----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:02:04]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.879398869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.328386090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): *1 S 0.81157512344409 0.25000000000000 0.72171100277461 32.065 2 S 0.18842487655591 0.75000000000000 0.27828899722539 32.065 3 S 0.31157512344409 0.25000000000000 0.77828899722539 32.065 4 S 0.68842487655591 0.75000000000000 0.22171100277462 32.065 *5 S 0.98484164441002 0.25000000000000 0.09569940993331 32.065 6 S 0.01515835558998 0.75000000000000 0.90430059006668 32.065 7 S 0.48484164441002 0.25000000000000 0.40430059006669 32.065 8 S 0.51515835558998 0.75000000000000 0.59569940993332 32.065 *9 S 0.61478245918375 0.25000000000000 0.92807350830196 32.065 10 S 0.88521754081625 0.75000000000000 0.42807350830196 32.065 11 S 0.11478245918375 0.25000000000000 0.57192649169804 32.065 12 S 0.38521754081625 0.75000000000000 0.07192649169805 32.065 *13 Ba 0.25838598770659 0.25000000000000 0.96053669166483 137.327 *14 Ba 0.42365645136723 0.25000000000000 0.21509622860142 137.327 15 Ba 0.07634354863277 0.75000000000000 0.71509622860142 137.327 16 Ba 0.92365645136723 0.25000000000000 0.28490377139858 137.327 17 Ba 0.75838598770659 0.25000000000000 0.53946330833517 137.327 18 Ba 0.24161401229341 0.75000000000000 0.46053669166483 137.327 19 Ba 0.74161401229341 0.75000000000000 0.03946330833517 137.327 20 Ba 0.57634354863277 0.75000000000000 0.78490377139858 137.327 *21 Hg 0.62439842673782 0.75000000000000 0.36679359210203 200.590 22 Hg 0.37560157326218 0.25000000000000 0.63320640789797 200.590 23 Hg 0.12439842673782 0.75000000000000 0.13320640789797 200.590 24 Hg 0.87560157326218 0.25000000000000 0.86679359210203 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.879398869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.328386090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): *1 S 0.81157512344409 0.25000000000000 0.72171100277461 32.065 > 1 2 S 0.18842487655591 0.75000000000000 0.27828899722539 32.065 > 2 3 S 0.31157512344409 0.25000000000000 0.77828899722539 32.065 > 3 4 S 0.68842487655591 0.75000000000000 0.22171100277462 32.065 > 4 *5 S 0.98484164441002 0.25000000000000 0.09569940993331 32.065 > 5 6 S 0.01515835558998 0.75000000000000 0.90430059006668 32.065 > 6 7 S 0.48484164441002 0.25000000000000 0.40430059006669 32.065 > 7 8 S 0.51515835558998 0.75000000000000 0.59569940993332 32.065 > 8 *9 S 0.61478245918375 0.25000000000000 0.92807350830196 32.065 > 9 10 S 0.88521754081625 0.75000000000000 0.42807350830196 32.065 > 10 11 S 0.11478245918375 0.25000000000000 0.57192649169804 32.065 > 11 12 S 0.38521754081625 0.75000000000000 0.07192649169805 32.065 > 12 *13 Ba 0.25838598770659 0.25000000000000 0.96053669166483 137.327 > 13 *14 Ba 0.42365645136723 0.25000000000000 0.21509622860142 137.327 > 14 15 Ba 0.07634354863277 0.75000000000000 0.71509622860142 137.327 > 15 16 Ba 0.92365645136723 0.25000000000000 0.28490377139858 137.327 > 16 17 Ba 0.75838598770659 0.25000000000000 0.53946330833517 137.327 > 17 18 Ba 0.24161401229341 0.75000000000000 0.46053669166483 137.327 > 18 19 Ba 0.74161401229341 0.75000000000000 0.03946330833517 137.327 > 19 20 Ba 0.57634354863277 0.75000000000000 0.78490377139858 137.327 > 20 *21 Hg 0.62439842673782 0.75000000000000 0.36679359210203 200.590 > 21 22 Hg 0.37560157326218 0.25000000000000 0.63320640789797 200.590 > 22 23 Hg 0.12439842673782 0.75000000000000 0.13320640789797 200.590 > 23 24 Hg 0.87560157326218 0.25000000000000 0.86679359210203 200.590 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.758797739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.985158270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): *1 S 0.40578756172205 0.08333333333333 0.72171100277461 32.065 > 1 2 S 0.90578756172205 0.08333333333333 0.72171100277461 32.065 > 1 3 S 0.40578756172205 0.41666666666667 0.72171100277461 32.065 > 1 4 S 0.90578756172205 0.41666666666667 0.72171100277461 32.065 > 1 5 S 0.40578756172205 