.400 16.477 ( -3.422 -7.591 0.000) 8.327 16.477 ( 3.422 -7.591 0.000) 8.327 16.639 ( -4.581 -6.600 0.000) 8.034 16.639 ( 4.581 -6.600 0.000) 8.034 ======================= Grid point 36 (16/63) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 7.736 7.736 0.000) 10.940 1.468 ( 8.719 8.719 0.000) 12.331 1.893 ( 4.280 4.280 0.000) 6.053 2.093 ( -5.835 -5.835 0.000) 8.252 2.242 ( -0.442 -0.442 0.000) 0.625 2.246 ( 9.877 9.877 0.000) 13.969 2.291 ( -4.342 -4.342 0.000) 6.141 2.319 ( 7.439 7.439 0.000) 10.521 2.573 ( -4.016 -4.016 0.000) 5.680 2.765 ( -9.318 -9.318 0.000) 13.178 3.312 ( -0.034 -0.034 0.000) 0.048 3.751 ( -6.960 -6.960 0.000) 9.842 3.994 ( -7.422 -7.422 0.000) 10.496 4.137 ( -1.506 -1.506 0.000) 2.129 4.237 ( -19.489 -19.489 0.000) 27.561 4.267 ( -4.731 -4.731 0.000) 6.691 4.646 ( -2.663 -2.663 0.000) 3.765 4.729 ( -6.521 -6.521 0.000) 9.222 4.811 ( -0.151 -0.151 0.000) 0.213 5.066 ( 0.399 0.399 0.000) 0.564 5.298 ( 1.678 1.678 0.000) 2.374 5.475 ( 13.675 13.675 0.000) 19.339 5.792 ( -1.183 -1.183 0.000) 1.673 5.806 ( -3.658 -3.658 0.000) 5.173 5.829 ( 13.168 13.168 0.000) 18.623 6.052 ( -6.147 -6.147 0.000) 8.693 6.514 ( 0.906 0.906 0.000) 1.282 6.767 ( 2.179 2.179 0.000) 3.081 6.781 ( 1.061 1.061 0.000) 1.501 6.864 ( 4.552 4.552 0.000) 6.437 7.109 ( 0.673 0.673 0.000) 0.951 7.205 ( -1.632 -1.632 0.000) 2.308 7.393 ( 3.320 3.320 0.000) 4.695 7.505 ( 3.359 3.359 0.000) 4.750 7.612 ( 3.594 3.594 0.000) 5.083 7.804 ( -1.627 -1.627 0.000) 2.300 8.113 ( 6.966 6.966 0.000) 9.851 8.121 ( 1.847 1.847 0.000) 2.612 8.527 ( -4.192 -4.192 0.000) 5.929 8.616 ( 2.357 2.357 0.000) 3.333 8.862 ( -5.782 -5.782 0.000) 8.177 9.380 ( -5.946 -5.946 0.000) 8.409 13.855 ( 1.297 1.297 0.000) 1.835 13.895 ( 8.398 8.398 0.000) 11.877 13.990 ( -0.380 -0.380 0.000) 0.537 14.206 ( 6.341 6.341 0.000) 8.967 15.685 ( 0.878 0.878 0.000) 1.241 15.852 ( 1.878 1.878 0.000) 2.656 16.069 ( -2.677 -2.677 0.000) 3.786 16.256 ( 1.912 1.912 0.000) 2.704 16.473 ( -3.100 -3.100 0.000) 4.384 16.573 ( -0.884 -0.884 0.000) 1.251 16.599 ( -6.571 -6.571 0.000) 9.293 16.708 ( -7.751 -7.751 0.000) 10.962 ======================= Grid point 37 (17/63) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 21.075 -9.365 0.000) 23.063 1.645 ( 9.022 4.370 0.000) 10.025 1.965 ( -7.012 -2.902 0.000) 7.589 2.018 ( 7.941 -0.666 0.000) 7.969 2.143 ( -9.988 -6.752 0.000) 12.056 2.269 ( 2.039 -9.500 0.000) 9.716 2.403 ( 2.233 4.848 0.000) 5.338 2.429 ( -6.022 -4.619 0.000) 7.590 2.455 ( 5.256 8.649 0.000) 10.120 2.559 ( -10.886 -10.647 0.000) 15.227 3.347 ( 3.415 -3.634 0.000) 4.987 3.587 ( -8.457 -8.620 0.000) 12.076 3.851 ( -6.539 -10.620 0.000) 12.471 3.902 ( -12.653 -18.563 0.000) 22.465 4.116 ( -0.458 -2.091 0.000) 2.140 4.182 ( -3.742 -3.680 0.000) 5.249 4.615 ( -0.569 -4.231 0.000) 4.269 4.647 ( -2.417 -5.518 0.000) 6.024 4.850 ( 3.490 2.735 0.000) 4.434 5.020 ( -4.080 2.291 0.000) 4.679 5.373 ( 5.506 -2.576 0.000) 6.079 5.596 ( -3.425 -2.830 0.000) 4.443 5.794 ( 1.262 -1.472 0.000) 1.939 5.916 ( -4.420 0.385 0.000) 4.437 5.932 ( 17.113 16.721 0.000) 23.926 6.111 ( 12.210 8.140 0.000) 14.675 6.492 ( -4.409 4.534 0.000) 6.325 6.608 ( -12.704 13.946 0.000) 18.865 6.902 ( 6.248 0.514 0.000) 6.269 6.916 ( 3.287 10.353 0.000) 10.862 7.109 ( -2.562 2.248 0.000) 3.409 7.139 ( -4.898 1.157 0.000) 5.033 7.454 ( 4.683 2.733 0.000) 5.422 7.577 ( 1.899 0.173 0.000) 1.906 7.670 ( 2.660 2.620 0.000) 3.733 7.770 ( -1.906 -1.791 0.000) 2.616 8.145 ( 0.937 4.466 0.000) 4.563 8.186 ( 0.331 8.295 0.000) 8.301 8.511 ( 2.901 -7.932 0.000) 8.446 8.739 ( -6.541 -6.009 0.000) 8.882 8.753 ( 10.601 -5.899 0.000) 12.132 9.219 ( -10.257 -8.104 0.000) 13.072 13.890 ( 2.132 -0.065 0.000) 2.133 13.971 ( -1.491 -1.182 0.000) 1.903 14.065 ( 8.474 12.695 0.000) 15.263 14.270 ( -0.019 12.654 0.000) 12.654 15.700 ( 1.027 1.410 0.000) 1.744 15.814 ( -4.068 4.763 0.000) 6.264 16.119 ( 5.994 -12.402 0.000) 13.775 16.304 ( 2.962 0.657 0.000) 3.034 16.384 ( -5.978 -9.756 0.000) 11.442 16.476 ( -5.809 -3.559 0.000) 6.813 16.560 ( -0.385 -1.416 0.000) 1.468 16.598 ( -3.353 -4.702 0.000) 5.776 ======================= Grid point 38 (18/63) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -8.182 0.384 0.000) 8.191 1.816 ( 8.182 0.384 0.000) 8.191 1.825 ( -20.615 -12.789 0.000) 24.260 1.825 ( 20.615 -12.789 0.000) 24.260 2.210 ( -10.453 -5.396 0.000) 11.763 2.210 ( 10.453 -5.396 0.000) 11.763 2.368 ( -7.823 -11.422 0.000) 13.844 2.368 ( 7.823 -11.422 0.000) 13.844 2.494 ( -1.471 8.417 0.000) 8.544 2.494 ( 1.471 8.417 0.000) 8.544 3.441 ( -6.138 -6.573 0.000) 8.994 3.441 ( 6.138 -6.573 0.000) 8.994 3.777 ( -0.308 -14.321 0.000) 14.325 3.777 ( 0.308 -14.321 0.000) 14.325 4.127 ( -1.686 -2.716 0.000) 3.197 4.127 ( 1.686 -2.716 0.000) 3.197 4.618 ( -0.762 -5.242 0.000) 5.297 4.618 ( 0.762 -5.242 0.000) 5.297 4.932 ( -4.572 3.147 0.000) 5.551 4.932 ( 4.572 3.147 0.000) 5.551 5.491 ( -6.075 -4.557 0.000) 7.594 5.491 ( 6.075 -4.557 0.000) 7.594 5.838 ( -3.152 -1.376 0.000) 3.439 5.838 ( 3.152 -1.376 0.000) 3.439 6.297 ( -18.184 18.353 0.000) 25.835 6.297 ( 18.184 18.353 0.000) 25.835 6.340 ( -10.326 8.535 0.000) 13.397 6.340 ( 10.326 8.535 0.000) 13.397 7.015 ( -5.930 7.428 0.000) 9.505 7.015 ( 5.930 7.428 0.000) 9.505 7.025 ( -6.249 2.082 0.000) 6.587 7.025 ( 6.249 2.082 0.000) 6.587 7.553 ( -4.045 0.628 0.000) 4.093 7.553 ( 4.045 0.628 0.000) 4.093 7.724 ( -2.696 -0.042 0.000) 2.696 7.724 ( 2.696 -0.042 0.000) 2.696 8.167 ( -1.385 6.127 0.000) 6.282 8.167 ( 1.385 6.127 0.000) 6.282 8.610 ( -6.318 -6.923 0.000) 9.372 8.610 ( 6.318 -6.923 0.000) 9.372 8.990 ( -12.511 -8.766 0.000) 15.277 8.990 ( 12.511 -8.766 0.000) 15.277 13.934 ( -2.194 -1.017 0.000) 2.418 13.934 ( 2.194 -1.017 0.000) 2.418 14.210 ( -5.709 14.840 0.000) 15.900 14.210 ( 5.709 14.840 0.000) 15.900 15.739 ( -3.068 2.394 0.000) 3.891 15.739 ( 3.068 2.394 0.000) 3.891 16.252 ( -7.052 -13.373 0.000) 15.118 16.252 ( 7.052 -13.373 0.000) 15.118 16.375 ( -4.370 -1.128 0.000) 4.513 16.375 ( 4.370 -1.128 0.000) 4.513 16.562 ( -0.723 -2.208 0.000) 2.323 16.562 ( 0.723 -2.208 0.000) 2.323 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 4.492 4.492 0.000) 6.352 1.735 ( 4.648 4.648 0.000) 6.573 1.900 ( -3.629 -3.629 0.000) 5.133 1.906 ( -16.573 -16.573 0.000) 23.438 2.042 ( 2.991 2.991 0.000) 4.230 2.144 ( -2.694 -2.694 0.000) 3.810 2.266 ( -7.531 -7.531 0.000) 10.651 2.339 ( -10.744 -10.744 0.000) 15.195 2.559 ( 6.800 6.800 0.000) 9.616 2.610 ( 5.903 5.903 0.000) 8.349 3.313 ( 0.065 0.065 0.000) 0.092 3.438 ( -6.212 -6.212 0.000) 8.786 3.614 ( -9.716 -9.716 0.000) 13.740 3.657 ( -8.678 -8.678 0.000) 12.273 4.085 ( -1.039 -1.039 0.000) 1.470 4.118 ( -2.715 -2.715 0.000) 3.839 4.557 ( -1.747 -1.747 0.000) 2.471 4.569 ( -2.494 -2.494 0.000) 3.528 4.918 ( 3.905 3.905 0.000) 5.523 5.041 ( -0.749 -0.749 0.000) 1.059 5.351 ( 0.956 0.956 0.000) 1.351 5.504 ( -5.231 -5.231 0.000) 7.397 5.783 ( 0.332 0.332 0.000) 0.469 5.861 ( -3.407 -3.407 0.000) 4.819 6.299 ( 18.617 18.617 0.000) 26.328 6.321 ( 10.580 10.580 0.000) 14.962 6.549 ( 0.500 0.500 0.000) 0.707 6.814 ( 0.568 0.568 0.000) 0.803 6.873 ( 2.650 2.650 0.000) 3.747 7.066 ( 3.989 3.989 0.000) 5.641 7.118 ( -3.202 -3.202 0.000) 4.528 7.120 ( 0.027 0.027 0.000) 0.038 7.517 ( 3.718 3.718 0.000) 5.259 7.605 ( 1.689 1.689 0.000) 2.388 7.728 ( 2.157 2.157 0.000) 3.050 7.745 ( -0.394 -0.394 0.000) 0.557 8.208 ( 2.481 2.481 0.000) 3.509 8.332 ( 3.944 3.944 0.000) 5.578 8.372 ( -3.253 -3.253 0.000) 4.600 8.612 ( -6.755 -6.755 0.000) 9.554 8.708 ( 1.931 1.931 0.000) 2.731 9.030 ( -10.646 -10.646 0.000) 15.055 13.897 ( 0.781 0.781 0.000) 1.105 13.945 ( -1.393 -1.393 0.000) 1.970 14.310 ( 11.479 11.479 0.000) 16.234 14.465 ( 6.110 6.110 0.000) 8.641 15.715 ( 0.567 0.567 0.000) 0.802 15.892 ( -5.658 -5.658 0.000) 8.002 15.918 ( 1.315 1.315 0.000) 1.859 16.177 ( -9.850 -9.850 0.000) 13.930 16.322 ( 1.290 1.290 0.000) 1.824 16.409 ( -3.117 -3.117 0.000) 4.408 16.538 ( -0.762 -0.762 0.000) 1.078 16.546 ( -1.366 -1.366 0.000) 1.933 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -16.599 -12.188 0.000) 20.593 1.558 ( 16.599 -12.188 0.000) 20.593 1.823 ( -4.218 0.303 0.000) 4.229 1.823 ( 4.218 0.303 0.000) 4.229 2.132 ( -5.906 -2.672 0.000) 6.482 2.132 ( 5.906 -2.672 0.000) 6.482 2.172 ( -5.459 -7.646 0.000) 9.395 2.172 ( 5.459 -7.646 0.000) 9.395 2.653 ( -1.820 6.953 0.000) 7.188 2.653 ( 1.820 6.953 0.000) 7.188 3.345 ( -3.181 -3.178 0.000) 4.496 3.345 ( 3.181 -3.178 0.000) 4.496 3.541 ( -2.019 -9.257 0.000) 9.475 3.541 ( 2.019 -9.257 0.000) 9.475 4.082 ( -0.840 -1.789 0.000) 1.977 4.082 ( 0.840 -1.789 0.000) 1.977 4.543 ( -0.296 -2.405 0.000) 2.424 4.543 ( 0.296 -2.405 0.000) 2.424 4.994 ( -3.533 2.767 0.000) 4.488 4.994 ( 3.533 2.767 0.000) 4.488 5.407 ( -4.288 -3.469 0.000) 5.515 5.407 ( 4.288 -3.469 0.000) 5.515 5.807 ( -2.042 -1.336 0.000) 2.440 5.807 ( 2.042 -1.336 0.000) 2.440 6.492 ( -6.249 6.145 0.000) 8.765 6.492 ( 6.249 6.145 0.000) 8.765 6.627 ( -14.097 14.622 0.000) 20.311 6.627 ( 14.097 14.622 0.000) 20.311 7.017 ( -6.860 -3.199 0.000) 7.570 7.017 ( 6.860 -3.199 0.000) 7.570 7.108 ( -1.453 1.932 0.000) 2.417 7.108 ( 1.453 1.932 0.000) 2.417 7.594 ( -3.023 3.287 0.000) 4.465 7.594 ( 3.023 3.287 0.000) 4.465 7.746 ( -0.401 1.932 0.000) 1.973 7.746 ( 0.401 1.932 0.000) 1.973 8.262 ( -3.499 3.461 0.000) 4.922 8.262 ( 3.499 3.461 0.000) 4.922 8.479 ( -6.713 -5.873 0.000) 8.919 8.479 ( 6.713 -5.873 0.000) 8.919 8.825 ( -9.214 -7.100 0.000) 11.632 8.825 ( 9.214 -7.100 0.000) 11.632 13.918 ( -1.291 -0.535 0.000) 1.397 13.918 ( 1.291 -0.535 0.000) 1.397 14.480 ( -4.668 11.473 0.000) 12.386 14.480 ( 4.668 11.473 0.000) 12.386 15.758 ( -4.593 -1.036 0.000) 4.708 15.758 ( 4.593 -1.036 0.000) 4.708 16.020 ( -6.302 -8.508 0.000) 10.587 16.020 ( 6.302 -8.508 0.000) 10.587 16.356 ( -2.207 -0.728 0.000) 2.324 16.356 ( 2.207 -0.728 0.000) 2.324 16.532 ( -0.166 -0.978 0.000) 0.992 16.532 ( 0.166 -0.978 0.000) 0.992 ======================= Grid point 65 (21/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 5.024 ( -0.000 -0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 6.557 ( -0.000 -0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.825 ( -0.000 -0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.411 ( -0.000 -0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.748 ( -0.000 -0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 14.606 ( 0.000 0.000 0.000) 0.000 14.606 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 0.000) 0.000 15.945 ( 0.000 0.000 0.000) 0.000 15.945 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 0.000 18.975) 18.975 0.374 ( 0.000 0.000 18.975) 18.975 0.886 ( 0.000 0.000 43.918) 43.918 1.174 ( 0.000 0.000 6.704) 6.704 1.422 ( -0.000 -0.000 -12.591) 12.591 1.422 ( 0.000 0.000 -12.591) 12.591 1.716 ( 0.000 0.000 -6.223) 6.223 2.684 ( 0.000 0.000 7.960) 7.960 2.684 ( -0.000 -0.000 7.960) 7.960 2.721 ( -0.000 -0.000 -10.269) 10.269 3.305 ( 0.000 0.000 -2.632) 2.632 3.305 ( 0.000 0.000 -2.632) 2.632 4.287 ( 0.000 -0.000 3.684) 3.684 4.287 ( 0.000 0.000 3.684) 3.684 4.304 ( 0.000 0.000 5.277) 5.277 4.491 ( 0.000 0.000 6.721) 6.721 4.729 ( 0.000 0.000 -4.753) 4.753 4.837 ( 0.000 0.000 -2.768) 2.768 4.837 ( 0.000 0.000 -2.768) 2.768 5.025 ( 0.000 0.000 -4.504) 4.504 5.025 ( -0.000 0.000 -4.504) 4.504 5.930 ( -0.000 -0.000 -32.772) 32.772 6.343 ( 0.000 0.000 7.198) 7.198 6.343 ( 0.000 0.000 7.198) 7.198 6.690 ( -0.000 -0.000 8.942) 8.942 6.691 ( 0.000 0.000 1.297) 1.297 6.691 ( 0.000 0.000 1.297) 1.297 6.863 ( 0.000 0.000 2.146) 2.146 7.003 ( 0.000 0.000 -3.747) 3.747 7.003 ( 0.000 0.000 -3.747) 3.747 7.027 ( 0.000 0.000 -1.696) 1.696 7.032 ( 0.000 0.000 16.794) 16.794 7.105 ( 0.000 0.000 -3.673) 3.673 7.105 ( 0.000 0.000 -3.673) 3.673 7.315 ( -0.000 -0.000 2.264) 2.264 7.315 ( 0.000 0.000 2.264) 2.264 7.342 ( 0.000 0.000 0.107) 0.107 7.553 ( 0.000 0.000 0.311) 0.311 8.347 ( -0.000 -0.000 4.392) 4.392 9.082 ( 0.000 0.000 -14.835) 14.835 9.571 ( 0.000 0.000 9.670) 9.670 9.918 ( 0.000 0.000 -2.283) 2.283 13.740 ( 0.000 0.000 0.137) 0.137 13.740 ( 0.000 -0.000 0.137) 0.137 13.797 ( 0.000 0.000 1.234) 1.234 13.906 ( 0.000 0.000 -1.271) 1.271 15.615 ( 0.000 0.000 0.663) 0.663 15.615 ( -0.000 0.000 0.663) 0.663 15.714 ( -0.000 -0.000 -0.755) 0.755 15.714 ( 0.000 0.000 -0.755) 0.755 16.530 ( 0.000 0.000 0.838) 0.838 16.609 ( 0.000 0.000 -1.011) 1.011 17.396 ( 0.000 0.000 1.369) 1.369 17.506 ( -0.000 -0.000 -1.216) 1.216 ======================= Grid point 122 (23/63) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 16.989 0.000 13.682) 21.813 0.715 ( 25.365 0.000 9.038) 26.927 1.104 ( 20.725 0.000 32.683) 38.701 1.280 ( 10.127 0.000 5.551) 11.549 1.517 ( 9.121 0.000 -11.462) 14.648 1.523 ( 9.444 0.000 -11.007) 14.504 1.761 ( 4.427 0.000 -5.868) 7.350 2.580 ( -5.392 0.000 1.876) 5.709 2.712 ( 2.630 0.000 6.820) 7.310 2.873 ( 9.672 0.000 -3.584) 10.315 3.280 ( -2.304 0.000 0.260) 2.318 3.380 ( 4.991 0.000 0.310) 5.001 4.254 ( -2.091 0.000 0.050) 2.092 4.308 ( -0.095 0.000 4.696) 4.697 4.465 ( 4.666 0.000 -13.364) 14.156 4.547 ( 5.240 0.000 6.901) 8.665 4.687 ( -2.675 0.000 -3.673) 4.543 4.847 ( 0.303 0.000 -5.205) 5.214 4.899 ( 5.663 0.000 -0.408) 5.678 5.059 ( 3.397 0.000 -4.863) 5.931 5.114 ( 5.580 0.000 -4.117) 6.935 5.895 ( -2.966 0.000 -26.221) 26.388 6.234 ( -7.970 0.000 4.840) 9.325 6.278 ( -6.691 0.000 6.022) 9.001 6.541 ( -11.337 0.000 0.627) 11.354 6.569 ( -11.659 0.000 0.351) 11.664 6.665 ( -6.670 0.000 6.779) 9.510 6.777 ( -9.582 0.000 0.192) 9.584 6.829 ( -10.908 0.000 6.704) 12.803 6.910 ( 2.430 0.000 1.843) 3.050 7.011 ( -1.015 0.000 -1.902) 2.155 7.094 ( -0.826 0.000 -5.397) 5.460 7.102 ( -4.842 0.000 -1.151) 4.977 7.244 ( 6.944 0.000 -3.173) 7.634 7.277 ( 10.059 0.000 5.661) 11.543 7.335 ( 5.098 0.000 4.762) 6.976 7.617 ( 5.640 0.000 0.749) 5.689 7.777 ( 21.810 0.000 -11.674) 24.738 8.373 ( 2.134 0.000 4.435) 4.922 9.084 ( -0.174 0.000 -14.018) 14.020 9.433 ( -26.516 0.000 25.968) 37.114 9.531 ( -3.586 0.000 8.103) 8.861 13.757 ( -2.470 0.000 0.802) 2.597 13.781 ( 3.929 0.000 0.466) 3.956 13.793 ( 3.338 0.000 0.878) 3.452 13.847 ( -5.193 0.000 -1.089) 5.306 15.612 ( -0.263 0.000 0.576) 0.633 15.688 ( -0.304 0.000 -1.835) 1.860 15.827 ( 10.475 0.000 -0.802) 10.505 15.901 ( 14.173 0.000 -9.620) 17.130 16.533 ( 0.311 0.000 0.808) 0.866 16.608 ( -0.047 0.000 -0.958) 0.959 17.320 ( -7.347 0.000 1.289) 7.460 17.358 ( -9.129 0.000 3.938) 9.942 ======================= Grid point 123 (24/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 16.283 0.000 12.460) 20.503 1.208 ( 23.325 0.000 3.281) 23.555 1.514 ( 15.308 0.000 8.020) 17.282 1.581 ( 20.701 0.000 9.763) 22.887 1.754 ( 14.152 0.000 -8.751) 16.639 1.788 ( 18.196 0.000 -3.277) 18.489 1.881 ( 7.395 0.000 -5.425) 9.172 2.481 ( -4.650 0.000 4.754) 6.650 2.771 ( 2.885 0.000 4.123) 5.032 3.032 ( 3.071 0.000 -5.599) 6.386 3.263 ( 3.799 0.000 7.104) 8.056 3.503 ( 8.061 0.000 4.062) 9.026 4.230 ( -0.008 0.000 -4.543) 4.543 4.308 ( 0.385 0.000 2.334) 2.365 4.400 ( -7.972 0.000 -14.146) 16.238 4.654 ( -1.988 0.000 -3.299) 3.852 4.673 ( 7.019 0.000 6.682) 9.691 4.846 ( 0.250 0.000 -2.829) 2.840 5.029 ( 6.781 0.000 1.690) 6.988 5.142 ( -2.575 0.000 2.822) 3.820 5.153 ( 5.716 0.000 -4.589) 7.330 5.822 ( -4.922 0.000 -18.531) 19.173 6.081 ( -13.074 0.000 2.881) 13.388 6.081 ( -7.562 0.000 1.595) 7.728 6.261 ( -16.400 0.000 2.393) 16.574 6.275 ( -16.860 0.000 -0.244) 16.862 6.446 ( -12.153 0.000 0.634) 12.169 6.636 ( -8.909 0.000 0.544) 8.926 6.693 ( -1.172 0.000 5.257) 5.386 6.918 ( -4.419 0.000 4.870) 6.576 6.923 ( -2.440 0.000 -1.541) 2.885 7.030 ( -4.958 0.000 -6.444) 8.131 7.116 ( 3.268 0.000 -8.888) 9.469 7.310 ( 2.051 0.000 -1.001) 2.282 7.484 ( 10.542 0.000 6.409) 12.337 7.519 ( 10.470 0.000 3.730) 11.115 7.742 ( 6.477 0.000 2.600) 6.980 8.078 ( 7.411 0.000 -3.907) 8.378 8.444 ( 6.536 0.000 -1.408) 6.686 9.054 ( -3.324 0.000 -11.298) 11.776 9.133 ( -5.983 0.000 20.683) 21.531 9.459 ( -3.008 0.000 4.186) 5.154 13.710 ( -2.078 0.000 -1.281) 2.442 13.737 ( -5.164 0.000 -0.695) 5.210 13.860 ( 3.354 0.000 3.823) 5.086 13.879 ( 5.436 0.000 1.183) 5.563 15.605 ( -0.397 0.000 0.291) 0.492 15.672 ( -1.120 0.000 -1.679) 2.018 16.074 ( 13.378 0.000 -1.808) 13.500 16.086 ( 5.843 0.000 -4.659) 7.473 16.541 ( 0.559 0.000 0.746) 0.932 16.607 ( -0.011 0.000 -0.813) 0.813 17.129 ( -11.297 0.000 1.830) 11.444 17.220 ( -5.471 0.000 0.701) 5.516 ======================= Grid point 124 (25/63) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 15.814 0.000 9.301) 18.347 1.601 ( 16.194 0.000 -0.526) 16.203 1.794 ( 12.986 0.000 4.331) 13.690 1.902 ( 12.650 0.000 0.497) 12.660 2.023 ( 9.294 0.000 -2.578) 9.644 2.036 ( 9.911 0.000 -8.161) 12.839 2.202 ( 20.471 0.000 4.296) 20.917 2.408 ( -1.933 0.000 8.787) 8.997 2.812 ( 1.103 0.000 1.857) 2.160 2.976 ( -5.623 0.000 -0.101) 5.623 3.443 ( 11.375 0.000 4.546) 12.249 3.700 ( 11.345 0.000 5.756) 12.722 4.237 ( -7.189 0.000 -13.295) 15.114 4.264 ( 3.585 0.000 -4.934) 6.099 4.333 ( 2.318 0.000 -1.418) 2.718 4.585 ( -4.461 0.000 -3.195) 5.488 4.815 ( 7.420 0.000 5.287) 9.111 4.880 ( 3.332 0.000 0.201) 3.338 5.055 ( -5.271 0.000 5.474) 7.599 5.138 ( 3.704 0.000 0.422) 3.728 5.246 ( 1.991 0.000 -2.965) 3.571 5.673 ( -10.477 0.000 -8.929) 13.766 5.789 ( -15.236 0.000 0.585) 15.248 5.870 ( -16.029 0.000 -0.766) 16.047 5.938 ( -15.048 0.000 4.561) 15.724 6.014 ( -6.921 0.000 -1.754) 7.139 6.250 ( -7.000 0.000 0.756) 7.041 6.475 ( -7.497 0.000 -1.801) 7.710 6.694 ( 0.958 0.000 4.596) 4.695 6.822 ( -3.903 0.000 0.941) 4.015 6.884 ( -2.555 0.000 1.556) 2.992 6.925 ( -5.272 0.000 -6.529) 8.392 7.180 ( 3.013 0.000 -13.342) 13.678 7.332 ( 0.051 0.000 -5.118) 5.118 7.678 ( 8.843 0.000 7.778) 11.777 7.713 ( 8.967 0.000 5.941) 10.756 7.856 ( 4.837 0.000 5.260) 7.146 8.109 ( -1.832 0.000 7.467) 7.688 8.610 ( 8.238 0.000 -8.536) 11.863 8.961 ( -5.493 0.000 -8.102) 9.789 9.114 ( 2.679 0.000 12.074) 12.367 9.417 ( -1.640 0.000 0.775) 1.814 13.658 ( -2.757 0.000 -0.438) 2.792 13.674 ( -1.621 0.000 -1.988) 2.565 13.926 ( 3.334 0.000 5.100) 6.093 13.977 ( 4.160 0.000 1.925) 4.584 15.598 ( -0.277 0.000 -0.118) 0.301 15.648 ( -1.311 0.000 -1.616) 2.081 16.174 ( 3.692 0.000 -2.188) 4.291 16.311 ( 9.762 0.000 -5.221) 11.071 16.554 ( 0.719 0.000 0.688) 0.996 16.609 ( 0.229 0.000 -0.712) 0.748 16.911 ( -9.754 0.000 4.671) 10.815 17.121 ( -4.878 0.000 -0.785) 4.941 ======================= Grid point 125 (26/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 13.925 0.000 5.345) 14.915 1.826 ( 5.710 0.000 -3.782) 6.849 2.003 ( 7.800 0.000 4.529) 9.020 2.100 ( 7.448 0.000 -0.704) 7.481 2.112 ( 0.321 0.000 0.315) 0.449 2.170 ( 3.108 0.000 0.778) 3.204 2.462 ( 6.808 0.000 4.646) 8.242 2.506 ( 9.450 0.000 3.005) 9.917 2.817 ( -0.339 0.000 0.874) 0.938 2.872 ( -4.323 0.000 1.486) 4.571 3.653 ( 9.565 0.000 2.996) 10.023 3.870 ( 2.590 0.000 4.050) 4.807 4.195 ( 5.471 0.000 -8.485) 10.095 4.351 ( 4.062 0.000 -1.233) 4.245 4.404 ( 4.585 0.000 -6.065) 7.604 4.509 ( -2.682 0.000 -2.865) 3.925 4.952 ( -1.784 0.000 3.543) 3.967 4.967 ( 7.889 0.000 2.827) 8.380 4.984 ( 4.158 0.000 1.190) 4.325 5.125 ( -8.802 0.000 -2.303) 9.098 5.195 ( -2.153 0.000 0.408) 2.191 5.429 ( -13.328 0.000 -4.541) 14.081 5.526 ( -11.891 0.000 1.794) 12.025 5.559 ( -13.752 0.000 1.899) 13.882 5.755 ( -1.650 0.000 2.116) 2.683 5.909 ( -5.030 0.000 -2.730) 5.723 6.183 ( 0.057 0.000 1.996) 1.996 6.340 ( -6.227 0.000 -0.811) 6.280 6.725 ( 2.063 0.000 3.247) 3.847 6.772 ( -1.118 0.000 -1.295) 1.711 6.829 ( -2.855 0.000 1.350) 3.158 6.834 ( -3.828 0.000 -5.959) 7.083 7.233 ( 2.373 0.000 -14.469) 14.662 7.315 ( -1.581 0.000 -9.607) 9.736 7.824 ( 5.824 0.000 8.962) 10.688 7.861 ( 5.653 0.000 8.018) 9.810 7.928 ( 2.661 0.000 7.122) 7.603 8.058 ( -3.002 0.000 8.766) 9.266 8.731 ( 4.135 0.000 -7.035) 8.160 8.861 ( -4.306 0.000 -6.303) 7.634 9.202 ( 5.484 0.000 5.439) 7.724 9.378 ( -2.672 0.000 0.014) 2.672 13.626 ( -0.627 0.000 -0.594) 0.864 13.646 ( -1.222 0.000 -1.708) 2.100 13.988 ( 2.875 0.000 4.890) 5.672 14.032 ( 1.367 0.000 2.815) 3.129 15.596 ( 0.131 0.000 -0.571) 0.585 15.623 ( -1.148 0.000 -1.379) 1.795 16.249 ( 4.178 0.000 -3.099) 5.201 16.411 ( -0.332 0.000 -9.044) 9.050 16.569 ( 0.768 0.000 0.692) 1.034 16.606 ( -1.012 0.000 -0.392) 1.085 16.812 ( 1.073 0.000 7.771) 7.845 17.019 ( -5.608 0.000 0.331) 5.618 ======================= Grid point 126 (27/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -8.457 0.000 -0.534) 8.474 1.790 ( 8.457 0.000 -0.534) 8.474 2.094 ( -1.789 0.000 6.246) 6.497 2.094 ( 1.789 0.000 6.246) 6.497 2.190 ( -1.611 0.000 -0.941) 1.866 2.190 ( 1.611 0.000 -0.941) 1.866 2.571 ( -2.311 0.000 2.362) 3.305 2.571 ( 2.311 0.000 2.362) 3.305 2.818 ( -1.098 0.000 0.616) 1.259 2.818 ( 1.098 0.000 0.616) 1.259 3.812 ( -6.337 0.000 1.935) 6.625 3.812 ( 6.337 0.000 1.935) 6.625 4.357 ( -5.580 0.000 -2.251) 6.017 4.357 ( 5.580 0.000 -2.251) 6.017 4.472 ( -1.970 0.000 -4.798) 5.187 4.472 ( 1.970 0.000 -4.798) 5.187 4.945 ( -4.253 0.000 2.607) 4.988 4.945 ( 4.253 0.000 2.607) 4.988 5.084 ( -1.056 0.000 -3.121) 3.295 5.084 ( 1.056 0.000 -3.121) 3.295 5.211 ( -6.297 0.000 -0.103) 6.298 5.211 ( 6.297 0.000 -0.103) 6.298 5.387 ( -1.237 0.000 3.791) 3.988 5.387 ( 1.237 0.000 3.791) 3.988 5.808 ( -4.904 0.000 -1.014) 5.008 5.808 ( 4.904 0.000 -1.014) 5.008 6.233 ( -4.397 0.000 1.305) 4.587 6.233 ( 4.397 0.000 1.305) 4.587 6.768 ( -1.373 0.000 0.298) 1.405 6.768 ( 1.373 0.000 0.298) 1.405 6.783 ( -0.305 0.000 -2.449) 2.468 6.783 ( 0.305 0.000 -2.449) 2.468 7.277 ( -2.148 0.000 -12.946) 13.123 7.277 ( 2.148 0.000 -12.946) 13.123 7.899 ( -1.590 0.000 9.693) 9.822 7.899 ( 1.590 0.000 9.693) 9.822 7.992 ( -3.733 0.000 7.528) 8.403 7.992 ( 3.733 0.000 7.528) 8.403 8.793 ( -2.833 0.000 -5.738) 6.399 8.793 ( 2.833 0.000 -5.738) 6.399 9.306 ( -4.665 0.000 1.448) 4.885 9.306 ( 4.665 0.000 1.448) 4.885 13.628 ( -0.608 0.000 -1.097) 1.254 13.628 ( 0.608 0.000 -1.097) 1.254 14.032 ( -1.319 0.000 3.908) 4.125 14.032 ( 1.319 0.000 3.908) 4.125 15.604 ( -0.691 0.000 -1.008) 1.222 15.604 ( 0.691 0.000 -1.008) 1.222 16.341 ( -5.019 0.000 -6.070) 7.876 16.341 ( 5.019 0.000 -6.070) 7.876 16.585 ( -0.893 0.000 0.738) 1.158 16.585 ( 0.893 0.000 0.738) 1.158 16.902 ( -6.120 0.000 3.399) 7.000 16.902 ( 6.120 0.000 3.399) 7.000 ======================= Grid point 133 (28/63) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 6.907 6.907 13.715) 16.838 0.874 ( 10.576 10.576 20.782) 25.605 1.374 ( 9.147 9.147 4.720) 13.770 1.393 ( 21.064 21.064 15.025) 33.364 1.473 ( 2.507 2.507 -12.126) 12.634 1.735 ( 14.401 14.401 -7.354) 21.653 1.803 ( 4.171 4.171 -5.430) 8.017 2.586 ( -1.806 -1.806 -0.261) 2.567 2.613 ( -3.536 -3.536 7.864) 9.319 3.015 ( 8.994 8.994 -2.890) 13.043 3.300 ( -0.250 -0.250 -2.570) 2.594 3.369 ( 2.304 2.304 6.952) 7.678 4.248 ( -1.527 -1.527 1.923) 2.892 4.316 ( -0.062 -0.062 5.768) 5.769 4.430 ( 0.720 0.720 -12.961) 13.001 4.635 ( -3.897 -3.897 -3.688) 6.632 4.678 ( 6.053 6.053 -0.628) 8.583 4.826 ( -0.914 -0.914 -1.241) 1.792 4.962 ( 5.386 5.386 -0.907) 7.671 5.072 ( 1.961 1.961 -5.590) 6.239 5.169 ( 2.909 2.909 -1.888) 4.527 5.844 ( -5.474 -5.474 -20.673) 22.075 6.116 ( -10.884 -10.884 2.684) 15.624 6.182 ( -6.372 -6.372 5.832) 10.734 6.287 ( -15.291 -15.291 4.378) 22.064 6.598 ( -4.340 -4.340 1.100) 6.235 6.632 ( -6.862 -6.862 -3.241) 10.232 6.718 ( -1.440 -1.440 1.876) 2.768 6.747 ( -6.394 -6.394 -1.029) 9.100 6.981 ( 3.325 3.325 2.768) 5.456 6.989 ( -5.475 -5.475 -2.122) 8.028 7.090 ( 3.475 3.475 2.202) 5.385 7.162 ( 4.040 4.040 -2.146) 6.102 7.290 ( 3.713 3.713 8.765) 10.218 7.361 ( 2.587 2.587 1.778) 4.067 7.399 ( 9.068 9.068 -3.266) 13.233 7.619 ( 2.861 2.861 -2.613) 4.816 7.924 ( 11.213 11.213 -9.449) 18.460 8.385 ( 1.180 1.180 4.082) 4.410 9.081 ( -0.782 -0.782 -13.372) 13.418 9.211 ( -14.520 -14.520 24.516) 31.979 9.532 ( -1.352 -1.352 8.397) 8.612 13.699 ( -3.551 -3.551 -1.892) 5.366 13.758 ( 0.871 0.871 0.156) 1.242 13.874 ( 4.546 4.546 3.037) 7.110 13.891 ( 1.277 1.277 -0.323) 1.834 15.628 ( 0.650 0.650 0.801) 1.218 15.727 ( 0.687 0.687 -0.898) 1.322 15.815 ( 5.121 5.121 -4.887) 8.737 16.025 ( 7.486 7.486 -5.303) 11.840 16.534 ( 0.169 0.169 0.790) 0.825 16.607 ( -0.100 -0.100 -0.855) 0.866 17.242 ( -7.151 -7.151 1.373) 10.206 17.280 ( -6.219 -6.219 3.505) 9.468 ======================= Grid point 134 (29/63) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 21.966 -7.880 7.041) 24.376 1.138 ( 16.470 1.982 18.345) 24.733 1.599 ( 11.776 1.748 -2.407) 12.146 1.612 ( 12.125 1.929 -4.805) 13.184 1.761 ( 15.192 12.665 2.480) 19.933 1.917 ( 7.141 3.744 -4.520) 9.244 2.068 ( 17.961 16.580 -1.152) 24.471 2.480 ( -5.171 -0.334 6.016) 7.940 2.641 ( 2.656 -8.892 3.383) 9.878 3.087 ( -3.220 1.944 -2.105) 4.310 3.315 ( 4.366 1.140 0.577) 4.549 3.512 ( 10.643 5.063 6.792) 13.603 4.219 ( -0.939 -1.943 -0.789) 2.297 4.306 ( -0.690 -0.808 3.970) 4.110 4.413 ( -4.006 2.750 -15.296) 16.050 4.574 ( -1.135 -4.686 -2.660) 5.507 4.772 ( 4.291 5.616 2.323) 7.440 4.812 ( -0.457 -2.594 -0.676) 2.719 5.070 ( 3.024 2.416 1.906) 4.314 5.141 ( 4.656 -0.263 -5.013) 6.847 5.176 ( -0.798 2.342 2.314) 3.388 5.668 ( -12.372 -13.757 -7.929) 20.129 5.839 ( -16.013 -16.810 -1.060) 23.241 6.040 ( -6.678 -5.052 0.783) 8.411 6.095 ( -5.172 -7.008 3.469) 9.375 6.408 ( -11.805 -0.921 -2.244) 12.052 6.470 ( -9.180 0.397 -4.346) 10.164 6.629 ( -7.519 8.088 1.331) 11.123 6.676 ( -2.329 -8.463 -1.847) 8.970 6.863 ( -5.829 0.677 1.003) 5.954 7.057 ( -2.038 3.150 -3.059) 4.841 7.094 ( 4.323 6.897 1.494) 8.276 7.157 ( -4.376 8.710 -0.878) 9.787 7.419 ( 4.990 3.259 5.192) 7.904 7.462 ( 8.903 -1.463 4.865) 10.251 7.560 ( 7.777 6.974 -3.090) 10.894 7.725 ( 6.626 -0.794 -0.723) 6.713 8.116 ( 6.042 3.128 -0.646) 6.834 8.437 ( 5.300 -0.630 -1.409) 5.520 9.006 ( -5.913 -9.605 14.373) 18.270 9.040 ( -3.321 -2.053 -8.525) 9.376 9.499 ( -1.695 2.369 5.082) 5.858 13.643 ( -1.856 -1.780 -2.821) 3.817 13.805 ( 3.235 -1.514 0.773) 3.655 13.876 ( -1.874 7.570 -0.153) 7.800 13.960 ( 3.948 4.479 4.919) 7.736 15.628 ( -0.448 1.983 0.607) 2.121 15.707 ( -1.430 3.310 -1.617) 3.952 15.999 ( 10.678 -3.610 -5.313) 12.461 16.149 ( 5.470 2.812 -1.028) 6.235 16.539 ( 0.340 -0.193 0.762) 0.857 16.605 ( -0.101 -0.248 -0.661) 0.713 17.070 ( -10.102 -5.702 1.408) 11.686 17.155 ( -5.765 -5.733 1.200) 8.218 ======================= Grid point 135 (30/63) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 17.173 -1.182 5.913) 18.201 1.508 ( 19.372 -6.001 9.399) 22.353 1.850 ( 13.464 -3.695 -3.227) 14.330 1.876 ( 13.244 2.336 -1.652) 13.550 1.993 ( 8.487 5.391 -1.627) 10.185 2.062 ( 6.890 3.485 -3.913) 8.656 2.327 ( 3.444 3.819 5.295) 7.381 2.448 ( 5.941 5.325 5.198) 9.522 2.694 ( 2.535 -9.199 2.541) 9.874 2.967 ( -7.219 -1.380 0.771) 7.390 3.441 ( 7.764 -3.186 1.985) 8.624 3.724 ( 9.481 4.563 3.753) 11.171 4.180 ( -4.590 -3.294 -7.352) 9.272 4.289 ( 0.593 -1.682 1.484) 2.320 4.370 ( 0.722 3.188 -4.750) 5.766 4.538 ( -2.933 -3.388 -5.571) 7.149 4.822 ( 1.700 -4.447 1.087) 4.883 4.879 ( 6.427 5.605 2.646) 8.929 5.005 ( -6.622 -4.968 3.489) 8.984 5.186 ( -2.823 -4.041 -2.353) 5.462 5.209 ( 0.616 -1.049 -0.990) 1.568 5.411 ( -10.180 -11.427 -2.470) 15.502 5.594 ( -6.308 -9.524 1.620) 11.538 5.941 ( -4.872 -1.162 -3.556) 6.143 5.980 ( -7.005 -0.969 2.499) 7.500 6.195 ( -11.926 6.810 -3.442) 14.158 6.256 ( -9.279 3.490 -0.474) 9.925 6.478 ( -7.050 7.034 1.673) 10.099 6.646 ( -0.354 -6.856 -2.181) 7.203 6.773 ( -3.034 0.892 -0.873) 3.280 6.978 ( -4.676 5.662 -0.157) 7.345 7.044 ( -6.368 9.350 -0.879) 11.346 7.199 ( 5.125 4.154 -7.233) 9.790 7.468 ( 0.219 8.746 -2.445) 9.084 7.638 ( 8.512 -3.351 6.961) 11.495 7.724 ( 8.383 1.767 2.819) 9.019 7.844 ( 5.081 -0.392 3.026) 5.927 8.144 ( -1.765 2.699 8.296) 8.901 8.586 ( 7.831 -2.315 -7.491) 11.082 8.926 ( -4.277 -4.642 -5.393) 8.302 9.004 ( 1.901 -7.825 6.538) 10.373 9.461 ( -2.466 2.557 2.186) 4.171 13.629 ( 0.369 1.155 -2.435) 2.721 13.817 ( -2.578 8.893 -0.492) 9.272 13.888 ( 3.705 -1.170 2.241) 4.486 14.024 ( 2.322 2.846 4.905) 6.128 15.618 ( -0.454 1.942 0.036) 1.995 15.678 ( -1.539 2.954 -1.503) 3.655 16.161 ( 5.227 -1.569 -3.879) 6.695 16.277 ( 7.555 -2.956 -3.551) 8.856 16.548 ( 0.547 -0.602 0.779) 1.126 16.605 ( 0.132 -0.467 -0.508) 0.702 16.870 ( -9.330 -4.067 4.204) 11.012 17.051 ( -5.120 -6.649 -0.386) 8.401 ======================= Grid point 136 (31/63) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 13.842 0.731 4.513) 14.577 1.814 ( 9.468 -1.452 0.069) 9.579 2.041 ( 3.400 2.145 3.725) 5.480 2.083 ( 4.492 -3.247 0.910) 5.617 2.122 ( 8.135 1.885 -2.273) 8.654 2.181 ( 5.089 2.781 -1.605) 6.017 2.365 ( 4.890 -4.951 6.309) 9.393 2.561 ( 1.767 0.884 1.624) 2.557 2.737 ( 1.926 -7.196 2.458) 7.844 2.842 ( -4.821 -2.895 1.369) 5.787 3.608 ( 8.854 -5.457 3.077) 10.846 3.842 ( 1.284 -2.181 2.847) 3.810 4.108 ( 0.210 -5.329 -10.146) 11.463 4.312 ( 0.005 -5.608 0.457) 5.627 4.386 ( -0.308 -4.038 0.085) 4.051 4.468 ( -4.378 -5.078 -5.201) 8.485 4.859 ( -0.332 -7.203 0.699) 7.245 4.882 ( -0.559 -5.402 1.049) 5.531 4.992 ( -2.001 -6.851 -0.674) 7.169 5.060 ( -6.577 -2.845 -0.389) 7.176 5.157 ( 4.345 0.243 4.350) 6.152 5.388 ( 3.933 7.385 -4.500) 9.500 5.571 ( 0.493 0.526 -0.423) 0.835 5.774 ( -12.786 12.267 -0.613) 17.730 5.845 ( -6.262 1.207 -0.517) 6.398 5.938 ( -9.872 7.271 -1.308) 12.330 6.190 ( 0.763 0.036 2.902) 3.000 6.351 ( -5.905 4.007 3.527) 7.960 6.667 ( 2.298 -4.023 -2.722) 5.373 6.743 ( -0.418 1.159 -4.309) 4.481 6.888 ( -4.105 3.866 0.760) 5.690 6.924 ( -5.431 7.216 -1.753) 9.200 7.293 ( 4.472 6.149 -9.624) 12.265 7.442 ( -2.615 9.188 -7.250) 11.992 7.787 ( 6.343 -3.130 8.550) 11.097 7.862 ( 4.606 -0.310 7.018) 8.401 7.923 ( 3.542 0.408 4.911) 6.069 8.088 ( -3.578 2.416 8.568) 9.594 8.699 ( 3.862 -3.243 -6.249) 8.031 8.839 ( -4.190 -2.208 -6.251) 7.843 9.111 ( 7.802 -7.831 3.756) 11.675 9.391 ( -4.874 0.054 1.002) 4.976 13.654 ( 2.017 4.421 -1.791) 5.179 13.760 ( -2.987 9.262 -0.933) 9.776 13.963 ( 3.598 -1.641 3.332) 5.171 14.047 ( -0.055 0.801 4.290) 4.364 15.614 ( 0.148 1.791 -0.483) 1.861 15.648 ( -1.425 2.495 -1.207) 3.116 16.245 ( 4.061 -0.385 -3.546) 5.405 16.375 ( 0.944 -3.626 -8.458) 9.251 16.561 ( 0.752 -0.823 0.915) 1.442 16.603 ( -0.905 -0.375 -0.177) 0.995 16.759 ( -0.299 -5.109 7.330) 8.940 16.946 ( -5.631 -7.091 0.491) 9.068 ======================= Grid point 137 (32/63) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -8.708 0.843 -0.012) 8.749 1.800 ( 8.708 0.843 -0.012) 8.749 2.102 ( -2.950 0.184 6.473) 7.116 2.102 ( 2.950 0.184 6.473) 7.116 2.218 ( -1.597 3.195 -1.586) 3.908 2.218 ( 1.597 3.195 -1.586) 3.908 2.504 ( -6.628 -6.473 1.095) 9.329 2.504 ( 6.628 -6.473 1.095) 9.329 2.777 ( -2.310 -4.303 2.363) 5.426 2.777 ( 2.310 -4.303 2.363) 5.426 3.770 ( -7.030 -4.765 2.836) 8.954 3.770 ( 7.030 -4.765 2.836) 8.954 4.217 ( -8.564 -11.014 -6.796) 15.519 4.217 ( 8.564 -11.014 -6.796) 15.519 4.395 ( -2.599 -7.547 -0.582) 8.003 4.395 ( 2.599 -7.547 -0.582) 8.003 4.871 ( -2.322 -7.665 0.138) 8.010 4.871 ( 2.322 -7.665 0.138) 8.010 4.964 ( -2.571 -4.672 1.897) 5.660 4.964 ( 2.571 -4.672 1.897) 5.660 5.377 ( -11.689 12.860 -1.005) 17.408 5.377 ( 11.689 12.860 -1.005) 17.408 5.561 ( -5.317 9.824 -2.681) 11.488 5.561 ( 5.317 9.824 -2.681) 11.488 5.815 ( -3.472 2.385 0.697) 4.269 5.815 ( 3.472 2.385 0.697) 4.269 6.247 ( -4.482 1.383 4.111) 6.238 6.247 ( 4.482 1.383 4.111) 6.238 6.722 ( -2.520 -0.263 -4.131) 4.846 6.722 ( 2.520 -0.263 -4.131) 4.846 6.851 ( -1.267 4.328 -0.609) 4.551 6.851 ( 1.267 4.328 -0.609) 4.551 7.376 ( -3.893 8.012 -9.457) 12.992 7.376 ( 3.893 8.012 -9.457) 12.992 7.876 ( -2.428 -2.177 8.978) 9.552 7.876 ( 2.428 -2.177 8.978) 9.552 8.008 ( -4.487 1.668 6.478) 8.055 8.008 ( 4.487 1.668 6.478) 8.055 8.765 ( -3.368 -2.842 -5.454) 7.012 8.765 ( 3.368 -2.842 -5.454) 7.012 9.268 ( -7.475 -3.791 1.300) 8.481 9.268 ( 7.475 -3.791 1.300) 8.481 13.702 ( -2.807 7.323 -1.291) 7.948 13.702 ( 2.807 7.323 -1.291) 7.948 14.023 ( -2.276 -0.772 3.820) 4.513 14.023 ( 2.276 -0.772 3.820) 4.513 15.625 ( -0.901 2.014 -0.878) 2.375 15.625 ( 0.901 2.014 -0.878) 2.375 16.329 ( -4.195 -1.274 -6.235) 7.622 16.329 ( 4.195 -1.274 -6.235) 7.622 16.578 ( -1.084 -0.687 1.139) 1.716 16.578 ( 1.084 -0.687 1.139) 1.716 16.832 ( -5.741 -6.843 3.344) 9.537 16.832 ( 5.741 -6.843 3.344) 9.537 ======================= Grid point 145 (33/63) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 8.273 8.273 9.002) 14.762 1.272 ( 9.780 9.780 17.844) 22.577 1.606 ( 4.099 4.099 -10.838) 12.292 1.805 ( 11.717 11.717 1.510) 16.639 1.984 ( 9.222 9.222 -3.386) 13.475 2.020 ( 6.605 6.605 -3.388) 9.937 2.361 ( 10.974 10.974 -0.122) 15.520 2.422 ( -5.854 -5.854 7.398) 11.102 2.547 ( 0.911 0.911 5.137) 5.295 3.062 ( -5.032 -5.032 0.894) 7.172 3.288 ( -0.301 -0.301 -2.657) 2.691 3.704 ( 10.425 10.425 5.315) 15.673 4.167 ( -2.716 -2.716 -0.516) 3.875 4.274 ( -2.241 -2.241 4.968) 5.892 4.463 ( -4.711 -4.711 -0.694) 6.699 4.484 ( 1.248 1.248 -16.009) 16.106 4.763 ( -2.097 -2.097 0.855) 3.086 4.885 ( 6.114 6.114 2.417) 8.979 5.024 ( -7.855 -7.855 2.549) 11.398 5.154 ( 2.031 2.031 -6.364) 6.982 5.185 ( -6.445 -6.445 -0.647) 9.137 5.406 ( -9.188 -9.188 -1.197) 13.049 5.564 ( -7.008 -7.008 2.839) 10.309 5.944 ( -5.010 -5.010 3.792) 8.036 5.973 ( -4.044 -4.044 -1.583) 5.934 6.317 ( -7.723 -7.723 -1.572) 11.034 6.475 ( -1.023 -1.023 -9.974) 10.078 6.530 ( -2.892 -2.892 -4.890) 6.376 6.737 ( 0.962 0.962 0.463) 1.438 6.897 ( 0.079 0.079 0.227) 0.253 7.072 ( 1.587 1.587 0.438) 2.287 7.196 ( 1.357 1.357 1.759) 2.603 7.367 ( 5.540 5.540 2.843) 8.335 7.400 ( 2.370 2.370 9.319) 9.903 7.482 ( 3.518 3.518 1.553) 5.211 7.729 ( 2.524 2.524 -3.568) 5.048 7.754 ( 8.576 8.576 -4.527) 12.946 8.177 ( 2.410 2.410 5.043) 6.087 8.440 ( 1.998 1.998 -3.019) 4.135 8.825 ( -7.418 -7.418 9.298) 14.018 8.984 ( -3.715 -3.715 -8.000) 9.571 9.520 ( -0.455 -0.455 3.768) 3.822 13.643 ( 1.557 1.557 -3.615) 4.233 13.803 ( 1.364 1.364 0.205) 1.939 13.997 ( 4.122 4.122 -0.074) 5.829 14.034 ( 2.801 2.801 6.467) 7.584 15.661 ( 0.971 0.971 1.139) 1.785 15.769 ( 1.443 1.443 -1.256) 2.396 15.976 ( 2.659 2.659 -6.850) 7.814 16.194 ( 1.938 1.938 0.077) 2.742 16.535 ( -0.250 -0.250 0.896) 0.963 16.598 ( -0.405 -0.405 -0.400) 0.699 16.927 ( -8.320 -8.320 1.310) 11.839 17.024 ( -7.085 -7.085 1.102) 10.080 ======================= Grid point 146 (34/63) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 21.111 -6.446 4.938) 22.619 1.495 ( 12.678 4.274 15.255) 20.291 1.753 ( 10.197 -2.096 -9.217) 13.904 2.036 ( 10.620 9.667 0.394) 14.366 2.101 ( 2.323 4.468 -4.273) 6.604 2.161 ( 7.132 6.561 -2.144) 9.925 2.313 ( -3.177 -4.472 7.286) 9.120 2.485 ( 2.443 -4.021 3.040) 5.601 2.603 ( 1.967 1.407 3.541) 4.288 2.917 ( -8.311 -3.727 1.440) 9.222 3.336 ( 4.608 -5.386 -1.656) 7.280 3.827 ( 1.186 3.041 3.073) 4.483 4.105 ( -4.471 -4.464 -2.226) 6.699 4.230 ( -1.744 -3.681 3.182) 5.169 4.359 ( -4.784 -3.861 0.145) 6.149 4.450 ( -6.921 -8.259 -9.043) 14.068 4.737 ( -0.459 -3.815 2.153) 4.405 4.851 ( -5.868 -6.705 -1.766) 9.083 4.897 ( -10.257 -13.382 -1.053) 16.893 5.107 ( 8.929 8.165 3.961) 12.731 5.152 ( -4.792 0.681 -2.638) 5.512 5.318 ( 2.318 -4.863 -3.803) 6.595 5.588 ( 4.169 5.893 -2.373) 7.598 5.880 ( -1.967 -4.988 2.541) 5.934 5.907 ( -2.243 -0.772 2.654) 3.560 6.169 ( -5.508 -5.018 -0.286) 7.457 6.400 ( -6.797 4.897 -7.531) 11.265 6.556 ( 3.647 1.337 -5.524) 6.753 6.680 ( -5.552 9.020 0.540) 10.606 6.852 ( -3.255 5.648 2.854) 7.116 7.071 ( -2.996 3.681 -3.299) 5.780 7.175 ( -3.647 3.313 -1.103) 5.049 7.353 ( 1.393 9.818 5.668) 11.422 7.549 ( 5.345 -0.147 4.337) 6.885 7.591 ( 6.819 -0.432 4.081) 7.959 7.779 ( 3.195 1.598 -1.442) 3.852 7.899 ( 5.489 7.447 -3.049) 9.741 8.185 ( -1.492 1.130 8.087) 8.300 8.531 ( 5.586 -2.701 -5.156) 8.068 8.752 ( 1.244 -9.963 2.631) 10.380 8.902 ( -4.170 -4.218 -4.552) 7.476 9.475 ( -4.199 -1.485 2.136) 4.939 13.699 ( 3.954 5.548 -3.356) 7.595 13.849 ( 2.971 -0.422 0.502) 3.042 14.037 ( 0.134 10.217 0.062) 10.218 14.067 ( 0.585 1.531 6.303) 6.512 15.665 ( -0.334 2.452 0.800) 2.601 15.756 ( -1.862 4.665 -1.542) 5.254 16.093 ( 7.484 -5.242 -6.488) 11.207 16.232 ( 2.100 -1.081 -0.958) 2.549 16.531 ( -0.047 -1.097 1.191) 1.620 16.591 ( -0.271 -0.944 -0.230) 1.009 16.761 ( -8.086 -6.629 2.997) 10.877 16.889 ( -6.608 -9.109 0.375) 11.260 ======================= Grid point 147 (35/63) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 16.826 -3.459 1.761) 17.268 1.768 ( 14.093 -2.225 9.674) 17.238 1.958 ( 6.659 -5.632 -4.026) 9.605 2.066 ( 0.397 -0.774 0.195) 0.891 2.230 ( 6.325 7.671 -0.010) 9.943 2.266 ( 1.501 1.112 3.357) 3.842 2.300 ( 2.521 1.806 0.132) 3.104 2.492 ( -3.320 -7.265 0.088) 7.989 2.588 ( -0.815 -7.610 4.189) 8.725 2.769 ( -6.706 -4.570 3.556) 8.860 3.456 ( 7.384 -8.567 0.203) 11.311 3.766 ( -6.354 -6.729 2.104) 9.491 4.004 ( -4.220 -5.862 -4.754) 8.647 4.163 ( -8.488 -10.269 -4.417) 14.036 4.242 ( -4.747 -9.584 0.803) 10.725 4.300 ( -4.675 -8.278 0.868) 9.547 4.733 ( -0.437 -5.918 -0.046) 5.934 4.757 ( -2.171 -7.223 -0.085) 7.543 4.831 ( 2.174 -2.697 -0.350) 3.481 5.018 ( -6.761 -1.376 1.970) 7.175 5.342 ( 10.780 5.683 -1.012) 12.228 5.447 ( 9.609 5.408 -6.160) 12.630 5.623 ( 0.331 1.779 -8.717) 8.903 5.847 ( -1.640 -1.410 1.441) 2.599 5.885 ( -0.702 5.059 3.717) 6.317 6.153 ( 1.711 3.945 3.361) 5.458 6.193 ( -11.087 