0.75000000000000 0.72171100277461 32.065 > 1 6 S 0.90578756172205 0.75000000000000 0.72171100277461 32.065 > 1 7 S 0.09421243827795 0.25000000000000 0.27828899722539 32.065 > 2 8 S 0.59421243827795 0.25000000000000 0.27828899722539 32.065 > 2 9 S 0.09421243827795 0.58333333333333 0.27828899722539 32.065 > 2 10 S 0.59421243827795 0.58333333333333 0.27828899722539 32.065 > 2 11 S 0.09421243827795 0.91666666666667 0.27828899722539 32.065 > 2 12 S 0.59421243827795 0.91666666666667 0.27828899722539 32.065 > 2 13 S 0.15578756172205 0.08333333333333 0.77828899722539 32.065 > 3 14 S 0.65578756172205 0.08333333333333 0.77828899722539 32.065 > 3 15 S 0.15578756172205 0.41666666666667 0.77828899722539 32.065 > 3 16 S 0.65578756172205 0.41666666666667 0.77828899722539 32.065 > 3 17 S 0.15578756172205 0.75000000000000 0.77828899722539 32.065 > 3 18 S 0.65578756172205 0.75000000000000 0.77828899722539 32.065 > 3 19 S 0.34421243827795 0.25000000000000 0.22171100277462 32.065 > 4 20 S 0.84421243827795 0.25000000000000 0.22171100277462 32.065 > 4 21 S 0.34421243827795 0.58333333333333 0.22171100277462 32.065 > 4 22 S 0.84421243827795 0.58333333333333 0.22171100277462 32.065 > 4 23 S 0.34421243827795 0.91666666666667 0.22171100277462 32.065 > 4 24 S 0.84421243827795 0.91666666666667 0.22171100277462 32.065 > 4 *25 S 0.49242082220501 0.08333333333333 0.09569940993331 32.065 > 5 26 S 0.99242082220501 0.08333333333333 0.09569940993331 32.065 > 5 27 S 0.49242082220501 0.41666666666667 0.09569940993331 32.065 > 5 28 S 0.99242082220501 0.41666666666667 0.09569940993331 32.065 > 5 29 S 0.49242082220501 0.75000000000000 0.09569940993331 32.065 > 5 30 S 0.99242082220501 0.75000000000000 0.09569940993331 32.065 > 5 31 S 0.00757917779499 0.25000000000000 0.90430059006668 32.065 > 6 32 S 0.50757917779499 0.25000000000000 0.90430059006668 32.065 > 6 33 S 0.00757917779499 0.58333333333333 0.90430059006668 32.065 > 6 34 S 0.50757917779499 0.58333333333333 0.90430059006668 32.065 > 6 35 S 0.00757917779499 0.91666666666667 0.90430059006668 32.065 > 6 36 S 0.50757917779499 0.91666666666667 0.90430059006668 32.065 > 6 37 S 0.24242082220501 0.08333333333333 0.40430059006669 32.065 > 7 38 S 0.74242082220501 0.08333333333333 0.40430059006669 32.065 > 7 39 S 0.24242082220501 0.41666666666667 0.40430059006669 32.065 > 7 40 S 0.74242082220501 0.41666666666667 0.40430059006669 32.065 > 7 41 S 0.24242082220501 0.75000000000000 0.40430059006669 32.065 > 7 42 S 0.74242082220501 0.75000000000000 0.40430059006669 32.065 > 7 43 S 0.25757917779499 0.25000000000000 0.59569940993332 32.065 > 8 44 S 0.75757917779499 0.25000000000000 0.59569940993332 32.065 > 8 45 S 0.25757917779499 0.58333333333333 0.59569940993332 32.065 > 8 46 S 0.75757917779499 0.58333333333333 0.59569940993332 32.065 > 8 47 S 0.25757917779499 0.91666666666667 0.59569940993332 32.065 > 8 48 S 0.75757917779499 0.91666666666667 0.59569940993332 32.065 > 8 *49 S 0.30739122959188 0.08333333333333 0.92807350830196 32.065 > 9 50 S 0.80739122959188 0.08333333333333 0.92807350830196 32.065 > 9 51 S 0.30739122959188 0.41666666666667 0.92807350830196 32.065 > 9 52 S 0.80739122959188 0.41666666666667 0.92807350830196 32.065 > 9 53 S 0.30739122959188 0.75000000000000 0.92807350830196 32.065 > 9 54 S 0.80739122959188 0.75000000000000 0.92807350830196 32.065 > 9 55 S 0.44260877040812 0.25000000000000 0.42807350830196 32.065 > 10 56 S 0.94260877040812 0.25000000000000 0.42807350830196 32.065 > 10 57 S 0.44260877040812 0.58333333333333 0.42807350830196 32.065 > 10 58 S 0.94260877040812 0.58333333333333 0.42807350830196 32.065 > 10 59 S 0.44260877040812 0.91666666666667 0.42807350830196 32.065 > 10 60 S 0.94260877040812 0.91666666666667 0.42807350830196 32.065 > 10 61 S 0.05739122959188 0.08333333333333 0.57192649169804 32.065 > 11 62 S 0.55739122959188 0.08333333333333 0.57192649169804 32.065 > 11 63 S 0.05739122959188 0.41666666666667 0.57192649169804 32.065 > 11 64 S 0.55739122959188 0.41666666666667 0.57192649169804 32.065 > 11 65 S 0.05739122959188 0.75000000000000 0.57192649169804 32.065 > 11 66 S 0.55739122959188 0.75000000000000 0.57192649169804 32.065 > 11 67 S 0.19260877040812 0.25000000000000 0.07192649169805 32.065 > 12 68 S 0.69260877040812 0.25000000000000 0.07192649169805 32.065 > 12 69 S 0.19260877040812 0.58333333333333 0.07192649169805 32.065 > 12 70 S 0.69260877040812 0.58333333333333 0.07192649169805 32.065 > 12 71 S 0.19260877040812 0.91666666666667 0.07192649169805 32.065 > 12 72 S 0.69260877040812 0.91666666666667 0.07192649169805 32.065 > 12 *73 Ba 0.12919299385329 0.08333333333333 0.96053669166483 137.327 > 13 74 Ba 0.62919299385329 0.08333333333333 0.96053669166483 137.327 > 13 75 Ba 0.12919299385329 0.41666666666667 0.96053669166483 137.327 > 13 76 Ba 0.62919299385329 0.41666666666667 0.96053669166483 137.327 > 13 77 Ba 0.12919299385329 0.75000000000000 0.96053669166483 137.327 > 13 78 Ba 0.62919299385329 0.75000000000000 0.96053669166483 137.327 > 13 *79 Ba 0.21182822568362 0.08333333333333 0.21509622860142 137.327 > 14 80 Ba 0.71182822568362 0.08333333333333 0.21509622860142 137.327 > 14 81 Ba 0.21182822568362 0.41666666666667 0.21509622860142 137.327 > 14 82 Ba 0.71182822568362 0.41666666666667 0.21509622860142 137.327 > 14 83 Ba 0.21182822568362 0.75000000000000 0.21509622860142 137.327 > 14 84 Ba 0.71182822568362 0.75000000000000 0.21509622860142 137.327 > 14 85 Ba 0.03817177431638 0.25000000000000 0.71509622860142 137.327 > 15 86 Ba 0.53817177431638 0.25000000000000 0.71509622860142 137.327 > 15 87 Ba 0.03817177431638 0.58333333333333 0.71509622860142 137.327 > 15 88 Ba 0.53817177431638 0.58333333333333 0.71509622860142 137.327 > 15 89 Ba 0.03817177431638 0.91666666666667 0.71509622860142 137.327 > 15 90 Ba 0.53817177431638 0.91666666666667 0.71509622860142 137.327 > 15 91 Ba 0.46182822568362 0.08333333333333 0.28490377139858 137.327 > 16 92 Ba 0.96182822568362 0.08333333333333 0.28490377139858 137.327 > 16 93 Ba 0.46182822568362 0.41666666666667 0.28490377139858 137.327 > 16 94 Ba 0.96182822568362 0.41666666666667 0.28490377139858 137.327 > 16 95 Ba 0.46182822568362 0.75000000000000 0.28490377139858 137.327 > 16 96 Ba 0.96182822568362 0.75000000000000 0.28490377139858 137.327 > 16 97 Ba 0.37919299385329 0.08333333333333 0.53946330833517 137.327 > 17 98 Ba 0.87919299385329 0.08333333333333 0.53946330833517 137.327 > 17 99 Ba 0.37919299385329 0.41666666666667 0.53946330833517 137.327 > 17 100 Ba 0.87919299385329 0.41666666666667 0.53946330833517 137.327 > 17 101 Ba 0.37919299385329 0.75000000000000 0.53946330833517 137.327 > 17 102 Ba 0.87919299385329 0.75000000000000 0.53946330833517 137.327 > 17 103 Ba 0.12080700614671 0.25000000000000 0.46053669166483 137.327 > 18 104 Ba 0.62080700614671 0.25000000000000 0.46053669166483 137.327 > 18 105 Ba 0.12080700614671 0.58333333333333 0.46053669166483 137.327 > 18 106 Ba 0.62080700614671 0.58333333333333 0.46053669166483 137.327 > 18 107 Ba 0.12080700614671 0.91666666666667 0.46053669166483 137.327 > 18 108 Ba 0.62080700614671 0.91666666666667 0.46053669166483 137.327 > 18 109 Ba 0.37080700614671 0.25000000000000 0.03946330833517 137.327 > 19 110 Ba 0.87080700614671 0.25000000000000 0.03946330833517 137.327 > 19 111 Ba 0.37080700614671 0.58333333333333 0.03946330833517 137.327 > 19 112 Ba 0.87080700614671 0.58333333333333 0.03946330833517 137.327 > 19 113 Ba 0.37080700614671 0.91666666666667 0.03946330833517 137.327 > 19 114 Ba 0.87080700614671 0.91666666666667 0.03946330833517 137.327 > 19 115 Ba 0.28817177431638 0.25000000000000 0.78490377139858 137.327 > 20 116 Ba 0.78817177431638 0.25000000000000 0.78490377139858 137.327 > 20 117 Ba 0.28817177431638 0.58333333333333 0.78490377139858 137.327 > 20 118 Ba 0.78817177431638 0.58333333333333 0.78490377139858 137.327 > 20 119 Ba 0.28817177431638 0.91666666666667 0.78490377139858 137.327 > 20 120 Ba 0.78817177431638 0.91666666666667 0.78490377139858 137.327 > 20 *121 Hg 0.31219921336891 0.25000000000000 0.36679359210203 200.590 > 21 122 Hg 0.81219921336891 0.25000000000000 0.36679359210203 200.590 > 21 123 Hg 0.31219921336891 0.58333333333333 0.36679359210203 200.590 > 21 124 Hg 0.81219921336891 0.58333333333333 0.36679359210203 200.590 > 21 125 Hg 0.31219921336891 0.91666666666667 0.36679359210203 200.590 > 21 126 Hg 0.81219921336891 0.91666666666667 0.36679359210203 200.590 > 21 127 Hg 0.18780078663109 0.08333333333333 0.63320640789797 200.590 > 22 128 Hg 0.68780078663109 0.08333333333333 0.63320640789797 200.590 > 22 129 Hg 0.18780078663109 0.41666666666667 0.63320640789797 200.590 > 22 130 Hg 0.68780078663109 0.41666666666667 0.63320640789797 200.590 > 22 131 Hg 0.18780078663109 0.75000000000000 0.63320640789797 200.590 > 22 132 Hg 0.68780078663109 0.75000000000000 0.63320640789797 200.590 > 22 133 Hg 0.06219921336891 0.25000000000000 0.13320640789797 200.590 > 23 134 Hg 0.56219921336891 0.25000000000000 0.13320640789797 200.590 > 23 135 Hg 0.06219921336891 0.58333333333333 0.13320640789797 200.590 > 23 136 Hg 0.56219921336891 0.58333333333333 0.13320640789797 200.590 > 23 137 Hg 0.06219921336891 0.91666666666667 0.13320640789797 200.590 > 23 138 Hg 0.56219921336891 0.91666666666667 0.13320640789797 200.590 > 23 139 Hg 0.43780078663109 0.08333333333333 0.86679359210203 200.590 > 24 140 Hg 0.93780078663109 0.08333333333333 0.86679359210203 200.590 > 24 141 Hg 0.43780078663109 0.41666666666667 0.86679359210203 200.590 > 24 142 Hg 0.93780078663109 0.41666666666667 0.86679359210203 200.590 > 24 143 Hg 0.43780078663109 0.75000000000000 0.86679359210203 200.590 > 24 144 Hg 0.93780078663109 0.75000000000000 0.86679359210203 200.590 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6055532 0.0000000 0.0000000 0.0000000 7.4912546 0.0000000 0.0000000 0.0000000 6.7204750 -------------------------- Born effective charges -------------------------- 1 S -2.3620970 0.0000000 0.0340567 0.0000000 -2.2775100 0.0000000 -0.1385210 0.0000000 -2.9338947 2 S -2.3620970 0.0000000 0.0340567 0.0000000 -2.2775100 0.0000000 -0.1385210 0.0000000 -2.9338947 3 S -2.3620970 0.0000000 -0.0340567 0.0000000 -2.2775100 0.0000000 0.1385210 0.0000000 -2.9338947 4 S -2.3620970 0.0000000 -0.0340567 0.0000000 -2.2775100 0.0000000 0.1385210 0.0000000 -2.9338947 5 S -2.2648158 0.0000000 -0.2481224 0.0000000 -3.6684345 0.0000000 -0.0848612 0.0000000 -2.0056787 6 S -2.2648158 0.0000000 -0.2481224 0.0000000 -3.6684345 0.0000000 -0.0848612 0.0000000 -2.0056787 7 S -2.2648158 0.0000000 0.2481224 0.0000000 -3.6684345 0.0000000 0.0848612 0.0000000 -2.0056787 8 S -2.2648158 0.0000000 0.2481224 0.0000000 -3.6684345 0.0000000 0.0848612 0.0000000 -2.0056787 9 S -2.8610984 0.0000000 0.0820939 0.0000000 -2.2454726 0.0000000 0.1504779 0.0000000 -2.4627119 10 S -2.8610984 0.0000000 -0.0820939 0.0000000 -2.2454726 0.0000000 -0.1504779 0.0000000 -2.4627119 11 S -2.8610984 0.0000000 -0.0820939 0.0000000 -2.2454726 0.0000000 -0.1504779 0.0000000 -2.4627119 12 S -2.8610984 0.0000000 0.0820939 0.0000000 -2.2454726 0.0000000 0.1504779 0.0000000 -2.4627119 13 Ba 3.0012325 0.0000000 0.0759038 0.0000000 2.4549022 0.0000000 0.1126992 0.0000000 3.1661029 14 Ba 2.5723355 0.0000000 0.4416367 0.0000000 2.9550243 0.0000000 0.6346230 0.0000000 2.2127559 15 Ba 2.5723355 0.0000000 -0.4416367 0.0000000 2.9550243 0.0000000 -0.6346230 0.0000000 2.2127559 16 Ba 2.5723355 0.0000000 -0.4416367 0.0000000 2.9550243 0.0000000 -0.6346230 0.0000000 2.2127559 17 Ba 3.0012325 0.0000000 -0.0759038 0.0000000 2.4549022 0.0000000 -0.1126992 0.0000000 3.1661029 18 Ba 3.0012325 0.0000000 -0.0759038 0.0000000 2.4549022 0.0000000 -0.1126992 0.0000000 3.1661029 19 Ba 3.0012325 0.0000000 0.0759038 0.0000000 2.4549022 0.0000000 0.1126992 0.0000000 3.1661029 20 Ba 2.5723355 0.0000000 0.4416367 0.0000000 2.9550243 0.0000000 0.6346230 0.0000000 2.2127559 21 Hg 1.9144432 0.0000000 0.0016866 0.0000000 2.7814906 0.0000000 0.0638643 0.0000000 2.0234265 22 Hg 1.9144432 0.0000000 0.0016866 0.0000000 2.7814906 0.0000000 0.0638643 0.0000000 2.0234265 23 Hg 1.9144432 0.0000000 -0.0016866 0.0000000 2.7814906 0.0000000 -0.0638643 0.0000000 2.0234265 24 Hg 1.9144432 0.0000000 -0.0016866 0.0000000 2.7814906 0.0000000 -0.0638643 0.0000000 2.0234265 