8.820 -3.119) 14.507 6.517 ( -8.932 9.454 7.330) 14.929 6.674 ( 6.041 6.728 -5.317) 10.489 6.821 ( 0.372 5.375 -2.262) 5.844 6.980 ( -5.053 5.434 -2.410) 7.802 7.062 ( -6.783 6.093 -1.171) 9.192 7.427 ( 4.930 6.553 -0.122) 8.201 7.584 ( -1.325 4.411 -0.892) 4.691 7.725 ( 6.290 -2.631 6.704) 9.562 7.838 ( 1.726 -1.927 4.831) 5.480 7.983 ( 3.732 5.964 -0.812) 7.082 8.135 ( -3.375 2.189 6.050) 7.265 8.606 ( 3.153 -5.982 -4.724) 8.249 8.776 ( -3.899 -4.106 -5.744) 8.066 8.934 ( 10.318 -9.442 1.976) 14.125 9.353 ( -8.147 -4.042 1.237) 9.179 13.790 ( 5.074 8.689 -2.754) 10.432 13.905 ( 1.971 0.451 0.133) 2.026 14.016 ( -1.503 11.380 1.087) 11.530 14.059 ( -1.370 0.826 5.195) 5.436 15.661 ( 0.222 2.754 0.032) 2.764 15.715 ( -2.111 4.092 -0.985) 4.708 16.222 ( 4.939 -3.450 -6.043) 8.533 16.278 ( 2.245 -4.821 -4.853) 7.199 16.535 ( 0.423 -2.042 1.822) 2.769 16.590 ( -0.323 -1.034 0.008) 1.083 16.631 ( -3.784 -7.121 5.562) 9.797 16.765 ( -5.982 -10.394 0.678) 12.011 ======================= Grid point 148 (36/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -9.220 0.100 0.731) 9.249 1.813 ( 9.220 0.101 0.731) 9.249 2.072 ( -7.859 -3.722 5.745) 10.422 2.072 ( 7.859 -3.722 5.745) 10.422 2.312 ( -3.981 1.568 -1.128) 4.425 2.312 ( 3.981 1.568 -1.128) 4.425 2.349 ( -6.011 -3.887 -0.801) 7.203 2.349 ( 6.011 -3.887 -0.801) 7.203 2.645 ( -5.494 -8.944 5.037) 11.643 2.645 ( 5.494 -8.944 5.037) 11.643 3.615 ( -8.350 -10.195 1.839) 13.306 3.615 ( 8.350 -10.195 1.839) 13.306 3.997 ( -4.545 -11.377 -7.063) 14.141 3.997 ( 4.545 -11.377 -7.063) 14.141 4.233 ( -2.035 -6.992 2.379) 7.661 4.233 ( 2.035 -6.992 2.379) 7.661 4.739 ( -0.804 -5.448 -0.492) 5.529 4.739 ( 0.804 -5.448 -0.492) 5.529 4.903 ( -4.825 -1.798 1.434) 5.346 4.903 ( 4.825 -1.798 1.434) 5.346 5.490 ( -4.913 -2.401 -5.954) 8.085 5.490 ( 4.913 -2.401 -5.954) 8.085 5.772 ( -9.462 11.433 -3.017) 15.144 5.772 ( 9.462 11.433 -3.017) 15.144 5.919 ( -7.696 7.183 -0.887) 10.565 5.919 ( 7.696 7.183 -0.887) 10.565 6.322 ( -10.023 7.487 9.107) 15.474 6.322 ( 10.023 7.487 9.107) 15.474 6.796 ( -4.984 7.125 -5.546) 10.313 6.796 ( 4.984 7.125 -5.546) 10.313 6.947 ( -3.495 5.183 -0.427) 6.266 6.947 ( 3.495 5.183 -0.427) 6.266 7.522 ( -4.407 6.011 -2.566) 7.883 7.522 ( 4.407 6.011 -2.566) 7.883 7.822 ( -3.224 -3.050 7.312) 8.553 7.822 ( 3.224 -3.050 7.312) 8.553 8.060 ( -4.009 3.718 2.506) 6.015 8.060 ( 4.009 3.718 2.506) 6.015 8.684 ( -4.661 -5.291 -4.842) 8.553 8.684 ( 4.661 -5.291 -4.842) 8.553 9.160 ( -11.238 -7.039 1.031) 13.300 9.160 ( 11.238 -7.039 1.031) 13.300 13.884 ( -3.886 8.777 -2.090) 9.823 13.884 ( 3.886 8.777 -2.090) 9.823 14.022 ( -1.952 2.619 3.912) 5.096 14.022 ( 1.952 2.619 3.912) 5.096 15.678 ( -1.465 3.219 -0.485) 3.570 15.678 ( 1.465 3.219 -0.485) 3.570 16.287 ( -1.706 -3.263 -6.583) 7.542 16.287 ( 1.706 -3.263 -6.583) 7.542 16.552 ( -1.549 -2.636 3.090) 4.347 16.552 ( 1.549 -2.636 3.090) 4.347 16.659 ( -4.335 -9.146 2.116) 10.340 16.659 ( 4.335 -9.146 2.116) 10.340 ======================= Grid point 157 (37/63) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 7.262 7.262 6.602) 12.209 1.617 ( 7.407 7.407 13.158) 16.818 1.774 ( 4.082 4.082 -9.645) 11.241 2.146 ( -0.683 -0.683 -4.721) 4.819 2.170 ( -3.672 -3.672 4.920) 7.153 2.248 ( 7.329 7.329 0.521) 10.377 2.311 ( 8.172 8.172 -0.615) 11.573 2.426 ( -2.710 -2.710 7.044) 8.019 2.564 ( -6.115 -6.115 -0.326) 8.654 2.816 ( -6.796 -6.796 4.858) 10.769 3.276 ( -0.332 -0.332 -3.243) 3.277 3.776 ( -7.868 -7.868 2.665) 11.442 4.002 ( -6.170 -6.170 0.560) 8.744 4.167 ( -2.562 -2.562 2.727) 4.535 4.171 ( -17.465 -17.465 -6.402) 25.515 4.269 ( -4.820 -4.820 0.204) 6.819 4.680 ( -2.000 -2.000 3.557) 4.544 4.687 ( -5.648 -5.648 -2.280) 8.306 4.790 ( -0.152 -0.152 -3.098) 3.105 5.121 ( -4.647 -4.647 4.284) 7.845 5.226 ( 1.613 1.613 -6.791) 7.164 5.414 ( 14.759 14.759 -3.777) 21.211 5.634 ( -0.663 -0.663 -10.450) 10.492 5.813 ( -1.682 -1.682 1.830) 3.002 6.014 ( 10.250 10.250 11.042) 18.222 6.045 ( -5.960 -5.960 -0.678) 8.457 6.446 ( 0.993 0.993 -5.503) 5.680 6.667 ( 7.011 7.011 -6.442) 11.824 6.774 ( 0.802 0.802 -0.340) 1.184 6.936 ( 1.698 1.698 2.202) 3.258 7.116 ( 0.659 0.659 0.038) 0.933 7.189 ( -1.323 -1.323 0.290) 1.894 7.505 ( 2.821 2.821 8.683) 9.556 7.559 ( 3.983 3.983 5.620) 7.957 7.623 ( 3.512 3.512 1.056) 5.077 7.792 ( 0.356 0.356 -0.312) 0.593 8.059 ( 6.782 6.782 -5.347) 10.981 8.187 ( -0.629 -0.629 5.651) 5.721 8.488 ( -2.411 -2.411 -3.079) 4.594 8.629 ( -0.095 -0.095 0.369) 0.393 8.809 ( -5.237 -5.237 -4.529) 8.681 9.398 ( -6.313 -6.313 1.494) 9.052 13.829 ( 7.057 7.057 -3.719) 10.650 13.858 ( 1.318 1.318 0.270) 1.883 14.084 ( 0.576 0.576 6.248) 6.300 14.207 ( 6.339 6.339 0.030) 8.965 15.700 ( 0.952 0.952 1.470) 1.994 15.835 ( 1.790 1.790 -1.625) 3.007 16.007 ( -1.289 -1.289 -5.270) 5.577 16.227 ( 0.197 0.197 -2.240) 2.258 16.503 ( -1.987 -1.987 2.153) 3.540 16.566 ( -1.854 -1.854 -0.235) 2.632 16.629 ( -5.869 -5.869 1.760) 8.484 16.718 ( -7.782 -7.782 1.048) 11.055 ======================= Grid point 158 (38/63) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 18.430 -6.937 3.976) 20.090 1.772 ( 8.147 2.185 10.684) 13.613 1.887 ( 5.054 -1.824 -6.526) 8.453 2.036 ( -4.516 -2.217 0.344) 5.043 2.147 ( -3.002 -8.887 1.961) 9.583 2.344 ( -5.706 -5.543 1.159) 8.039 2.401 ( 3.121 4.235 -1.265) 5.411 2.410 ( -2.328 -4.760 3.682) 6.452 2.456 ( 4.632 7.291 0.417) 8.648 2.641 ( -10.619 -8.900 7.191) 15.610 3.314 ( 3.804 -5.170 -2.971) 7.073 3.588 ( -9.814 -10.134 0.144) 14.108 3.863 ( -9.566 -12.783 -2.062) 16.098 3.869 ( -8.479 -11.182 -0.161) 14.034 4.132 ( -0.977 -3.009 1.464) 3.486 4.186 ( -3.566 -4.319 0.260) 5.607 4.642 ( -0.159 -3.057 -0.203) 3.068 4.658 ( -0.540 -3.468 4.138) 5.426 4.819 ( 2.784 0.880 -3.444) 4.515 5.002 ( -6.159 -0.649 -1.139) 6.297 5.301 ( 4.985 -3.215 -6.635) 8.900 5.502 ( -4.084 -4.067 -8.590) 10.344 5.797 ( 5.182 4.770 -1.630) 7.229 5.823 ( 11.765 10.446 -2.419) 15.918 5.929 ( -3.681 -1.889 -0.419) 4.159 6.265 ( 12.646 11.025 9.764) 19.412 6.405 ( -6.100 8.924 -3.827) 11.467 6.692 ( -5.230 8.573 3.863) 10.760 6.844 ( 7.255 6.638 -4.918) 10.995 6.930 ( -0.503 6.070 1.567) 6.289 7.081 ( -3.808 4.049 -1.654) 5.799 7.139 ( -3.935 1.388 -0.755) 4.240 7.540 ( 2.879 4.943 6.749) 8.847 7.636 ( 1.395 1.759 5.056) 5.532 7.701 ( 4.041 0.693 3.235) 5.223 7.797 ( -0.091 -1.958 2.851) 3.460 8.130 ( 0.937 7.828 -4.042) 8.860 8.173 ( -1.004 1.848 1.284) 2.464 8.472 ( 2.263 -7.304 -3.470) 8.397 8.681 ( -4.658 -5.454 -4.891) 8.682 8.766 ( 9.056 -6.777 0.659) 11.330 9.231 ( -10.454 -8.237 1.048) 13.350 13.894 ( 2.248 -0.028 0.380) 2.280 13.938 ( 2.655 3.464 -2.076) 4.833 14.118 ( 3.843 7.426 3.854) 9.207 14.271 ( 0.093 12.482 0.091) 12.483 15.711 ( 0.639 1.931 1.034) 2.282 15.803 ( -3.331 4.705 -1.002) 5.851 16.069 ( 5.612 -9.735 -4.226) 12.006 16.226 ( -0.759 -2.727 -4.554) 5.362 16.449 ( -2.773 -7.273 3.553) 8.556 16.502 ( -3.896 -4.979 1.836) 6.583 16.569 ( -1.033 -1.208 0.629) 1.709 16.600 ( -3.771 -4.896 0.494) 6.200 ======================= Grid point 159 (39/63) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -13.710 -5.425 0.521) 14.753 1.776 ( 13.710 -5.425 0.521) 14.753 1.951 ( -8.704 -6.961 6.343) 12.824 1.951 ( 8.704 -6.961 6.343) 12.824 2.171 ( -8.771 -6.478 -2.885) 11.279 2.171 ( 8.771 -6.478 -2.885) 11.279 2.442 ( -7.030 -8.789 6.096) 12.799 2.442 ( 7.030 -8.789 6.096) 12.799 2.493 ( -1.591 7.255 0.562) 7.448 2.493 ( 1.591 7.255 0.562) 7.448 3.419 ( -6.957 -8.709 -2.085) 11.340 3.419 ( 6.957 -8.709 -2.085) 11.340 3.773 ( -1.309 -10.847 -0.360) 10.932 3.773 ( 1.309 -10.847 -0.360) 10.932 4.135 ( -1.403 -3.471 0.699) 3.808 4.135 ( 1.403 -3.471 0.699) 3.808 4.649 ( -0.501 -3.640 2.833) 4.639 4.649 ( 0.501 -3.640 2.833) 4.639 4.894 ( -4.719 0.640 -3.276) 5.780 4.894 ( 4.719 0.640 -3.276) 5.780 5.405 ( -5.309 -4.837 -7.817) 10.616 5.405 ( 5.309 -4.837 -7.817) 10.616 5.840 ( -2.835 -1.268 0.108) 3.108 5.840 ( 2.835 -1.268 0.108) 3.108 6.165 ( -15.348 14.716 -5.205) 21.891 6.165 ( 15.348 14.716 -5.205) 21.891 6.524 ( -11.209 11.539 10.030) 18.958 6.524 ( 11.209 11.539 10.030) 18.958 6.946 ( -1.143 6.398 -4.153) 7.713 6.946 ( 1.143 6.398 -4.153) 7.713 7.044 ( -3.541 4.598 -0.169) 5.806 7.044 ( 3.541 4.598 -0.169) 5.806 7.610 ( -3.308 3.371 4.337) 6.412 7.610 ( 3.308 3.371 4.337) 6.412 7.771 ( -2.701 -1.677 4.776) 5.738 7.771 ( 2.701 -1.677 4.776) 5.738 8.146 ( -1.267 4.662 -1.854) 5.175 8.146 ( 1.267 4.662 -1.854) 5.175 8.563 ( -6.009 -6.807 -4.366) 10.075 8.563 ( 6.009 -6.807 -4.366) 10.075 9.000 ( -12.626 -8.933 0.793) 15.487 9.000 ( 12.626 -8.933 0.793) 15.487 13.937 ( -1.756 -0.542 0.260) 1.856 13.937 ( 1.756 -0.542 0.260) 1.856 14.218 ( -4.899 13.918 0.739) 14.774 14.218 ( 4.899 13.918 0.739) 14.774 15.741 ( -2.548 2.872 0.213) 3.845 15.741 ( 2.548 2.872 0.213) 3.845 16.175 ( -4.457 -8.658 -5.183) 11.031 16.175 ( 4.457 -8.658 -5.183) 11.031 16.438 ( -1.886 -6.252 3.835) 7.573 16.438 ( 1.886 -6.252 3.835) 7.573 16.563 ( -0.480 -1.798 0.157) 1.867 16.563 ( 0.480 -1.798 0.157) 1.867 ======================= Grid point 169 (40/63) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.273 4.273 5.364) 8.081 1.823 ( 2.078 2.078 7.278) 7.850 1.876 ( 0.011 0.011 -4.147) 4.147 1.899 ( -13.022 -13.022 0.761) 18.431 2.026 ( -0.854 -0.854 0.020) 1.208 2.206 ( -7.470 -7.470 -4.668) 11.549 2.269 ( -3.812 -3.812 9.551) 10.967 2.435 ( -10.673 -10.673 8.655) 17.399 2.556 ( 7.042 7.042 -0.220) 9.961 2.609 ( 5.899 5.899 -0.054) 8.343 3.260 ( -0.507 -0.507 -4.290) 4.350 3.403 ( -8.059 -8.059 -2.957) 11.775 3.629 ( -7.129 -7.129 1.010) 10.133 3.704 ( -7.874 -7.874 3.595) 11.701 4.090 ( -1.348 -1.348 0.517) 1.975 4.117 ( -2.705 -2.705 -0.090) 3.826 4.605 ( -0.953 -0.953 3.140) 3.417 4.612 ( -1.356 -1.356 5.545) 5.867 4.855 ( 2.561 2.561 -6.045) 7.047 4.973 ( -2.497 -2.497 -5.388) 6.443 5.277 ( 0.925 0.925 -7.084) 7.204 5.408 ( -4.745 -4.745 -8.700) 10.987 5.789 ( 0.048 0.048 0.469) 0.474 5.860 ( -3.319 -3.319 -0.171) 4.697 6.159 ( 16.066 16.066 -4.937) 23.251 6.478 ( 5.910 5.910 0.004) 8.358 6.548 ( 8.032 8.032 7.537) 13.632 6.797 ( 0.370 0.370 -1.022) 1.148 6.931 ( 4.514 4.514 2.602) 6.893 7.024 ( 1.964 1.964 -1.556) 3.183 7.126 ( -1.113 -1.113 0.288) 1.601 7.129 ( 0.080 0.080 0.162) 0.197 7.617 ( 3.139 3.139 8.623) 9.698 7.674 ( 1.889 1.889 6.116) 6.674 7.742 ( 2.272 2.272 1.985) 3.776 7.771 ( -0.488 -0.488 2.389) 2.487 8.197 ( 1.398 1.398 -1.111) 2.268 8.272 ( 3.837 3.837 -5.928) 8.036 8.347 ( -2.972 -2.972 -2.262) 4.773 8.560 ( -6.695 -6.695 -4.671) 10.557 8.709 ( 1.769 1.769 0.099) 2.504 9.040 ( -10.839 -10.839 0.782) 15.348 13.901 ( 0.798 0.798 0.338) 1.178 13.948 ( -0.997 -0.997 0.269) 1.435 14.317 ( 10.649 10.649 0.628) 15.073 14.464 ( 6.025 6.025 -0.122) 8.522 15.732 ( 0.612 0.612 1.700) 1.908 15.889 ( -4.340 -4.340 -0.237) 6.143 15.898 ( 1.257 1.257 -1.905) 2.605 16.120 ( -7.445 -7.445 -4.300) 11.374 16.352 ( -1.481 -1.481 1.701) 2.698 16.417 ( -3.647 -3.647 0.808) 5.220 16.548 ( -0.892 -0.892 0.236) 1.283 16.550 ( -1.105 -1.105 0.988) 1.848 ======================= Grid point 170 (41/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -14.785 -10.336 3.555) 18.386 1.590 ( 14.785 -10.336 3.555) 18.386 1.869 ( -1.311 -2.196 3.029) 3.964 1.869 ( 1.311 -2.196 3.029) 3.964 2.074 ( -5.390 -3.432 -4.902) 8.054 2.074 ( 5.390 -3.432 -4.902) 8.054 2.275 ( -4.596 -6.207 9.429) 12.188 2.275 ( 4.596 -6.207 9.429) 12.188 2.652 ( -1.838 7.059 -0.028) 7.294 2.652 ( 1.838 7.059 -0.028) 7.294 3.288 ( -3.460 -4.562 -4.332) 7.180 3.288 ( 3.460 -4.562 -4.332) 7.180 3.590 ( -2.714 -7.234 3.476) 8.472 3.590 ( 2.714 -7.234 3.476) 8.472 4.083 ( -0.691 -1.924 0.097) 2.046 4.083 ( 0.691 -1.924 0.097) 2.046 4.598 ( -0.182 -1.577 5.337) 5.568 4.598 ( 0.182 -1.577 5.337) 5.568 4.913 ( -3.204 0.999 -7.170) 7.917 4.913 ( 3.204 0.999 -7.170) 7.917 5.325 ( -3.568 -2.926 -7.693) 8.971 5.325 ( 3.568 -2.926 -7.693) 8.971 5.807 ( -1.854 -1.410 0.057) 2.330 5.807 ( 1.854 -1.410 0.057) 2.330 6.420 ( -9.490 10.399 -3.759) 14.571 6.420 ( 9.490 10.399 -3.759) 14.571 6.726 ( -7.136 7.922 5.739) 12.108 6.726 ( 7.136 7.922 5.739) 12.108 7.009 ( -2.867 0.568 0.514) 2.968 7.009 ( 2.867 0.568 0.514) 2.968 7.117 ( -1.275 2.065 -0.054) 2.428 7.117 ( 1.275 2.065 -0.054) 2.428 7.674 ( -2.057 3.138 6.894) 7.849 7.674 ( 2.057 3.138 6.894) 7.849 7.768 ( -0.445 1.185 2.599) 2.891 7.768 ( 0.445 1.185 2.599) 2.891 8.232 ( -2.597 3.886 -3.053) 5.583 8.232 ( 2.597 3.886 -3.053) 5.583 8.429 ( -6.401 -6.244 -4.488) 10.006 8.429 ( 6.401 -6.244 -4.488) 10.006 8.830 ( -9.535 -7.484 0.351) 12.126 8.830 ( 9.535 -7.484 0.351) 12.126 13.923 ( -1.347 -0.583 0.428) 1.529 13.923 ( 1.347 -0.583 0.428) 1.529 14.479 ( -4.530 11.204 -0.109) 12.086 14.479 ( 4.530 11.204 -0.109) 12.086 15.772 ( -4.146 -0.456 1.341) 4.382 15.772 ( 4.146 -0.456 1.341) 4.382 15.990 ( -5.344 -7.646 -2.672) 9.703 15.990 ( 5.344 -7.646 -2.672) 9.703 16.362 ( -1.887 -2.007 0.425) 2.787 16.362 ( 1.887 -2.007 0.425) 2.787 16.539 ( -0.086 -0.803 0.655) 1.040 16.539 ( 0.086 -0.803 0.655) 1.040 ======================= Grid point 186 (42/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 0.000 4.968) 4.968 1.475 ( 0.000 0.000 4.968) 4.968 1.846 ( 0.000 0.000 1.176) 1.176 1.846 ( 0.000 0.000 1.176) 1.176 2.040 ( 0.000 0.000 -5.701) 5.701 2.040 ( 0.000 0.000 -5.701) 5.701 2.214 ( 0.000 0.000 10.727) 10.727 2.214 ( 0.000 0.000 10.727) 10.727 2.730 ( -0.000 -0.000 0.020) 0.020 2.730 ( 0.000 0.000 0.020) 0.020 3.242 ( 0.000 0.000 -4.819) 4.819 3.242 ( 0.000 0.000 -4.819) 4.819 3.513 ( 0.000 0.000 4.574) 4.574 3.513 ( 0.000 0.000 4.574) 4.574 4.063 ( 0.000 0.000 -0.001) 0.001 4.063 ( 0.000 0.000 -0.001) 0.001 4.583 ( 0.000 0.000 6.271) 6.271 4.583 ( 0.000 0.000 6.271) 6.271 4.924 ( -0.000 -0.000 -8.932) 8.932 4.924 ( 0.000 0.000 -8.932) 8.932 5.296 ( 0.000 0.000 -7.182) 7.182 5.296 ( 0.000 0.000 -7.182) 7.182 5.793 ( 0.000 0.000 -0.017) 0.017 5.793 ( 0.000 0.000 -0.017) 0.017 6.534 ( -0.000 -0.000 -1.554) 1.554 6.534 ( 0.000 0.000 -1.554) 1.554 6.804 ( 0.000 0.000 -1.318) 1.318 6.804 ( 0.000 0.000 -1.318) 1.318 7.011 ( -0.000 -0.000 6.388) 6.388 7.011 ( 0.000 0.000 6.388) 6.388 7.129 ( 0.000 0.000 0.249) 0.249 7.129 ( 0.000 0.000 0.249) 0.249 7.711 ( 0.000 0.000 6.111) 6.111 7.711 ( 0.000 0.000 6.111) 6.111 7.788 ( 0.000 0.000 2.534) 2.534 7.788 ( 0.000 0.000 2.534) 2.534 8.285 ( -0.000 -0.000 -1.239) 1.239 8.285 ( 0.000 0.000 -1.239) 1.239 8.349 ( -0.000 -0.000 -6.142) 6.142 8.349 ( 0.000 0.000 -6.142) 6.142 8.747 ( -0.000 -0.000 -0.110) 0.110 8.747 ( 0.000 0.000 -0.110) 0.110 13.917 ( 0.000 0.000 0.369) 0.369 13.917 ( 0.000 0.000 0.369) 0.369 14.601 ( 0.000 0.000 -0.360) 0.360 14.601 ( 0.000 0.000 -0.360) 0.360 15.745 ( 0.000 0.000 1.788) 1.788 15.745 ( 0.000 0.000 1.788) 1.788 15.924 ( 0.000 0.000 -2.018) 2.018 15.924 ( 0.000 0.000 -2.018) 2.018 16.343 ( 0.000 0.000 -0.452) 0.452 16.343 ( 0.000 0.000 -0.452) 0.452 16.531 ( 0.000 0.000 0.761) 0.761 16.531 ( 0.000 0.000 0.761) 0.761 ======================= Grid point 242 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 0.000 17.883) 17.883 0.742 ( -0.000 -0.000 17.883) 17.883 1.122 ( 0.000 -0.000 -16.550) 16.550 1.122 ( 0.000 0.000 -16.550) 16.550 1.347 ( 0.000 0.000 10.227) 10.227 1.552 ( 0.000 0.000 -9.956) 9.956 1.704 ( 0.000 0.000 38.334) 38.334 2.356 ( 0.000 0.000 -26.801) 26.801 2.831 ( 0.000 0.000 5.173) 5.173 2.831 ( 0.000 0.000 5.173) 5.173 3.246 ( -0.000 -0.000 -2.514) 2.514 3.246 ( 0.000 0.000 -2.514) 2.514 4.372 ( 0.000 0.000 3.691) 3.691 4.372 ( 0.000 0.000 3.691) 3.691 4.441 ( -0.000 -0.000 8.093) 8.093 4.602 ( 0.000 0.000 -7.784) 7.784 4.756 ( 0.000 0.000 -4.049) 4.049 4.756 ( -0.000 -0.000 -4.049) 4.049 4.767 ( 0.000 0.000 21.426) 21.426 4.959 ( 0.000 0.000 -1.635) 1.635 4.959 ( -0.000 0.000 -1.635) 1.635 5.294 ( 0.000 0.000 -30.757) 30.757 6.511 ( -0.000 -0.000 8.762) 8.762 6.511 ( 0.000 0.000 8.762) 8.762 6.672 ( 0.000 0.000 -4.328) 4.328 6.672 ( 0.000 0.000 -4.328) 4.328 6.900 ( -0.000 -0.000 11.199) 11.199 6.918 ( 0.000 0.000 3.198) 3.198 6.960 ( 0.000 -0.000 0.799) 0.799 6.960 ( 0.000 0.000 0.799) 0.799 6.980 ( 0.000 0.000 -2.925) 2.925 7.023 ( 0.000 0.000 -4.331) 4.331 7.023 ( 0.000 0.000 -4.331) 4.331 7.090 ( 0.000 0.000 -6.919) 6.919 7.349 ( 0.000 0.000 0.931) 0.931 7.349 ( 0.000 0.000 0.931) 0.931 7.458 ( -0.000 -0.000 7.730) 7.730 7.546 ( 0.000 0.000 -1.660) 1.660 8.502 ( 0.000 0.000 11.541) 11.541 8.778 ( 0.000 0.000 -15.537) 15.537 9.735 ( 0.000 0.000 7.063) 7.063 9.850 ( 0.000 0.000 -4.616) 4.616 13.743 ( 0.000 0.000 0.085) 0.085 13.743 ( 0.000 0.000 0.085) 0.085 13.831 ( 0.000 0.000 2.015) 2.015 13.872 ( 0.000 0.000 -2.038) 2.038 15.629 ( 0.000 0.000 0.610) 0.610 15.629 ( -0.000 -0.000 0.610) 0.610 15.697 ( -0.000 0.000 -0.667) 0.667 15.697 ( 0.000 0.000 -0.667) 0.667 16.553 ( 0.000 0.000 1.425) 1.425 16.583 ( 0.000 0.000 -1.530) 1.530 17.431 ( 0.000 0.000 2.119) 2.119 17.474 ( -0.000 -0.000 -2.027) 2.027 ======================= Grid point 243 (44/63) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 13.109 0.000 13.613) 18.898 0.933 ( 16.330 0.000 11.360) 19.893 1.256 ( 12.817 0.000 -13.014) 18.266 1.270 ( 13.721 0.000 -12.743) 18.726 1.427 ( 7.805 0.000 8.835) 11.789 1.609 ( 5.601 0.000 -9.035) 10.630 1.797 ( 9.424 0.000 34.385) 35.653 2.379 ( 2.249 0.000 -22.599) 22.711 2.842 ( 0.843 0.000 5.002) 5.073 2.871 ( 3.168 0.000 1.906) 3.698 3.291 ( 4.715 0.000 1.325) 4.897 3.344 ( 8.571 0.000 -3.321) 9.192 4.278 ( -7.413 0.000 2.048) 7.690 4.321 ( -5.721 0.000 -3.016) 6.468 4.439 ( -0.974 0.000 7.727) 7.789 4.584 ( -1.236 0.000 -6.548) 6.663 4.742 ( 2.600 0.000 8.366) 8.761 4.791 ( 2.498 0.000 -1.403) 2.865 4.923 ( 9.793 0.000 8.044) 12.673 4.992 ( 3.431 0.000 -0.575) 3.479 5.024 ( 5.971 0.000 -3.878) 7.119 5.335 ( 3.577 0.000 -27.712) 27.942 6.376 ( -10.814 0.000 8.053) 13.483 6.421 ( -9.414 0.000 7.542) 12.063 6.512 ( -12.368 0.000 -4.576) 13.188 6.543 ( -12.179 0.000 -3.840) 12.770 6.760 ( -12.097 0.000 3.862) 12.698 6.835 ( -9.809 0.000 -2.989) 10.254 6.859 ( -3.354 0.000 6.431) 7.253 6.953 ( -2.635 0.000 -3.279) 4.206 6.977 ( -2.691 0.000 0.893) 2.835 7.003 ( -2.276 0.000 -3.286) 3.997 7.057 ( 0.973 0.000 2.281) 2.480 7.152 ( 6.359 0.000 -5.511) 8.414 7.434 ( 8.396 0.000 4.790) 9.666 7.458 ( 7.556 0.000 5.305) 9.233 7.623 ( 7.308 0.000 -0.416) 7.320 7.635 ( 15.255 0.000 -3.874) 15.739 8.527 ( 2.006 0.000 11.318) 11.494 8.795 ( 1.233 0.000 -14.911) 14.962 9.653 ( -7.334 0.000 4.077) 8.391 9.672 ( -14.419 0.000 3.165) 14.762 13.782 ( -3.876 0.000 1.577) 4.184 13.792 ( 4.353 0.000 0.485) 4.380 13.800 ( 4.885 0.000 -0.006) 4.885 13.818 ( -4.419 0.000 -1.686) 4.730 15.628 ( -0.410 0.000 0.989) 1.070 15.652 ( -0.140 0.000 -1.534) 1.540 15.810 ( 10.319 0.000 -0.665) 10.341 15.812 ( 11.245 0.000 -1.331) 11.323 16.555 ( 0.222 0.000 1.362) 1.380 16.583 ( 0.085 0.000 -1.455) 1.458 17.352 ( -7.459 0.000 1.778) 7.668 17.380 ( -8.094 0.000 -0.735) 8.127 ======================= Grid point 244 (45/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 14.548 0.000 10.185) 17.759 1.275 ( 16.965 0.000 1.584) 17.039 1.577 ( 18.246 0.000 -6.615) 19.408 1.583 ( 15.861 0.000 -4.254) 16.421 1.636 ( 13.187 0.000 4.358) 13.888 1.758 ( 9.129 0.000 -6.702) 11.325 2.058 ( 16.115 0.000 23.504) 28.498 2.440 ( 3.697 0.000 -11.841) 12.405 2.856 ( 0.392 0.000 3.805) 3.825 2.922 ( 1.545 0.000 -3.953) 4.244 3.427 ( 8.607 0.000 8.485) 12.086 3.543 ( 11.436 0.000 -1.776) 11.573 4.137 ( -5.696 0.000 -2.909) 6.396 4.165 ( -9.155 0.000 -7.058) 11.560 4.412 ( -1.401 0.000 6.803) 6.946 4.550 ( -2.352 0.000 -6.665) 7.068 4.815 ( 4.074 0.000 5.527) 6.866 4.839 ( 2.537 0.000 0.883) 2.686 5.074 ( 5.098 0.000 2.041) 5.491 5.119 ( 8.445 0.000 5.615) 10.141 5.131 ( 3.307 0.000 -2.831) 4.353 5.406 ( 2.994 0.000 -20.876) 21.089 6.153 ( -11.917 0.000 4.722) 12.818 6.157 ( -16.096 0.000 4.235) 16.644 6.252 ( -15.641 0.000 -2.263) 15.804 6.262 ( -12.927 0.000 -2.765) 13.219 6.500 ( -13.019 0.000 5.138) 13.996 6.603 ( -11.884 0.000 -4.015) 12.544 6.812 ( -1.374 0.000 6.023) 6.178 6.878 ( -4.720 0.000 -1.436) 4.933 6.920 ( -5.359 0.000 -4.010) 6.693 6.944 ( -0.450 0.000 -6.509) 6.524 7.057 ( -1.738 0.000 7.817) 8.008 7.212 ( 0.124 0.000 -7.326) 7.327 7.634 ( 9.791 0.000 5.414) 11.189 7.637 ( 11.018 0.000 5.263) 12.211 7.801 ( 9.880 0.000 4.133) 10.710 7.938 ( 13.997 0.000 -8.635) 16.446 8.557 ( 0.692 0.000 10.583) 10.606 8.804 ( -0.810 0.000 -13.447) 13.472 9.420 ( -9.392 0.000 8.667) 12.780 9.502 ( -6.786 0.000 -0.395) 6.797 13.704 ( -3.487 0.000 0.438) 3.514 13.720 ( -4.536 0.000 -0.977) 4.640 13.904 ( 6.072 0.000 1.100) 6.171 13.909 ( 5.495 0.000 0.969) 5.580 15.615 ( -0.827 0.000 0.730) 1.103 15.637 ( -1.091 0.000 -1.571) 1.912 16.026 ( 9.008 0.000 -1.100) 9.075 16.036 ( 11.100 0.000 -1.643) 11.221 16.561 ( 0.428 0.000 1.202) 1.275 16.586 ( 0.205 0.000 -1.257) 1.273 17.174 ( -9.659 0.000 2.416) 9.956 17.214 ( -7.881 0.000 -1.354) 7.997 ======================= Grid point 245 (46/63) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 12.834 0.000 8.573) 15.434 1.571 ( 12.684 0.000 -3.336) 13.116 1.851 ( 11.928 0.000 1.239) 11.992 1.898 ( 12.087 0.000 -4.911) 13.047 1.917 ( 13.554 0.000 1.625) 13.651 1.966 ( 12.574 0.000 -2.969) 12.920 2.375 ( 14.474 0.000 11.237) 18.324 2.511 ( 3.265 0.000 -0.297) 3.279 2.856 ( -0.291 0.000 2.623) 2.639 2.926 ( -1.103 0.000 -4.314) 4.452 3.602 ( 8.470 0.000 11.222) 14.060 3.793 ( 13.857 0.000 -1.640) 13.953 3.997 ( -6.987 0.000 -4.939) 8.556 4.096 ( 2.290 0.000 -8.985) 9.272 4.393 ( -0.394 0.000 4.847) 4.863 4.497 ( -2.779 0.000 -5.334) 6.014 4.897 ( 4.422 0.000 2.192) 4.935 4.898 ( 3.537 0.000 1.198) 3.735 5.130 ( -3.117 0.000 1.901) 3.651 5.142 ( 0.993 0.000 0.034) 0.994 5.238 ( 2.838 0.000 4.142) 5.021 5.427 ( -1.692 0.000 -13.511) 13.616 5.829 ( -16.111 0.000 2.732) 16.341 5.862 ( -16.350 0.000 -0.407) 16.355 6.002 ( -12.966 0.000 1.248) 13.026 6.006 ( -9.631 0.000 0.132) 9.632 6.303 ( -6.337 0.000 4.855) 7.983 6.409 ( -7.516 0.000 -4.808) 8.922 6.795 ( -1.066 0.000 3.138) 3.314 6.797 ( -3.190 0.000 -1.905) 3.716 6.819 ( -3.858 0.000 -0.955) 3.974 6.943 ( 0.363 0.000 -9.195) 9.202 6.995 ( -4.160 0.000 8.454) 9.422 7.177 ( -3.199 0.000 -9.360) 9.892 7.822 ( 8.962 0.000 4.946) 10.236 7.839 ( 9.198 0.000 3.671) 9.903 7.981 ( 7.812 0.000 8.416) 11.483 8.144 ( 6.248 0.000 -5.368) 8.237 8.570 ( 1.436 0.000 5.928) 6.099 8.762 ( -2.985 0.000 -11.254) 11.643 9.312 ( -2.283 0.000 7.490) 7.831 9.406 ( -3.101 0.000 -2.349) 3.890 13.650 ( -2.554 0.000 -0.344) 2.577 13.650 ( -2.056 0.000 -0.511) 2.118 14.006 ( 4.277 0.000 2.384) 4.896 14.014 ( 4.770 0.000 1.267) 4.936 15.598 ( -0.812 0.000 0.244) 0.848 15.614 ( -1.168 0.000 -1.435) 1.850 16.153 ( 4.190 0.000 0.709) 4.249 16.207 ( 5.807 0.000 -4.548) 7.376 16.571 ( 0.588 0.000 0.997) 1.158 16.592 ( 0.331 0.000 -1.015) 1.067 17.009 ( -6.317 0.000 4.770) 7.916 17.086 ( -5.054 0.000 -2.898) 5.826 ======================= Grid point 246 (47/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 9.147 0.000 5.309) 10.576 1.758 ( 5.829 0.000 -3.607) 6.854 2.047 ( 7.408 0.000 0.090) 7.408 2.068 ( 5.979 0.000 -2.423) 6.451 2.135 ( 8.248 0.000 3.506) 8.962 2.181 ( 7.242 0.000 -0.901) 7.298 2.573 ( 3.498 0.000 4.611) 5.788 2.583 ( 6.547 0.000 3.427) 7.389 2.841 ( -1.477 0.000 1.635) 2.204 2.879 ( -3.471 0.000 -1.326) 3.715 3.749 ( 6.399 0.000 6.829) 9.358 3.897 ( -2.660 0.000 -5.440) 6.056 4.086 ( 14.326 0.000 2.286) 14.507 4.216 ( 8.172 0.000 -8.383) 11.707 4.399 ( 0.855 0.000 2.089) 2.258 4.450 ( -1.835 0.000 -2.981) 3.500 4.971 ( 2.577 0.000 0.261) 2.591 4.982 ( 3.138 0.000 -0.665) 3.207 5.046 ( -3.445 0.000 3.215) 4.712 5.094 ( -5.201 0.000 -1.610) 5.444 5.214 ( -3.831 0.000 2.735) 4.707 5.314 ( -8.776 0.000 -6.539) 10.944 5.570 ( -9.991 0.000 2.154) 10.221 5.585 ( -10.985 0.000 0.623) 11.002 5.813 ( -4.602 0.000 3.080) 5.538 5.864 ( -4.641 0.000 -2.112) 5.099 6.238 ( -0.999 0.000 3.183) 3.336 6.298 ( -4.113 0.000 -2.905) 5.035 6.745 ( -1.801 0.000 -1.732) 2.499 6.755 ( -1.302 0.000 -1.243) 1.800 6.808 ( 0.783 0.000 5.242) 5.300 6.908 ( -4.286 0.000 7.240) 8.413 6.964 ( 1.798 0.000 -11.171) 11.315 7.100 ( -4.362 0.000 -11.196) 12.015 7.977 ( 6.637 0.000 5.008) 8.314 7.997 ( 6.855 0.000 3.063) 7.508 8.087 ( 2.570 0.000 9.103) 9.459 8.183 ( -1.519 0.000 1.644) 2.239 8.621 ( 3.113 0.000 -1.568) 3.485 8.707 ( -2.241 0.000 -8.156) 8.458 9.303 ( 0.841 0.000 4.310) 4.392 9.363 ( -1.733 0.000 -1.786) 2.488 13.617 ( -0.894 0.000 -0.249) 0.928 13.621 ( -0.961 0.000 -0.740) 1.213 14.074 ( 2.526 0.000 2.861) 3.817 14.084 ( 2.265 0.000 1.639) 2.796 15.585 ( -0.411 0.000 -0.293) 0.505 15.594 ( -0.819 0.000 -1.189) 1.444 16.209 ( 1.974 0.000 -0.060) 1.974 16.262 ( 0.246 0.000 -5.449) 5.455 16.583 ( 0.584 0.000 0.710) 0.919 16.596 ( 0.054 0.000 -0.605) 0.607 16.940 ( -0.853 0.000 5.053) 5.125 17.008 ( -3.171 0.000 -1.850) 3.671 ======================= Grid point 247 (48/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.536 0.000 0.250) 2.549 1.790 ( 2.536 0.000 0.250) 2.549 2.126 ( -0.460 0.000 -0.966) 1.070 2.126 ( 0.460 0.000 -0.966) 1.070 2.233 ( -1.528 0.000 2.786) 3.177 2.233 ( 1.528 0.000 2.786) 3.177 2.636 ( -1.336 0.000 3.176) 3.445 2.636 ( 1.336 0.000 3.176) 3.445 2.822 ( -1.033 0.000 -0.280) 1.071 2.822 ( 1.033 0.000 -0.280) 1.071 3.847 ( -3.389 0.000 1.148) 3.579 3.847 ( 3.389 0.000 1.148) 3.579 4.296 ( -3.825 0.000 -2.551) 4.598 4.296 ( 3.825 0.000 -2.551) 4.598 4.419 ( -1.466 0.000 -0.899) 1.719 4.419 ( 1.466 0.000 -0.899) 1.719 4.951 ( -0.820 0.000 -0.950) 1.255 4.951 ( 0.820 0.000 -0.950) 1.255 5.064 ( -0.843 0.000 0.492) 0.976 5.064 ( 0.843 0.000 0.492) 0.976 5.186 ( -2.389 0.000 -1.670) 2.914 5.186 ( 2.389 0.000 -1.670) 2.914 5.458 ( -0.429 0.000 2.530) 2.566 5.458 ( 0.429 0.000 2.530) 2.566 5.803 ( -1.958 0.000 0.268) 1.976 5.803 ( 1.958 0.000 0.268) 1.976 6.243 ( -1.440 0.000 -0.274) 1.466 6.243 ( 1.440 0.000 -0.274) 1.466 6.736 ( -0.562 0.000 -0.113) 0.573 6.736 ( 0.562 0.000 -0.113) 0.573 6.839 ( -2.514 0.000 5.569) 6.110 6.839 ( 2.514 0.000 5.569) 6.110 7.018 ( -3.655 0.000 -12.090) 12.630 7.018 ( 3.655 0.000 -12.090) 12.630 8.073 ( -2.350 0.000 5.145) 5.656 8.073 ( 2.350 0.000 5.145) 5.656 8.119 ( -4.132 0.000 5.012) 6.495 8.119 ( 4.132 0.000 5.012) 6.495 8.671 ( -1.885 0.000 -5.018) 5.361 8.671 ( 1.885 0.000 -5.018) 5.361 9.330 ( -1.657 0.000 0.732) 1.812 9.330 ( 1.657 0.000 0.732) 1.812 13.610 ( -0.139 0.000 -0.511) 0.530 13.610 ( 0.139 0.000 -0.511) 0.530 14.103 ( -0.338 0.000 2.371) 2.395 14.103 ( 0.338 0.000 2.371) 2.395 15.583 ( -0.218 0.000 -0.796) 0.825 15.583 ( 0.218 0.000 -0.796) 0.825 16.243 ( -1.584 0.000 -2.921) 3.323 16.243 ( 1.584 0.000 -2.921) 3.323 16.593 ( -0.368 0.000 0.160) 0.401 16.593 ( 0.368 0.000 0.160) 0.402 16.956 ( -2.001 0.000 1.620) 2.575 16.956 ( 2.001 0.000 1.620) 2.575 ======================= Grid point 254 (49/63) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 4.652 4.652 16.252) 17.533 1.156 ( 13.255 13.255 8.371) 20.530 1.186 ( 3.128 3.128 -15.806) 16.414 1.501 ( 7.234 7.234 7.781) 12.853 1.526 ( 14.059 14.059 -6.195) 20.826 1.663 ( 5.371 5.371 -8.174) 11.158 1.912 ( 11.432 11.432 27.526) 31.923 2.406 ( 2.659 2.659 -19.103) 19.470 2.756 ( -3.765 -3.765 4.898) 7.234 2.990 ( 5.985 5.985 0.498) 8.478 3.243 ( -0.165 -0.165 -2.338) 2.349 3.499 ( 10.476 10.476 4.481) 15.479 4.193 ( -6.295 -6.295 -7.342) 11.539 4.296 ( -2.980 -2.980 2.129) 4.722 4.443 ( -0.981 -0.981 5.513) 5.684 4.559 ( -1.639 -1.639 -3.110) 3.879 4.780 ( 0.691 0.691 -2.984) 3.139 4.808 ( 3.502 3.502 9.512) 10.724 4.972 ( 0.731 0.731 -3.085) 3.254 5.006 ( 7.083 7.083 6.396) 11.885 5.107 ( 5.582 5.582 -2.763) 8.364 5.365 ( 2.381 2.381 -23.983) 24.218 6.185 ( -16.085 -16.085 2.876) 22.929 6.305 ( -7.817 -7.817 5.096) 12.173 6.373 ( -11.867 -11.867 3.074) 17.062 6.557 ( -6.049 -6.049 -3.499) 9.243 6.638 ( -11.002 -11.002 1.720) 15.654 6.703 ( -7.192 -7.192 -2.436) 10.458 6.754 ( -1.647 -1.647 1.339) 2.686 6.874 ( -4.930 -4.930 -4.331) 8.207 7.008 ( 1.344 1.344 -0.330) 1.929 7.173 ( 7.659 7.659 3.493) 11.381 7.175 ( 4.587 4.587 3.826) 7.531 7.305 ( 8.421 8.421 -4.918) 12.885 7.395 ( 2.264 2.264 0.828) 3.306 7.487 ( 2.497 2.497 7.143) 7.968 7.570 ( 2.457 2.457 -2.747) 4.429 7.822 ( 11.423 11.423 -2.202) 16.304 8.537 ( 0.690 0.690 11.096) 11.139 8.802 ( 0.407 0.407 -14.407) 14.419 9.475 ( -13.086 -13.086 5.154) 19.210 9.659 ( -3.423 -3.423 3.574) 6.017 13.679 ( -5.218 -5.218 -0.360) 7.388 13.761 ( 0.888 0.888 0.097) 1.259 13.881 ( 1.599 1.599 -0.280) 2.279 13.916 ( 6.763 6.763 0.993) 9.616 15.647 ( 0.855 0.855 0.839) 1.472 15.707 ( 0.475 0.475 -0.899) 1.123 15.737 ( 3.876 3.876 -2.117) 5.876 15.971 ( 9.068 9.068 -1.019) 12.864 16.555 ( 0.082 0.082 1.263) 1.268 16.584 ( 0.075 0.075 -1.342) 1.346 17.267 ( -7.601 -7.601 0.958) 10.792 17.315 ( -6.205 -6.205 0.413) 8.784 ======================= Grid point 255 (50/63) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 16.243 -5.161 11.254) 20.423 1.365 ( 13.652 -4.776 -11.194) 18.289 1.425 ( 14.211 6.919 6.964) 17.272 1.688 ( 11.098 6.370 4.922) 13.710 1.775 ( 10.990 7.188 -2.159) 13.308 1.810 ( 9.392 5.019 -5.043) 11.783 2.196 ( 15.339 11.743 14.421) 24.107 2.475 ( 3.898 3.449 -9.179) 10.552 2.703 ( -1.447 -8.654 2.729) 9.189 3.044 ( -0.846 5.393 -1.178) 5.584 3.312 ( 6.803 -6.191 -0.544) 9.215 3.706 ( 9.562 10.214 11.142) 17.886 4.093 ( -3.171 -0.106 -14.366) 14.712 4.208 ( -4.849 0.375 -0.226) 4.869 4.403 ( -2.206 -1.331 4.607) 5.278 4.521 ( -2.551 -2.280 -2.720) 4.371 4.804 ( 2.211 -0.835 0.452) 2.406 4.865 ( 2.080 2.643 4.339) 5.490 5.038 ( 4.998 -2.634 -2.257) 6.084 5.134 ( 4.003 1.418 4.439) 6.143 5.190 ( 1.982 3.042 -0.367) 3.649 5.389 ( -0.855 -2.565 -16.072) 16.298 5.850 ( -16.500 -16.573 1.446) 23.431 6.107 ( -12.034 -7.269 3.826) 14.570 6.164 ( -6.888 -6.681 2.132) 9.830 6.359 ( -11.150 0.599 -2.053) 11.353 6.424 ( -9.882 -7.844 -0.490) 12.626 6.584 ( -7.989 -6.124 -3.769) 10.749 6.686 ( -3.717 0.949 1.313) 4.054 6.833 ( -0.695 -1.950 -2.027) 2.897 6.979 ( -3.893 5.663 -2.125) 7.193 7.108 ( -6.111 11.253 -0.036) 12.806 7.241 ( -0.488 13.302 7.061) 15.068 7.387 ( 0.308 12.925 -6.295) 14.380 7.595 ( 9.172 -5.936 5.801) 12.370 7.598 ( 12.164 -3.322 4.103) 13.260 7.704 ( 9.570 -2.646 -2.226) 10.175 8.060 ( 11.875 7.589 -2.740) 14.357 8.542 ( -0.241 -1.473 9.897) 10.009 8.795 ( -1.458 -0.960 -12.739) 12.858 9.232 ( -9.861 -12.915 5.536) 17.166 9.576 ( -4.274 2.368 2.237) 5.373 13.606 ( -2.088 -3.054 -0.917) 3.811 13.815 ( 3.844 -2.235 0.291) 4.456 13.874 ( -1.591 7.596 -0.088) 7.761 14.037 ( 5.166 6.431 2.211) 8.540 15.644 ( -1.231 2.827 0.956) 3.228 15.671 ( -1.218 3.143 -1.690) 3.771 15.919 ( 10.425 -5.294 -2.209) 11.899 16.129 ( 6.321 4.085 -0.673) 7.556 16.559 ( 0.248 -0.209 1.068) 1.116 16.586 ( 0.160 -0.014 -1.076) 1.088 17.101 ( -8.400 -6.578 1.227) 10.739 17.166 ( -8.034 -4.766 -0.036) 9.341 ======================= Grid point 256 (51/63) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 15.465 -4.061 6.027) 17.088 1.630 ( 11.616 2.224 -0.895) 11.861 1.746 ( 18.015 -7.311 -1.081) 19.473 1.911 ( 10.945 5.144 1.873) 12.237 1.961 ( 8.449 3.239 -2.921) 9.509 2.012 ( 9.917 3.073 0.203) 10.384 2.439 ( 7.212 3.895 6.081) 10.206 2.545 ( 3.928 2.955 2.519) 5.524 2.711 ( 2.338 -8.889 -1.247) 9.276 2.975 ( -5.591 0.555 0.175) 5.621 3.483 ( 10.234 -9.752 1.656) 14.233 3.834 ( 3.581 4.265 7.487) 9.330 4.011 ( -5.865 2.564 -9.372) 11.349 4.222 ( 6.429 6.723 -4.453) 10.313 4.373 ( -0.708 -1.786 3.875) 4.325 4.461 ( -3.194 -3.324 -3.579) 5.835 4.858 ( 2.909 -3.026 2.278) 4.775 4.910 ( 2.707 1.922 0.123) 3.322 5.043 ( -8.515 -8.234 0.602) 11.860 5.153 ( 1.363 -6.101 0.811) 6.304 5.195 ( -2.059 -4.103 -0.829) 4.665 5.329 ( -3.548 -3.052 -5.918) 7.545 5.599 ( -7.864 -9.428 0.331) 12.282 5.924 ( -6.040 1.059 0.857) 6.192 6.041 ( -7.672 -0.777 3.352) 8.408 6.128 ( -12.861 6.108 -3.269) 14.608 6.278 ( -3.522 -1.080 2.870) 4.670 6.437 ( -5.644 1.649 -4.587) 7.457 6.619 ( -2.384 -4.987 -1.020) 5.621 6.796 ( -4.048 3.218 3.921) 6.489 6.906 ( -2.320 1.259 -5.933) 6.494 6.996 ( -5.137 8.610 -2.843) 10.421 7.202 ( -2.472 14.702 6.706) 16.347 7.354 ( -3.045 12.966 -7.706) 15.387 7.775 ( 9.184 -4.214 4.297) 10.980 7.827 ( 9.923 -2.166 5.479) 11.540 7.893 ( 8.812 -4.643 0.968) 10.007 8.235 ( 4.369 5.637 0.157) 7.134 8.546 ( 1.447 -2.332 4.926) 5.639 8.744 ( -3.138 -1.878 -10.336) 10.963 9.124 ( -1.103 -12.777 3.486) 13.290 9.496 ( -4.025 3.444 1.052) 5.401 13.594 ( 0.705 0.241 -0.932) 1.194 13.811 ( -3.036 9.292 -0.154) 9.777 13.920 ( 5.023 -2.774 0.899) 5.808 14.111 ( 2.271 4.430 2.814) 5.718 15.616 ( -1.203 2.224 -0.206) 2.537 15.650 ( -1.150 3.141 -0.854) 3.452 16.098 ( 7.079 -4.716 -1.895) 8.715 16.215 ( 2.657 0.095 -1.996) 3.324 16.566 ( 0.480 -0.471 0.860) 1.092 16.591 ( 0.320 -0.181 -0.760) 0.844 16.956 ( -5.989 -5.260 3.927) 8.886 17.028 ( -5.705 -5.556 -2.039) 8.220 ======================= Grid point 257 (52/63) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 10.817 -0.987 3.464) 11.401 1.799 ( 4.910 3.222 -1.268) 6.008 2.061 ( 12.173 -4.342 -1.804) 13.049 2.096 ( 7.258 3.483 0.060) 8.051 2.110 ( 6.636 1.298 0.435) 6.775 2.172 ( 5.853 0.659 1.557) 6.092 2.487 ( 0.784 -5.108 4.092) 6.592 2.611 ( -0.002 -1.745 2.751) 3.257 2.776 ( 3.515 -5.664 0.759) 6.709 2.864 ( -4.164 -0.879 0.748) 4.321 3.697 ( 10.278 -8.761 5.584) 14.614 3.892 ( 4.142 -6.181 -2.309) 7.790 3.914 ( -3.667 1.347 -4.568) 6.011 4.285 ( -4.365 -6.167 -2.826) 8.067 4.374 ( 0.630 -1.751 1.281) 2.259 4.413 ( -1.364 -3.677 -1.856) 4.339 4.875 ( -3.516 -8.545 0.428) 9.250 4.904 ( 0.451 -6.301 1.347) 6.459 4.955 ( 0.354 -1.563 -1.911) 2.494 5.053 ( -5.882 -9.331 -0.336) 11.035 5.224 ( 4.009 2.207 1.216) 4.735 5.319 ( 2.408 5.841 -1.870) 6.589 5.525 ( -1.283 -4.980 -2.142) 5.571 5.783 ( -15.667 14.769 0.880) 21.549 5.853 ( -3.157 2.612 0.851) 4.184 5.922 ( -7.437 3.042 -0.589) 8.057 6.277 ( 1.982 3.243 5.473) 6.663 6.367 ( -2.110 7.321 -2.405) 7.990 6.606 ( 0.925 -6.463 -3.121) 7.237 6.703 ( -4.331 -0.500 1.121) 4.501 6.868 ( -1.855 2.798 -0.408) 3.382 6.911 ( -3.544 4.121 -2.559) 6.008 7.175 ( 0.216 14.717 0.334) 14.723 7.282 ( -3.946 13.031 -7.771) 15.677 7.941 ( 7.315 -3.429 4.951) 9.475 7.986 ( 6.399 -1.080 2.740) 7.044 8.026 ( 4.430 -4.129 5.663) 8.291 8.227 ( -3.952 2.412 4.149) 6.217 8.596 ( 2.811 -2.614 -2.170) 4.409 8.693 ( -2.081 -1.381 -7.145) 7.569 9.169 ( 4.994 -9.644 1.687) 10.990 9.407 ( -5.233 0.821 0.507) 5.321 13.626 ( 2.417 3.802 -0.767) 4.570 13.747 ( -3.323 9.293 -0.359) 9.876 14.016 ( 4.487 -2.796 1.617) 5.529 14.127 ( -0.616 1.625 2.694) 3.206 15.602 ( -0.243 1.912 -0.602) 2.019 15.626 ( -1.215 2.904 -0.690) 3.223 16.192 ( 2.884 -1.968 -1.207) 3.695 16.243 ( 0.288 -1.693 -4.197) 4.535 16.577 ( 0.676 -0.520 0.628) 1.059 16.596 ( 0.064 -0.168 -0.404) 0.442 16.879 ( -1.612 -5.935 4.669) 7.722 16.940 ( -3.489 -6.648 -1.524) 7.661 ======================= Grid point 258 (53/63) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -4.004 1.472 0.401) 4.285 1.807 ( 4.004 1.472 0.401) 4.285 2.170 ( -0.216 4.182 -0.455) 4.212 2.170 ( 0.216 4.182 -0.455) 4.212 2.217 ( -2.021 -1.647 1.945) 3.253 2.217 ( 2.021 -1.647 1.945) 3.253 2.540 ( -4.885 -8.225 1.837) 9.741 2.540 ( 4.886 -8.225 1.837) 9.741 2.824 ( -1.348 -1.229 1.691) 2.487 2.824 ( 1.348 -1.229 1.691) 2.487 3.835 ( -4.702 -1.937 2.948) 5.878 3.835 ( 4.702 -1.937 2.948) 5.878 4.080 ( -13.118 -16.239 -5.349) 21.550 4.080 ( 13.118 -16.239 -5.349) 21.550 4.389 ( -1.180 -4.451 -0.094) 4.605 4.389 ( 1.180 -4.451 -0.094) 4.605 4.876 ( -1.742 -10.335 0.211) 10.482 4.876 ( 1.742 -10.335 0.211) 10.482 4.979 ( -2.487 -0.659 -0.031) 2.573 4.979 ( 2.487 -0.659 -0.031) 2.573 5.350 ( -3.931 9.875 -1.536) 10.739 5.350 ( 3.931 9.875 -1.536) 10.739 5.525 ( -5.350 4.470 -0.388) 6.982 5.525 ( 5.350 4.470 -0.388) 6.982 5.834 ( -1.521 3.958 0.770) 4.309 5.834 ( 1.521 3.958 0.770) 4.309 6.325 ( -2.508 7.626 2.648) 8.454 6.325 ( 2.508 7.626 2.648) 8.454 6.640 ( -2.278 -4.799 -2.675) 5.948 6.640 ( 2.278 -4.799 -2.675) 5.948 6.858 ( -1.367 3.227 0.705) 3.575 6.858 ( 1.367 3.227 0.705) 3.575 7.210 ( -3.069 13.604 -5.548) 15.009 7.210 ( 3.069 13.604 -5.548) 15.009 8.037 ( -1.849 -3.169 5.011) 6.210 8.037 ( 1.849 -3.169 5.011) 6.210 8.121 ( -6.048 -0.104 4.334) 7.441 8.121 ( 6.048 -0.104 4.334) 7.441 8.649 ( -2.566 -2.238 -4.722) 5.821 8.649 ( 2.566 -2.238 -4.722) 5.821 9.290 ( -6.535 -4.006 0.659) 7.693 9.290 ( 6.535 -4.006 0.659) 7.693 13.682 ( -3.154 7.048 -0.568) 7.743 13.682 ( 3.154 7.048 -0.568) 7.743 14.091 ( -2.926 -1.035 2.227) 3.820 14.091 ( 2.926 -1.035 2.227) 3.820 15.607 ( -0.688 2.296 -0.687) 2.494 15.607 ( 0.688 2.296 -0.687) 2.494 16.231 ( -1.346 -1.297 -2.880) 3.434 16.231 ( 1.346 -1.297 -2.880) 3.434 16.590 ( -0.589 -0.270 0.234) 0.689 16.590 ( 0.589 -0.270 0.234) 0.689 16.886 ( -1.876 -6.935 1.613) 7.363 16.886 ( 1.876 -6.935 1.613) 7.363 ======================= Grid point 266 (54/63) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 6.629 6.629 13.345) 16.308 1.352 ( 5.025 5.025 -14.009) 15.709 1.601 ( 9.257 9.257 11.825) 17.642 1.853 ( 9.810 9.810 3.069) 14.208 1.908 ( 6.157 6.157 -3.752) 9.482 1.942 ( 8.427 8.427 -4.005) 12.573 2.417 ( 8.933 8.933 5.461) 13.764 2.550 ( -6.388 -6.388 4.183) 9.956 2.567 ( 5.076 5.076 -3.505) 7.988 3.078 ( -3.159 -3.159 0.690) 4.521 3.232 ( -0.385 -0.385 -2.178) 2.245 3.872 ( 5.964 5.964 11.365) 14.153 