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 0.784 Solver_block: 200 / 400 - Time: 0.759 Solver_block: 300 / 400 - Time: 0.761 Solver_block: 400 / 400 - Time: 0.756 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.135 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:02:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:02:30]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.879398869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.328386090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): 1 S 0.81157512344409 0.25000000000000 0.72171100277461 32.065 2 S 0.18842487655591 0.75000000000000 0.27828899722539 32.065 3 S 0.31157512344409 0.25000000000000 0.77828899722539 32.065 4 S 0.68842487655591 0.75000000000000 0.22171100277462 32.065 5 S 0.98484164441002 0.25000000000000 0.09569940993331 32.065 6 S 0.01515835558998 0.75000000000000 0.90430059006668 32.065 7 S 0.48484164441002 0.25000000000000 0.40430059006669 32.065 8 S 0.51515835558998 0.75000000000000 0.59569940993332 32.065 9 S 0.61478245918375 0.25000000000000 0.92807350830196 32.065 10 S 0.88521754081625 0.75000000000000 0.42807350830196 32.065 11 S 0.11478245918375 0.25000000000000 0.57192649169804 32.065 12 S 0.38521754081625 0.75000000000000 0.07192649169805 32.065 13 Ba 0.25838598770659 0.25000000000000 0.96053669166483 137.327 14 Ba 0.42365645136723 0.25000000000000 0.21509622860142 137.327 15 Ba 0.07634354863277 0.75000000000000 0.71509622860142 137.327 16 Ba 0.92365645136723 0.25000000000000 0.28490377139858 137.327 17 Ba 0.75838598770659 0.25000000000000 0.53946330833517 137.327 18 Ba 0.24161401229341 0.75000000000000 0.46053669166483 137.327 19 Ba 0.74161401229341 0.75000000000000 0.03946330833517 137.327 20 Ba 0.57634354863277 0.75000000000000 0.78490377139858 137.327 21 Hg 0.62439842673782 0.75000000000000 0.36679359210203 200.590 22 Hg 0.37560157326218 0.25000000000000 0.63320640789797 200.590 23 Hg 0.12439842673782 0.75000000000000 0.13320640789797 200.590 24 Hg 0.87560157326218 0.25000000000000 0.86679359210203 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.758797739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.985158270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): 1 S 0.40578756172205 0.08333333333333 0.72171100277461 32.065 > 1 2 S 0.90578756172205 0.08333333333333 0.72171100277461 32.065 > 1 3 S 0.40578756172205 0.41666666666667 0.72171100277461 32.065 > 1 4 S 0.90578756172205 0.41666666666667 0.72171100277461 32.065 > 1 5 S 0.40578756172205 0.75000000000000 0.72171100277461 32.065 > 1 6 S 0.90578756172205 0.75000000000000 0.72171100277461 32.065 > 1 7 S 0.09421243827795 0.25000000000000 0.27828899722539 32.065 > 7 8 S 0.59421243827795 0.25000000000000 0.27828899722539 32.065 > 7 9 S 0.09421243827795 0.58333333333333 0.27828899722539 32.065 > 7 10 S 0.59421243827795 0.58333333333333 0.27828899722539 32.065 > 7 11 S 0.09421243827795 0.91666666666667 0.27828899722539 32.065 > 7 12 S 0.59421243827795 0.91666666666667 0.27828899722539 32.065 > 7 13 S 0.15578756172205 0.08333333333333 0.77828899722539 32.065 > 13 14 S 0.65578756172205 0.08333333333333 0.77828899722539 32.065 > 13 15 S 0.15578756172205 0.41666666666667 0.77828899722539 32.065 > 13 16 S 0.65578756172205 0.41666666666667 0.77828899722539 32.065 > 13 17 S 0.15578756172205 0.75000000000000 0.77828899722539 32.065 > 13 18 S 0.65578756172205 0.75000000000000 0.77828899722539 32.065 > 13 19 S 0.34421243827795 0.25000000000000 0.22171100277462 32.065 > 19 20 S 0.84421243827795 0.25000000000000 0.22171100277462 32.065 > 19 21 S 0.34421243827795 0.58333333333333 0.22171100277462 32.065 > 19 22 S 0.84421243827795 0.58333333333333 0.22171100277462 32.065 > 19 23 S 0.34421243827795 0.91666666666667 0.22171100277462 32.065 > 19 24 S 0.84421243827795 0.91666666666667 0.22171100277462 32.065 > 19 25 S 0.49242082220501 0.08333333333333 0.09569940993331 32.065 > 25 26 S 0.99242082220501 0.08333333333333 0.09569940993331 32.065 > 25 27 S 0.49242082220501 0.41666666666667 0.09569940993331 32.065 > 25 28 S 0.99242082220501 0.41666666666667 0.09569940993331 32.065 > 25 29 S 0.49242082220501 0.75000000000000 0.09569940993331 32.065 > 25 30 S 0.99242082220501 0.75000000000000 0.09569940993331 32.065 > 25 31 S 0.00757917779499 0.25000000000000 0.90430059006668 32.065 > 31 32 S 0.50757917779499 0.25000000000000 0.90430059006668 32.065 > 31 33 S 0.00757917779499 0.58333333333333 0.90430059006668 32.065 > 31 34 S 0.50757917779499 0.58333333333333 0.90430059006668 32.065 > 31 35 S 0.00757917779499 0.91666666666667 0.90430059006668 32.065 > 31 36 S 0.50757917779499 0.91666666666667 0.90430059006668 32.065 > 31 37 S 0.24242082220501 0.08333333333333 0.40430059006669 32.065 > 37 38 S 0.74242082220501 0.08333333333333 0.40430059006669 32.065 > 37 39 S 0.24242082220501 0.41666666666667 0.40430059006669 32.065 > 37 40 S 0.74242082220501 0.41666666666667 0.40430059006669 32.065 > 37 41 S 0.24242082220501 0.75000000000000 0.40430059006669 32.065 > 37 42 S 0.74242082220501 0.75000000000000 0.40430059006669 32.065 > 37 43 S 0.25757917779499 0.25000000000000 0.59569940993332 32.065 > 43 44 S 0.75757917779499 0.25000000000000 0.59569940993332 32.065 > 43 45 S 0.25757917779499 0.58333333333333 0.59569940993332 32.065 > 43 46 S 0.75757917779499 0.58333333333333 0.59569940993332 32.065 > 43 47 S 0.25757917779499 0.91666666666667 0.59569940993332 32.065 > 43 48 S 0.75757917779499 0.91666666666667 0.59569940993332 32.065 > 43 49 S 0.30739122959188 0.08333333333333 0.92807350830196 32.065 > 49 50 S 0.80739122959188 0.08333333333333 0.92807350830196 32.065 > 49 51 S 0.30739122959188 0.41666666666667 0.92807350830196 32.065 > 49 52 S 0.80739122959188 0.41666666666667 0.92807350830196 32.065 > 49 53 S 0.30739122959188 0.75000000000000 0.92807350830196 32.065 > 49 54 S 0.80739122959188 0.75000000000000 0.92807350830196 32.065 > 49 55 S 0.44260877040812 0.25000000000000 0.42807350830196 32.065 > 55 56 S 0.94260877040812 0.25000000000000 0.42807350830196 32.065 > 55 57 S 0.44260877040812 0.58333333333333 0.42807350830196 32.065 > 55 58 S 0.94260877040812 0.58333333333333 0.42807350830196 32.065 > 55 59 S 0.44260877040812 0.91666666666667 0.42807350830196 32.065 > 55 60 S 0.94260877040812 0.91666666666667 0.42807350830196 32.065 > 55 61 S 0.05739122959188 0.08333333333333 0.57192649169804 32.065 > 61 62 S 0.55739122959188 0.08333333333333 0.57192649169804 32.065 > 61 63 S 0.05739122959188 0.41666666666667 0.57192649169804 32.065 > 61 64 S 0.55739122959188 0.41666666666667 0.57192649169804 32.065 > 61 65 S 0.05739122959188 0.75000000000000 0.57192649169804 32.065 > 61 66 S 0.55739122959188 0.75000000000000 0.57192649169804 32.065 > 61 67 S 0.19260877040812 0.25000000000000 0.07192649169805 32.065 > 67 68 S 0.69260877040812 0.25000000000000 0.07192649169805 32.065 > 67 69 S 0.19260877040812 0.58333333333333 0.07192649169805 32.065 > 67 70 S 0.69260877040812 0.58333333333333 0.07192649169805 32.065 > 67 71 S 0.19260877040812 0.91666666666667 0.07192649169805 32.065 > 67 72 S 0.69260877040812 0.91666666666667 0.07192649169805 32.065 > 67 73 Ba 0.12919299385329 0.08333333333333 0.96053669166483 137.327 > 73 74 Ba 0.62919299385329 0.08333333333333 0.96053669166483 137.327 > 73 75 Ba 0.12919299385329 0.41666666666667 0.96053669166483 137.327 > 73 76 Ba 0.62919299385329 0.41666666666667 0.96053669166483 137.327 > 73 77 Ba 0.12919299385329 0.75000000000000 0.96053669166483 137.327 > 73 78 Ba 0.62919299385329 0.75000000000000 0.96053669166483 137.327 > 73 79 Ba 0.21182822568362 0.08333333333333 0.21509622860142 137.327 > 79 80 Ba 0.71182822568362 0.08333333333333 0.21509622860142 137.327 > 79 81 Ba 0.21182822568362 0.41666666666667 0.21509622860142 137.327 > 79 82 Ba 0.71182822568362 0.41666666666667 0.21509622860142 137.327 > 79 83 Ba 0.21182822568362 0.75000000000000 0.21509622860142 137.327 > 79 84 Ba 0.71182822568362 0.75000000000000 0.21509622860142 137.327 > 79 85 Ba 0.03817177431638 0.25000000000000 0.71509622860142 137.327 > 85 86 Ba 0.53817177431638 0.25000000000000 0.71509622860142 137.327 > 85 87 Ba 0.03817177431638 0.58333333333333 