4.165 ( -3.543 -3.543 0.071) 5.011 4.167 ( 5.730 5.730 -15.252) 17.271 4.351 ( -3.223 -3.223 1.833) 4.913 4.468 ( -3.532 -3.532 1.252) 5.149 4.792 ( -0.032 -0.032 1.892) 1.892 4.944 ( 4.537 4.537 3.523) 7.319 5.015 ( 1.341 1.341 -5.930) 6.226 5.051 ( -10.927 -10.927 1.225) 15.502 5.155 ( -9.237 -9.237 -2.814) 13.363 5.348 ( 0.841 0.841 -4.524) 4.678 5.592 ( -9.066 -9.066 1.399) 12.897 6.015 ( -1.783 -1.783 4.151) 4.857 6.017 ( -6.140 -6.140 2.639) 9.076 6.283 ( -7.024 -7.024 -1.425) 10.035 6.325 ( -1.683 -1.683 -4.312) 4.925 6.425 ( -5.573 -5.573 -4.968) 9.317 6.752 ( 0.589 0.589 0.702) 1.089 6.834 ( 1.745 1.745 -2.902) 3.810 7.062 ( 1.335 1.335 -0.866) 2.078 7.270 ( -0.113 -0.113 3.050) 3.054 7.473 ( 7.140 7.140 7.129) 12.360 7.507 ( 3.338 3.338 0.938) 4.813 7.546 ( 2.064 2.064 4.354) 5.242 7.632 ( 7.868 7.868 -7.429) 13.379 7.703 ( 3.294 3.294 -0.092) 4.660 8.207 ( 7.538 7.538 -0.651) 10.681 8.503 ( -2.161 -2.161 7.864) 8.437 8.756 ( -3.399 -3.399 -10.427) 11.481 8.993 ( -9.780 -9.780 3.720) 14.323 9.580 ( -1.785 -1.785 1.748) 3.071 13.591 ( 1.376 1.376 -1.380) 2.386 13.807 ( 1.391 1.391 0.126) 1.971 13.995 ( 4.195 4.195 -0.047) 5.932 14.138 ( 3.545 3.545 3.148) 5.920 15.691 ( 1.292 1.292 1.711) 2.504 15.737 ( 1.109 1.109 -1.783) 2.375 15.865 ( 2.308 2.308 -3.386) 4.703 16.187 ( 1.863 1.863 -0.381) 2.662 16.555 ( -0.122 -0.122 1.006) 1.020 16.585 ( -0.160 -0.160 -0.844) 0.874 16.951 ( -7.779 -7.779 0.869) 11.035 17.041 ( -7.490 -7.490 0.405) 10.601 ======================= Grid point 267 (55/63) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 16.157 -3.244 9.478) 19.011 1.545 ( 13.728 -3.968 -10.893) 17.968 1.781 ( 8.940 5.351 10.906) 15.083 2.012 ( 4.486 2.465 -4.388) 6.742 2.051 ( 9.692 8.121 0.718) 12.665 2.122 ( 9.140 8.069 -1.288) 12.260 2.430 ( -4.430 -6.382 3.600) 8.563 2.548 ( 3.541 -0.623 3.583) 5.076 2.635 ( 0.304 -0.877 -1.422) 1.698 2.958 ( -6.690 -1.212 2.039) 7.098 3.299 ( 6.080 -7.747 -1.487) 9.959 3.923 ( -1.395 2.975 6.324) 7.127 4.053 ( -6.580 0.452 -3.808) 7.616 4.231 ( -3.076 -5.951 -4.719) 8.194 4.312 ( -1.158 -5.409 -0.064) 5.532 4.383 ( -4.548 -4.741 0.445) 6.584 4.801 ( -0.508 -2.976 3.520) 4.637 4.820 ( -7.563 -9.537 -0.916) 12.207 4.897 ( -10.084 -13.891 1.111) 17.201 5.017 ( 0.675 3.615 -6.278) 7.276 5.144 ( 9.932 4.306 -1.516) 10.931 5.344 ( -2.052 -2.004 3.609) 4.610 5.473 ( -3.132 -3.526 -5.723) 7.416 5.931 ( -3.159 -6.090 1.864) 7.109 6.003 ( -2.289 6.049 3.855) 7.530 6.184 ( 0.025 -2.073 1.980) 2.866 6.293 ( -4.129 2.028 -1.397) 4.807 6.409 ( 4.478 1.791 -8.392) 9.679 6.697 ( -4.910 7.056 0.645) 8.620 6.870 ( 1.143 3.566 -0.177) 3.749 7.016 ( -5.693 7.406 -1.869) 9.526 7.158 ( -7.053 6.845 -0.284) 9.833 7.474 ( -1.909 11.834 5.835) 13.332 7.586 ( -1.304 8.690 -1.293) 8.882 7.687 ( 9.799 -3.014 3.811) 10.937 7.780 ( 9.873 -0.542 0.443) 9.898 7.845 ( 7.339 -0.660 -1.600) 7.541 8.315 ( 0.943 2.102 3.438) 4.138 8.487 ( 1.244 -3.223 1.969) 3.977 8.680 ( -2.436 -4.893 -7.317) 9.133 8.883 ( -1.385 -10.364 1.112) 10.515 9.511 ( -5.211 -1.960 1.074) 5.670 13.650 ( 4.375 5.144 -1.296) 6.876 13.857 ( 3.216 -0.786 0.242) 3.320 14.038 ( 0.388 10.137 0.034) 10.145 14.173 ( 0.028 1.748 3.294) 3.729 15.682 ( -1.743 3.976 0.662) 4.391 15.723 ( -0.897 4.029 -1.243) 4.311 15.989 ( 7.675 -5.767 -3.125) 10.096 16.208 ( 0.387 -0.710 -0.917) 1.223 16.555 ( 0.141 -0.648 1.004) 1.203 16.582 ( -0.065 -0.776 -0.618) 0.994 16.815 ( -5.901 -8.536 1.851) 10.541 16.892 ( -7.213 -7.682 -0.095) 10.538 ======================= Grid point 268 (56/63) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 14.055 -2.528 4.040) 14.841 1.823 ( 10.273 -3.513 -3.881) 11.530 1.951 ( 9.564 -2.067 2.575) 10.118 2.088 ( 4.042 -2.445 1.715) 5.026 2.219 ( 6.786 7.626 -0.371) 10.215 2.269 ( 4.887 7.926 -0.358) 9.319 2.365 ( -2.346 -7.581 2.519) 8.326 2.505 ( -7.944 -8.165 1.074) 11.442 2.650 ( 3.271 -6.602 1.385) 7.497 2.853 ( -4.666 -1.022 3.529) 5.939 3.454 ( 9.535 -12.437 -0.268) 15.674 3.826 ( -7.138 -5.743 3.851) 9.938 3.923 ( -6.203 -1.311 -3.591) 7.287 4.043 ( -12.976 -14.039 -5.027) 19.767 4.278 ( -1.937 -6.813 1.829) 7.315 4.306 ( -3.157 -6.605 -0.451) 7.335 4.723 ( -2.464 -8.231 -0.169) 8.594 4.759 ( -0.608 -3.850 -0.778) 3.974 4.866 ( 2.496 -4.895 4.254) 6.949 4.994 ( -3.260 -0.505 -3.922) 5.125 5.321 ( 2.508 -6.019 -0.972) 6.593 5.376 ( 6.246 5.812 -1.654) 8.691 5.465 ( 6.497 5.118 -4.668) 9.498 5.881 ( -2.270 -1.943 1.720) 3.447 5.914 ( -4.713 2.479 -0.312) 5.334 6.112 ( -11.393 13.350 -1.780) 17.641 6.318 ( 8.754 3.174 8.666) 12.720 6.534 ( 6.996 7.196 -7.924) 12.787 6.613 ( -3.377 7.776 2.051) 8.722 6.813 ( -7.901 9.637 1.520) 12.554 6.927 ( -0.980 4.415 -2.803) 5.321 7.032 ( -5.752 6.053 -1.238) 8.442 7.449 ( -0.265 12.387 2.842) 12.712 7.530 ( -3.437 11.447 -4.018) 12.609 7.861 ( 7.394 -4.119 5.269) 9.970 7.945 ( 4.142 -3.921 3.101) 6.492 7.970 ( 7.300 -0.119 0.176) 7.303 8.247 ( -6.132 -0.498 4.119) 7.404 8.518 ( 2.093 -5.106 -2.902) 6.235 8.653 ( -2.444 -2.747 -5.197) 6.367 8.963 ( 9.284 -10.685 0.803) 14.177 9.374 ( -8.604 -4.136 0.653) 9.569 13.752 ( 5.604 8.257 -1.009) 10.030 13.906 ( 0.514 2.201 0.002) 2.260 14.036 ( 0.607 8.898 0.657) 8.943 14.146 ( -2.562 0.620 2.723) 3.790 15.658 ( -0.362 3.620 -0.312) 3.651 15.699 ( -1.591 4.225 -0.407) 4.533 16.121 ( 5.232 -5.300 -3.075) 8.057 16.208 ( -0.296 -1.781 -1.952) 2.659 16.563 ( 0.737 -1.030 0.972) 1.597 16.584 ( 0.272 -1.173 -0.435) 1.280 16.723 ( -3.284 -9.572 3.196) 10.612 16.770 ( -4.983 -9.512 -0.431) 10.747 ======================= Grid point 269 (57/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -6.418 0.810 0.920) 6.534 1.834 ( 6.418 0.810 0.920) 6.534 2.144 ( -3.491 -5.534 1.066) 6.629 2.144 ( 3.491 -5.534 1.066) 6.629 2.286 ( -1.618 4.343 -0.743) 4.693 2.286 ( 1.618 4.343 -0.743) 4.693 2.364 ( -3.590 -6.711 1.332) 7.727 2.364 ( 3.590 -6.711 1.332) 7.727 2.747 ( -5.963 -6.465 3.801) 9.581 2.747 ( 5.963 -6.465 3.801) 9.581 3.659 ( -10.342 -15.743 2.166) 18.961 3.659 ( 10.342 -15.743 2.166) 18.961 3.865 ( -2.440 -4.744 -5.065) 7.356 3.865 ( 2.440 -4.744 -5.065) 7.356 4.263 ( -0.812 -7.068 0.751) 7.154 4.263 ( 0.812 -7.068 0.751) 7.154 4.734 ( -1.987 -4.160 -0.084) 4.611 4.734 ( 1.987 -4.160 -0.084) 4.611 4.924 ( -3.292 -3.824 0.666) 5.089 4.924 ( 3.292 -3.824 0.666) 5.089 5.371 ( -2.356 -5.567 -4.353) 7.449 5.371 ( 2.356 -5.567 -4.353) 7.449 5.735 ( -13.698 13.852 -0.683) 19.493 5.735 ( 13.698 13.852 -0.683) 19.493 5.913 ( -4.813 3.380 -0.013) 5.881 5.913 ( 4.813 3.380 -0.013) 5.881 6.503 ( -8.533 9.521 8.713) 15.472 6.503 ( 8.533 9.521 8.713) 15.472 6.665 ( -6.245 7.684 -7.335) 12.322 6.665 ( 6.245 7.684 -7.335) 12.322 6.943 ( -2.737 4.905 -0.028) 5.617 6.943 ( 2.737 4.905 -0.028) 5.617 7.470 ( -2.323 12.105 -1.894) 12.471 7.470 ( 2.323 12.105 -1.894) 12.471 7.960 ( -2.296 -4.330 4.639) 6.748 7.960 ( 2.296 -4.330 4.639) 6.748 8.113 ( -7.094 -0.608 2.236) 7.463 8.113 ( 7.094 -0.608 2.236) 7.463 8.582 ( -4.039 -4.533 -4.057) 7.302 8.582 ( 4.039 -4.533 -4.057) 7.302 9.177 ( -11.136 -7.249 0.524) 13.298 9.177 ( 11.136 -7.249 0.524) 13.298 13.857 ( -4.632 8.965 -0.670) 10.113 13.857 ( 4.632 8.965 -0.670) 10.113 14.083 ( -3.439 1.631 1.843) 4.229 14.083 ( 3.439 1.631 1.843) 4.229 15.668 ( -1.247 3.781 -0.372) 3.998 15.668 ( 1.247 3.781 -0.372) 3.998 16.190 ( -1.912 -3.078 -2.751) 4.550 16.190 ( 1.912 -3.078 -2.751) 4.550 16.581 ( -0.810 -0.745 0.453) 1.189 16.581 ( 0.810 -0.745 0.453) 1.189 16.702 ( -1.499 -10.924 1.473) 11.125 16.702 ( 1.499 -10.924 1.473) 11.125 ======================= Grid point 278 (58/63) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 6.224 6.224 10.749) 13.893 1.558 ( 5.124 5.124 -11.747) 13.802 1.884 ( 4.916 4.916 11.651) 13.568 2.054 ( 1.399 1.399 -5.399) 5.750 2.214 ( 6.606 6.606 0.172) 9.345 2.289 ( -1.744 -1.744 2.257) 3.343 2.303 ( 6.405 6.405 -0.053) 9.059 2.507 ( -6.766 -6.766 1.747) 9.727 2.569 ( -3.213 -3.213 0.189) 4.547 2.923 ( -3.656 -3.656 4.236) 6.684 3.212 ( -0.605 -0.605 -2.279) 2.435 3.861 ( -10.599 -10.599 6.127) 16.193 4.009 ( -4.787 -4.787 0.182) 6.772 4.013 ( -13.431 -13.431 -8.698) 20.891 4.216 ( -3.406 -3.406 1.504) 5.046 4.276 ( -5.515 -5.515 0.369) 7.809 4.665 ( -5.982 -5.982 -0.159) 8.461 4.717 ( -1.486 -1.486 -2.990) 3.655 4.781 ( -0.552 -0.552 5.649) 5.703 5.068 ( 1.252 1.252 -7.494) 7.700 5.185 ( -6.076 -6.076 2.117) 8.850 5.371 ( 4.094 4.094 -2.349) 6.249 5.456 ( 7.496 7.496 -4.537) 11.531 5.847 ( -2.525 -2.525 1.139) 3.748 6.031 ( -5.578 -5.578 -0.534) 7.907 6.216 ( 8.882 8.882 7.513) 14.637 6.362 ( 4.484 4.484 -1.478) 6.511 6.530 ( 8.476 8.476 -6.737) 13.750 6.775 ( 0.508 0.508 0.322) 0.787 6.939 ( 3.187 3.187 -0.621) 4.550 7.104 ( 0.727 0.727 -0.755) 1.276 7.208 ( -2.308 -2.308 0.754) 3.349 7.636 ( 3.030 3.030 0.620) 4.330 7.662 ( 3.349 3.349 5.739) 7.440 7.722 ( 5.346 5.346 9.508) 12.147 7.794 ( 1.216 1.216 -0.238) 1.737 7.914 ( 6.281 6.281 -9.033) 12.668 8.303 ( -3.255 -3.255 5.021) 6.812 8.433 ( -2.765 -2.765 -2.044) 4.412 8.599 ( -0.457 -0.457 -3.026) 3.094 8.739 ( -4.682 -4.682 -1.540) 6.798 9.423 ( -6.797 -6.797 0.765) 9.642 13.778 ( 7.292 7.292 -1.316) 10.397 13.863 ( 1.351 1.351 0.167) 1.917 14.183 ( -0.187 -0.187 3.025) 3.036 14.207 ( 6.192 6.192 -0.028) 8.757 15.740 ( 1.114 1.114 2.393) 2.865 15.793 ( 1.606 1.606 -2.489) 3.370 15.914 ( 0.207 0.207 -3.022) 3.036 16.191 ( -0.997 -0.997 -1.055) 1.761 16.538 ( -1.173 -1.173 1.284) 2.098 16.561 ( -1.385 -1.385 -0.418) 2.003 16.650 ( -7.212 -7.212 0.447) 10.208 16.742 ( -7.193 -7.193 0.942) 10.216 ======================= Grid point 279 (59/63) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 14.558 -4.190 8.012) 17.137 1.728 ( 11.178 -3.074 -9.041) 14.702 1.963 ( 1.893 0.681 6.496) 6.801 2.039 ( -2.355 -2.536 -0.176) 3.465 2.195 ( -2.009 -8.946 1.869) 9.357 2.310 ( -11.284 -10.606 -1.707) 15.579 2.386 ( 6.350 8.714 -0.408) 10.790 2.448 ( 4.934 9.087 0.073) 10.340 2.527 ( -0.539 -5.767 3.653) 6.848 2.788 ( -9.646 -6.316 5.513) 12.780 3.257 ( 4.347 -6.988 -1.995) 8.468 3.594 ( -13.640 -14.542 0.473) 19.944 3.790 ( -7.118 -9.969 -2.971) 12.604 3.886 ( -7.325 -4.999 0.486) 8.882 4.163 ( -1.986 -4.234 1.331) 4.863 4.187 ( -3.322 -5.062 -0.273) 6.061 4.639 ( 1.913 -0.972 0.064) 2.147 4.713 ( -0.060 -0.913 -2.513) 2.675 4.791 ( 1.799 -2.766 4.930) 5.933 4.985 ( -7.433 -0.743 -1.495) 7.618 5.170 ( 3.324 -7.044 -4.187) 8.843 5.322 ( -4.002 -5.255 -7.363) 9.892 5.757 ( 14.903 16.279 -0.733) 22.083 5.832 ( 2.808 -0.755 0.723) 2.996 5.920 ( -4.811 -2.451 -0.402) 5.414 6.303 ( -3.587 8.214 -1.612) 9.107 6.506 ( 10.653 13.034 9.187) 19.177 6.692 ( 6.020 8.818 -5.399) 11.964 6.761 ( 0.806 5.269 -0.975) 5.419 6.977 ( -0.416 5.830 2.610) 6.402 7.046 ( -4.953 6.744 -2.143) 8.637 7.121 ( -5.080 2.567 -0.508) 5.715 7.639 ( 0.673 7.041 2.421) 7.476 7.724 ( -2.384 7.542 2.810) 8.394 7.798 ( 6.221 -1.464 5.306) 8.307 7.875 ( 3.693 -2.698 4.393) 6.341 8.013 ( 4.217 4.632 -6.648) 9.134 8.212 ( -5.323 -2.647 1.748) 6.197 8.404 ( 1.081 -6.057 -2.371) 6.594 8.581 ( -4.678 -4.765 -3.951) 7.759 8.776 ( 9.728 -7.448 0.266) 12.254 9.249 ( -10.737 -8.453 0.536) 13.676 13.901 ( 2.766 0.780 0.274) 2.887 13.909 ( 4.423 4.736 -0.813) 6.531 14.181 ( 0.888 4.346 1.958) 4.849 14.272 ( 0.294 12.192 0.019) 12.196 15.733 ( -0.548 3.538 0.858) 3.681 15.783 ( -1.529 4.151 -0.693) 4.478 15.993 ( 5.599 -7.090 -2.559) 9.390 16.162 ( -2.260 -3.544 -1.749) 4.553 16.498 ( -2.310 -8.591 1.265) 8.985 16.527 ( -1.813 -4.528 0.680) 4.924 16.571 ( -1.246 -2.077 -0.234) 2.434 16.621 ( -4.674 -4.642 1.001) 6.664 ======================= Grid point 280 (60/63) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -9.612 -3.113 2.631) 10.440 1.818 ( 9.612 -3.113 2.631) 10.440 1.992 ( -7.452 -8.990 -1.719) 11.803 1.992 ( 7.452 -8.990 -1.720) 11.803 2.154 ( -1.464 -8.680 1.066) 8.866 2.154 ( 1.464 -8.680 1.066) 8.866 2.474 ( -2.403 8.412 -0.142) 8.750 2.474 ( 2.403 8.412 -0.142) 8.750 2.598 ( -7.706 -7.280 5.340) 11.870 2.598 ( 7.706 -7.280 5.340) 11.870 3.377 ( -8.246 -11.508 -1.556) 14.242 3.377 ( 8.246 -11.508 -1.556) 14.242 3.764 ( -3.736 -6.129 -0.435) 7.191 3.764 ( 3.736 -6.129 -0.435) 7.191 4.148 ( -0.567 -4.425 0.396) 4.478 4.148 ( 0.567 -4.425 0.396) 4.478 4.690 ( -2.351 -0.764 0.307) 2.491 4.690 ( 2.351 -0.764 0.307) 2.491 4.858 ( -5.029 -2.678 0.683) 5.739 4.858 ( 5.029 -2.678 0.683) 5.739 5.244 ( -3.912 -6.209 -6.340) 9.698 5.244 ( 3.912 -6.209 -6.340) 9.698 5.842 ( -2.659 -1.152 0.076) 2.899 5.842 ( 2.659 -1.152 0.076) 2.899 6.106 ( -14.691 14.630 -1.199) 20.768 6.106 ( 14.691 14.630 -1.199) 20.768 6.686 ( -5.465 8.507 5.667) 11.591 6.686 ( 5.465 8.507 5.667) 11.591 6.867 ( -7.218 10.613 -3.450) 13.291 6.867 ( 7.218 10.613 -3.450) 13.291 7.037 ( -2.744 4.412 -0.203) 5.200 7.037 ( 2.744 4.412 -0.203) 5.200 7.671 ( -2.441 7.910 1.514) 8.415 7.671 ( 2.441 7.910 1.514) 8.415 7.885 ( -2.361 -2.513 4.875) 5.971 7.885 ( 2.361 -2.513 4.875) 5.971 8.107 ( -5.249 0.370 -1.626) 5.508 8.107 ( 5.249 0.370 -1.626) 5.508 8.473 ( -5.242 -6.339 -3.412) 8.905 8.473 ( 5.242 -6.339 -3.412) 8.905 9.013 ( -12.815 -9.186 0.391) 15.772 9.013 ( 12.815 -9.186 0.391) 15.772 13.941 ( -0.977 0.230 0.146) 1.014 13.941 ( 0.977 0.230 0.146) 1.014 14.232 ( -3.513 12.396 0.483) 12.894 14.232 ( 3.513 12.396 0.483) 12.894 15.746 ( -1.759 3.846 0.185) 4.233 15.746 ( 1.759 3.846 0.185) 4.233 16.095 ( -4.452 -6.908 -2.352) 8.549 16.095 ( 4.452 -6.908 -2.352) 8.549 16.490 ( -1.427 -8.901 1.283) 9.105 16.490 ( 1.427 -8.901 1.283) 9.105 16.568 ( -0.962 -1.070 0.269) 1.464 16.568 ( 0.962 -1.070 0.269) 1.464 ======================= Grid point 290 (61/63) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 3.781 3.781 8.969) 10.442 1.729 ( 3.215 3.215 -9.461) 10.497 1.933 ( -8.944 -8.944 3.605) 13.152 1.955 ( -2.961 -2.961 2.895) 5.090 2.053 ( -4.242 -4.242 1.449) 6.172 2.106 ( -8.871 -8.871 -4.334) 13.273 2.434 ( -2.215 -2.215 5.493) 6.324 2.553 ( 7.390 7.390 -0.072) 10.452 2.608 ( 5.918 5.918 -0.076) 8.370 2.614 ( -9.779 -9.779 6.630) 15.336 3.186 ( -0.706 -0.706 -2.410) 2.609 3.349 ( -9.689 -9.689 -1.831) 13.824 3.640 ( -4.209 -4.209 0.120) 5.953 3.760 ( -7.215 -7.215 1.599) 10.328 4.102 ( -2.063 -2.063 0.648) 2.988 4.113 ( -2.541 -2.541 -0.360) 3.612 4.654 ( 1.904 1.904 1.246) 2.968 4.721 ( 0.977 0.977 -5.768) 5.931 4.754 ( -0.658 -0.658 7.258) 7.318 4.920 ( -5.750 -5.750 1.098) 8.205 5.109 ( 0.751 0.751 -8.079) 8.148 5.224 ( -4.419 -4.419 -7.792) 9.989 5.797 ( -0.386 -0.386 0.271) 0.609 5.856 ( -3.154 -3.154 -0.125) 4.462 6.108 ( 16.265 16.265 -0.863) 23.018 6.437 ( 3.596 3.596 -1.492) 5.299 6.728 ( 8.042 8.042 7.951) 13.877 6.789 ( 0.168 0.168 0.041) 0.242 6.882 ( 8.617 8.617 -5.180) 13.242 7.060 ( 2.627 2.627 2.343) 4.392 7.120 ( 0.156 0.156 -0.606) 0.645 7.131 ( -0.914 -0.914 0.095) 1.296 7.732 ( 1.765 1.765 0.621) 2.573 7.770 ( 0.517 0.517 4.107) 4.172 7.833 ( 2.951 2.951 4.001) 5.781 7.886 ( 2.903 2.903 10.653) 11.417 8.111 ( 3.565 3.565 -9.854) 11.069 8.161 ( -2.090 -2.090 -2.294) 3.741 8.310 ( -2.323 -2.323 -0.797) 3.380 8.466 ( -6.594 -6.594 -3.657) 10.016 8.710 ( 1.632 1.632 0.044) 2.308 9.052 ( -11.137 -11.137 0.374) 15.754 13.907 ( 0.825 0.825 0.208) 1.185 13.953 ( -0.329 -0.329 0.146) 0.488 14.330 ( 9.237 9.237 0.441) 13.071 14.461 ( 5.902 5.902 -0.100) 8.347 15.776 ( 0.692 0.692 2.443) 2.631 15.850 ( 1.156 1.156 -2.569) 3.045 15.887 ( -1.534 -1.534 0.024) 2.169 16.049 ( -7.299 -7.299 -2.209) 10.556 16.371 ( -2.852 -2.852 0.369) 4.051 16.433 ( -4.407 -4.407 0.488) 6.252 16.552 ( -0.422 -0.422 0.172) 0.621 16.570 ( -1.472 -1.472 0.650) 2.181 ======================= Grid point 291 (62/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -11.679 -7.522 6.987) 15.550 1.698 ( 11.679 -7.522 6.987) 15.550 1.848 ( -7.484 -5.194 -6.069) 10.947 1.848 ( 7.484 -5.194 -6.069) 10.947 2.015 ( -0.650 -4.883 -0.070) 4.927 2.015 ( 0.650 -4.883 -0.070) 4.927 2.460 ( -4.917 -4.385 6.560) 9.297 2.460 ( 4.917 -4.385 6.560) 9.297 2.652 ( -1.810 7.060 0.047) 7.289 2.652 ( 1.810 7.060 0.047) 7.289 3.217 ( -3.929 -5.062 -2.251) 6.792 3.217 ( 3.929 -5.062 -2.251) 6.792 3.640 ( -3.878 -5.597 1.329) 6.938 3.640 ( 3.878 -5.597 1.329) 6.938 4.084 ( -0.288 -2.146 0.061) 2.167 4.084 ( 0.288 -2.146 0.061) 2.167 4.698 ( -2.266 1.555 1.106) 2.963 4.698 ( 2.266 1.555 1.106) 2.963 4.808 ( -4.938 -2.781 0.571) 5.696 4.808 ( 4.938 -2.781 0.571) 5.696 5.151 ( -3.007 -2.973 -7.876) 8.939 5.151 ( 3.007 -2.973 -7.876) 8.939 5.808 ( -1.563 -1.514 0.027) 2.176 5.808 ( 1.563 -1.514 0.027) 2.176 6.376 ( -9.762 11.773 -0.940) 15.323 6.376 ( 9.762 11.773 -0.940) 15.323 6.796 ( -0.783 1.837 1.521) 2.511 6.796 ( 0.783 1.837 1.521) 2.511 7.037 ( -6.066 6.422 1.104) 8.903 7.037 ( 6.066 6.422 1.104) 8.903 7.111 ( -0.845 2.687 -0.028) 2.817 7.111 ( 0.845 2.687 -0.028) 2.817 7.757 ( -1.231 1.307 1.283) 2.207 7.757 ( 1.231 1.307 1.283) 2.207 7.899 ( -1.900 3.422 8.971) 9.787 7.899 ( 1.900 3.422 8.971) 9.787 8.136 ( -0.724 2.593 -6.397) 6.940 8.136 ( 0.724 2.593 -6.397) 6.940 8.344 ( -4.999 -6.300 -2.841) 8.530 8.344 ( 4.999 -6.300 -2.841) 8.530 8.835 ( -9.938 -8.007 0.151) 12.763 8.835 ( 9.938 -8.007 0.151) 12.763 13.931 ( -1.432 -0.657 0.263) 1.597 13.931 ( 1.432 -0.657 0.263) 1.597 14.477 ( -4.268 10.763 -0.067) 11.578 14.477 ( 4.268 10.763 -0.067) 11.578 15.805 ( -2.979 1.421 1.547) 3.646 15.805 ( 2.979 1.421 1.547) 3.646 15.934 ( -3.862 -7.588 -2.288) 8.816 15.934 ( 3.862 -7.588 -2.288) 8.816 16.368 ( -1.920 -3.540 0.175) 4.031 16.368 ( 1.920 -3.540 0.175) 4.031 16.552 ( -0.423 -0.656 0.412) 0.883 16.552 ( 0.423 -0.656 0.412) 0.883 ======================= Grid point 307 (63/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 0.000 8.381) 8.381 1.611 ( 0.000 0.000 8.381) 8.381 1.792 ( 0.000 0.000 -7.508) 7.508 1.792 ( 0.000 0.000 -7.508) 7.508 1.968 ( 0.000 0.000 -0.403) 0.403 1.968 ( 0.000 0.000 -0.403) 0.403 2.416 ( 0.000 0.000 7.007) 7.007 2.416 ( 0.000 0.000 7.007) 7.007 2.731 ( -0.000 -0.000 0.013) 0.013 2.731 ( 0.000 0.000 0.013) 0.013 3.167 ( 0.000 0.000 -2.202) 2.202 3.167 ( 0.000 0.000 -2.202) 2.202 3.578 ( 0.000 0.000 1.736) 1.736 3.578 ( 0.000 0.000 1.736) 1.736 4.063 ( 0.000 0.000 -0.001) 0.001 4.063 ( 0.000 0.000 -0.001) 0.001 4.739 ( -0.000 -0.000 7.743) 7.743 4.739 ( 0.000 0.000 7.743) 7.743 4.754 ( -0.000 -0.000 -5.945) 5.945 4.754 ( 0.000 0.000 -5.945) 5.945 5.124 ( 0.000 0.000 -8.240) 8.240 5.124 ( 0.000 0.000 -8.240) 8.240 5.793 ( 0.000 0.000 -0.010) 0.010 5.793 ( 0.000 0.000 -0.010) 0.010 6.513 ( -0.000 -0.000 -0.524) 0.524 6.513 ( 0.000 0.000 -0.524) 0.524 6.791 ( 0.000 0.000 -0.072) 0.072 6.791 ( 0.000 0.000 -0.072) 0.072 7.119 ( -0.000 -0.000 3.403) 3.403 7.119 ( 0.000 0.000 3.403) 3.403 7.122 ( -0.000 -0.000 -0.547) 0.547 7.122 ( -0.000 -0.000 -0.547) 0.547 7.768 ( 0.000 0.000 0.642) 0.642 7.768 ( 0.000 0.000 0.642) 0.642 7.944 ( 0.000 0.000 11.024) 11.024 7.944 ( 0.000 0.000 11.024) 11.024 8.183 ( 0.000 0.000 -10.112) 10.112 8.183 ( 0.000 0.000 -10.112) 10.112 8.262 ( -0.000 -0.000 -0.830) 0.830 8.262 ( 0.000 0.000 -0.830) 0.830 8.745 ( -0.000 -0.000 -0.075) 0.075 8.745 ( 0.000 0.000 -0.075) 0.075 13.924 ( 0.000 0.000 0.227) 0.227 13.924 ( 0.000 0.000 0.227) 0.227 14.595 ( 0.000 0.000 -0.221) 0.221 14.595 ( 0.000 0.000 -0.221) 0.221 15.790 ( 0.000 0.000 2.456) 2.456 15.790 ( 0.000 0.000 2.456) 2.456 15.874 ( 0.000 0.000 -2.598) 2.598 15.874 ( 0.000 0.000 -2.598) 2.598 16.336 ( 0.000 0.000 -0.243) 0.243 16.336 ( 0.000 0.000 -0.243) 0.243 16.545 ( 0.000 0.000 0.432) 0.432 16.545 ( 0.000 0.000 0.432) 0.432 =================== 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 3/27000 10.0 303.918 303.918 330.712 -0.000 -0.000 0.000 3/27000 20.0 125.351 125.351 120.705 -0.000 -0.000 0.000 3/27000 30.0 70.682 70.682 61.530 -0.000 -0.000 0.000 3/27000 40.0 41.934 41.934 34.721 -0.000 -0.000 0.000 3/27000 50.0 26.834 26.834 21.489 -0.000 -0.000 0.000 3/27000 60.0 18.648 18.648 14.553 -0.000 -0.000 0.000 3/27000 70.0 13.906 13.906 10.635 -0.000 -0.000 0.000 3/27000 80.0 10.955 10.955 8.248 -0.000 -0.000 0.000 3/27000 90.0 8.996 8.996 6.690 -0.000 -0.000 0.000 3/27000 100.0 7.622 7.622 5.613 -0.000 -0.000 0.000 3/27000 110.0 6.615 6.615 4.832 -0.000 -0.000 0.000 3/27000 120.0 5.848 5.848 4.244 -0.000 -0.000 0.000 3/27000 130.0 5.246 5.246 3.787 -0.000 -0.000 0.000 3/27000 140.0 4.762 4.762 3.421 -0.000 -0.000 0.000 3/27000 150.0 4.365 4.365 3.122 -0.000 -0.000 0.000 3/27000 160.0 4.032 4.032 2.874 -0.000 -0.000 0.000 3/27000 170.0 3.750 3.750 2.664 -0.000 -0.000 0.000 3/27000 180.0 3.507 3.507 2.483 -0.000 -0.000 0.000 3/27000 190.0 3.295 3.295 2.327 -0.000 -0.000 0.000 3/27000 200.0 3.109 3.109 2.190 -0.000 -0.000 0.000 3/27000 210.0 2.945 2.945 2.070 -0.000 -0.000 0.000 3/27000 220.0 2.798 2.798 1.962 -0.000 -0.000 0.000 3/27000 230.0 2.666 2.666 1.866 -0.000 -0.000 0.000 3/27000 240.0 2.546 2.546 1.778 -0.000 -0.000 0.000 3/27000 250.0 2.437 2.437 1.700 -0.000 -0.000 0.000 3/27000 260.0 2.338 2.338 1.628 -0.000 -0.000 0.000 3/27000 270.0 2.247 2.247 1.562 -0.000 -0.000 0.000 3/27000 280.0 2.163 2.163 1.501 -0.000 -0.000 0.000 3/27000 290.0 2.085 2.085 1.445 -0.000 -0.000 0.000 3/27000 300.0 2.013 2.013 1.393 -0.000 -0.000 0.000 3/27000 310.0 1.946 1.946 1.345 -0.000 -0.000 0.000 3/27000 320.0 1.883 1.883 1.301 -0.000 -0.000 0.000 3/27000 330.0 1.824 1.824 1.259 -0.000 -0.000 0.000 3/27000 340.0 1.769 1.769 1.220 -0.000 -0.000 0.000 3/27000 350.0 1.718 1.718 1.183 -0.000 -0.000 0.000 3/27000 360.0 1.669 1.669 1.149 -0.000 -0.000 0.000 3/27000 370.0 1.623 1.623 1.116 -0.000 -0.000 0.000 3/27000 380.0 1.580 1.580 1.085 -0.000 -0.000 0.000 3/27000 390.0 1.539 1.539 1.056 -0.000 -0.000 0.000 3/27000 400.0 1.500 1.500 1.029 -0.000 -0.000 0.000 3/27000 410.0 1.463 1.463 1.003 -0.000 -0.000 0.000 3/27000 420.0 1.427 1.427 0.978 -0.000 -0.000 0.000 3/27000 430.0 1.394 1.394 0.955 -0.000 -0.000 0.000 3/27000 440.0 1.362 1.362 0.932 -0.000 -0.000 0.000 3/27000 450.0 1.331 1.331 0.911 -0.000 -0.000 0.000 3/27000 460.0 1.302 1.302 0.891 -0.000 -0.000 0.000 3/27000 470.0 1.274 1.274 0.871 -0.000 -0.000 0.000 3/27000 480.0 1.248 1.248 0.852 -0.000 -0.000 0.000 3/27000 490.0 1.222 1.222 0.835 -0.000 -0.000 0.000 3/27000 500.0 1.197 1.197 0.818 -0.000 -0.000 0.000 3/27000 510.0 1.174 1.174 0.801 -0.000 -0.000 0.000 3/27000 520.0 1.151 1.151 0.785 -0.000 -0.000 0.000 3/27000 530.0 1.129 1.129 0.770 -0.000 -0.000 0.000 3/27000 540.0 1.108 1.108 0.756 -0.000 -0.000 0.000 3/27000 550.0 1.088 1.088 0.742 -0.000 -0.000 0.000 3/27000 560.0 1.069 1.069 0.728 -0.000 -0.000 0.000 3/27000 570.0 1.050 1.050 0.715 -0.000 -0.000 0.000 3/27000 580.0 1.032 1.032 0.703 -0.000 -0.000 0.000 3/27000 590.0 1.014 1.014 0.691 -0.000 -0.000 0.000 3/27000 600.0 0.997 0.997 0.679 -0.000 -0.000 0.000 3/27000 610.0 0.981 0.981 0.668 -0.000 -0.000 0.000 3/27000 620.0 0.965 0.965 0.657 -0.000 -0.000 0.000 3/27000 630.0 0.950 0.950 0.646 -0.000 -0.000 0.000 3/27000 640.0 0.935 0.935 0.636 -0.000 -0.000 0.000 3/27000 650.0 0.920 0.920 0.626 -0.000 -0.000 0.000 3/27000 660.0 0.906 0.906 0.616 -0.000 -0.000 0.000 3/27000 670.0 0.893 0.893 0.607 -0.000 -0.000 0.000 3/27000 680.0 0.880 0.880 0.598 -0.000 -0.000 0.000 3/27000 690.0 0.867 0.867 0.589 -0.000 -0.000 0.000 3/27000 700.0 0.855 0.855 0.581 -0.000 -0.000 0.000 3/27000 710.0 0.843 0.843 0.572 -0.000 -0.000 0.000 3/27000 720.0 0.831 0.831 0.564 -0.000 -0.000 0.000 3/27000 730.0 0.819 0.819 0.557 -0.000 -0.000 0.000 3/27000 740.0 0.808 0.808 0.549 -0.000 -0.000 0.000 3/27000 750.0 0.798 0.798 0.542 -0.000 -0.000 0.000 3/27000 760.0 0.787 0.787 0.534 -0.000 -0.000 0.000 3/27000 770.0 0.777 0.777 0.527 -0.000 -0.000 0.000 3/27000 780.0 0.767 0.767 0.520 -0.000 -0.000 0.000 3/27000 790.0 0.757 0.757 0.514 -0.000 -0.000 0.000 3/27000 800.0 0.748 0.748 0.507 -0.000 -0.000 0.000 3/27000 810.0 0.739 0.739 0.501 -0.000 -0.000 0.000 3/27000 820.0 0.730 0.730 0.495 -0.000 -0.000 0.000 3/27000 830.0 0.721 0.721 0.489 -0.000 -0.000 0.000 3/27000 840.0 0.712 0.712 0.483 -0.000 -0.000 0.000 3/27000 850.0 0.704 0.704 0.477 -0.000 -0.000 0.000 3/27000 860.0 0.696 0.696 0.472 -0.000 -0.000 0.000 3/27000 870.0 0.688 0.688 0.466 -0.000 -0.000 0.000 3/27000 880.0 0.680 0.680 0.461 -0.000 -0.000 0.000 3/27000 890.0 0.672 0.672 0.456 -0.000 -0.000 0.000 3/27000 900.0 0.665 0.665 0.451 -0.000 -0.000 0.000 3/27000 910.0 0.657 0.657 0.446 -0.000 -0.000 0.000 3/27000 920.0 0.650 0.650 0.441 -0.000 -0.000 0.000 3/27000 930.0 0.643 0.643 0.436 -0.000 -0.000 0.000 3/27000 940.0 0.636 0.636 0.431 -0.000 -0.000 0.000 3/27000 950.0 0.630 0.630 0.427 -0.000 -0.000 0.000 3/27000 960.0 0.623 0.623 0.422 -0.000 -0.000 0.000 3/27000 970.0 0.617 0.617 0.418 -0.000 -0.000 0.000 3/27000 980.0 0.610 0.610 0.414 -0.000 -0.000 0.000 3/27000 990.0 0.604 0.604 0.409 -0.000 -0.000 0.000 3/27000 1000.0 0.598 0.598 0.405 -0.000 -0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:42:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|