0.71509622860142 137.327 > 85 88 Ba 0.53817177431638 0.58333333333333 0.71509622860142 137.327 > 85 89 Ba 0.03817177431638 0.91666666666667 0.71509622860142 137.327 > 85 90 Ba 0.53817177431638 0.91666666666667 0.71509622860142 137.327 > 85 91 Ba 0.46182822568362 0.08333333333333 0.28490377139858 137.327 > 91 92 Ba 0.96182822568362 0.08333333333333 0.28490377139858 137.327 > 91 93 Ba 0.46182822568362 0.41666666666667 0.28490377139858 137.327 > 91 94 Ba 0.96182822568362 0.41666666666667 0.28490377139858 137.327 > 91 95 Ba 0.46182822568362 0.75000000000000 0.28490377139858 137.327 > 91 96 Ba 0.96182822568362 0.75000000000000 0.28490377139858 137.327 > 91 97 Ba 0.37919299385329 0.08333333333333 0.53946330833517 137.327 > 97 98 Ba 0.87919299385329 0.08333333333333 0.53946330833517 137.327 > 97 99 Ba 0.37919299385329 0.41666666666667 0.53946330833517 137.327 > 97 100 Ba 0.87919299385329 0.41666666666667 0.53946330833517 137.327 > 97 101 Ba 0.37919299385329 0.75000000000000 0.53946330833517 137.327 > 97 102 Ba 0.87919299385329 0.75000000000000 0.53946330833517 137.327 > 97 103 Ba 0.12080700614671 0.25000000000000 0.46053669166483 137.327 > 103 104 Ba 0.62080700614671 0.25000000000000 0.46053669166483 137.327 > 103 105 Ba 0.12080700614671 0.58333333333333 0.46053669166483 137.327 > 103 106 Ba 0.62080700614671 0.58333333333333 0.46053669166483 137.327 > 103 107 Ba 0.12080700614671 0.91666666666667 0.46053669166483 137.327 > 103 108 Ba 0.62080700614671 0.91666666666667 0.46053669166483 137.327 > 103 109 Ba 0.37080700614671 0.25000000000000 0.03946330833517 137.327 > 109 110 Ba 0.87080700614671 0.25000000000000 0.03946330833517 137.327 > 109 111 Ba 0.37080700614671 0.58333333333333 0.03946330833517 137.327 > 109 112 Ba 0.87080700614671 0.58333333333333 0.03946330833517 137.327 > 109 113 Ba 0.37080700614671 0.91666666666667 0.03946330833517 137.327 > 109 114 Ba 0.87080700614671 0.91666666666667 0.03946330833517 137.327 > 109 115 Ba 0.28817177431638 0.25000000000000 0.78490377139858 137.327 > 115 116 Ba 0.78817177431638 0.25000000000000 0.78490377139858 137.327 > 115 117 Ba 0.28817177431638 0.58333333333333 0.78490377139858 137.327 > 115 118 Ba 0.78817177431638 0.58333333333333 0.78490377139858 137.327 > 115 119 Ba 0.28817177431638 0.91666666666667 0.78490377139858 137.327 > 115 120 Ba 0.78817177431638 0.91666666666667 0.78490377139858 137.327 > 115 121 Hg 0.31219921336891 0.25000000000000 0.36679359210203 200.590 > 121 122 Hg 0.81219921336891 0.25000000000000 0.36679359210203 200.590 > 121 123 Hg 0.31219921336891 0.58333333333333 0.36679359210203 200.590 > 121 124 Hg 0.81219921336891 0.58333333333333 0.36679359210203 200.590 > 121 125 Hg 0.31219921336891 0.91666666666667 0.36679359210203 200.590 > 121 126 Hg 0.81219921336891 0.91666666666667 0.36679359210203 200.590 > 121 127 Hg 0.18780078663109 0.08333333333333 0.63320640789797 200.590 > 127 128 Hg 0.68780078663109 0.08333333333333 0.63320640789797 200.590 > 127 129 Hg 0.18780078663109 0.41666666666667 0.63320640789797 200.590 > 127 130 Hg 0.68780078663109 0.41666666666667 0.63320640789797 200.590 > 127 131 Hg 0.18780078663109 0.75000000000000 0.63320640789797 200.590 > 127 132 Hg 0.68780078663109 0.75000000000000 0.63320640789797 200.590 > 127 133 Hg 0.06219921336891 0.25000000000000 0.13320640789797 200.590 > 133 134 Hg 0.56219921336891 0.25000000000000 0.13320640789797 200.590 > 133 135 Hg 0.06219921336891 0.58333333333333 0.13320640789797 200.590 > 133 136 Hg 0.56219921336891 0.58333333333333 0.13320640789797 200.590 > 133 137 Hg 0.06219921336891 0.91666666666667 0.13320640789797 200.590 > 133 138 Hg 0.56219921336891 0.91666666666667 0.13320640789797 200.590 > 133 139 Hg 0.43780078663109 0.08333333333333 0.86679359210203 200.590 > 139 140 Hg 0.93780078663109 0.08333333333333 0.86679359210203 200.590 > 139 141 Hg 0.43780078663109 0.41666666666667 0.86679359210203 200.590 > 139 142 Hg 0.93780078663109 0.41666666666667 0.86679359210203 200.590 > 139 143 Hg 0.43780078663109 0.75000000000000 0.86679359210203 200.590 > 139 144 Hg 0.93780078663109 0.75000000000000 0.86679359210203 200.590 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6055532 0.0000000 0.0000000 0.0000000 7.4912546 0.0000000 0.0000000 0.0000000 6.7204750 -------------------------- Born effective charges -------------------------- 1 S -2.3620970 0.0000000 0.0340567 0.0000000 -2.2775100 0.0000000 -0.1385210 0.0000000 -2.9338947 2 S -2.3620970 0.0000000 0.0340567 0.0000000 -2.2775100 0.0000000 -0.1385210 0.0000000 -2.9338947 3 S -2.3620970 0.0000000 -0.0340567 0.0000000 -2.2775100 0.0000000 0.1385210 0.0000000 -2.9338947 4 S -2.3620970 0.0000000 -0.0340567 0.0000000 -2.2775100 0.0000000 0.1385210 0.0000000 -2.9338947 5 S -2.2648158 0.0000000 -0.2481224 0.0000000 -3.6684345 0.0000000 -0.0848612 0.0000000 -2.0056787 6 S -2.2648158 0.0000000 -0.2481224 0.0000000 -3.6684345 0.0000000 -0.0848612 0.0000000 -2.0056787 7 S -2.2648158 0.0000000 0.2481224 0.0000000 -3.6684345 0.0000000 0.0848612 0.0000000 -2.0056787 8 S -2.2648158 0.0000000 0.2481224 0.0000000 -3.6684345 0.0000000 0.0848612 0.0000000 -2.0056787 9 S -2.8610984 0.0000000 0.0820939 0.0000000 -2.2454726 0.0000000 0.1504779 0.0000000 -2.4627119 10 S -2.8610984 0.0000000 -0.0820939 0.0000000 -2.2454726 0.0000000 -0.1504779 0.0000000 -2.4627119 11 S -2.8610984 0.0000000 -0.0820939 0.0000000 -2.2454726 0.0000000 -0.1504779 0.0000000 -2.4627119 12 S -2.8610984 0.0000000 0.0820939 0.0000000 -2.2454726 0.0000000 0.1504779 0.0000000 -2.4627119 13 Ba 3.0012325 0.0000000 0.0759038 0.0000000 2.4549022 0.0000000 0.1126992 0.0000000 3.1661029 14 Ba 2.5723355 0.0000000 0.4416367 0.0000000 2.9550243 0.0000000 0.6346230 0.0000000 2.2127559 15 Ba 2.5723355 0.0000000 -0.4416367 0.0000000 2.9550243 0.0000000 -0.6346230 0.0000000 2.2127559 16 Ba 2.5723355 0.0000000 -0.4416367 0.0000000 2.9550243 0.0000000 -0.6346230 0.0000000 2.2127559 17 Ba 3.0012325 0.0000000 -0.0759038 0.0000000 2.4549022 0.0000000 -0.1126992 0.0000000 3.1661029 18 Ba 3.0012325 0.0000000 -0.0759038 0.0000000 2.4549022 0.0000000 -0.1126992 0.0000000 3.1661029 19 Ba 3.0012325 0.0000000 0.0759038 0.0000000 2.4549022 0.0000000 0.1126992 0.0000000 3.1661029 20 Ba 2.5723355 0.0000000 0.4416367 0.0000000 2.9550243 0.0000000 0.6346230 0.0000000 2.2127559 21 Hg 1.9144432 0.0000000 0.0016866 0.0000000 2.7814906 0.0000000 0.0638643 0.0000000 2.0234265 22 Hg 1.9144432 0.0000000 0.0016866 0.0000000 2.7814906 0.0000000 0.0638643 0.0000000 2.0234265 23 Hg 1.9144432 0.0000000 -0.0016866 0.0000000 2.7814906 0.0000000 -0.0638643 0.0000000 2.0234265 24 Hg 1.9144432 0.0000000 -0.0016866 0.0000000 2.7814906 0.0000000 -0.0638643 0.0000000 2.0234265 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:03:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:03:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.879398869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.328386090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): 1 S 0.81157512344409 0.25000000000000 0.72171100277461 32.065 2 S 0.18842487655591 0.75000000000000 0.27828899722539 32.065 3 S 0.31157512344409 0.25000000000000 0.77828899722539 32.065 4 S 0.68842487655591 0.75000000000000 0.22171100277462 32.065 5 S 0.98484164441002 0.25000000000000 0.09569940993331 32.065 6 S 0.01515835558998 0.75000000000000 0.90430059006668 32.065 7 S 0.48484164441002 0.25000000000000 0.40430059006669 32.065 8 S 0.51515835558998 0.75000000000000 0.59569940993332 32.065 9 S 0.61478245918375 0.25000000000000 0.92807350830196 32.065 10 S 0.88521754081625 0.75000000000000 0.42807350830196 32.065 11 S 0.11478245918375 0.25000000000000 0.57192649169804 32.065 12 S 0.38521754081625 0.75000000000000 0.07192649169805 32.065 13 Ba 0.25838598770659 0.25000000000000 0.96053669166483 137.327 14 Ba 0.42365645136723 0.25000000000000 0.21509622860142 137.327 15 Ba 0.07634354863277 0.75000000000000 0.71509622860142 137.327 16 Ba 0.92365645136723 0.25000000000000 0.28490377139858 137.327 17 Ba 0.75838598770659 0.25000000000000 0.53946330833517 137.327 18 Ba 0.24161401229341 0.75000000000000 0.46053669166483 137.327 19 Ba 0.74161401229341 0.75000000000000 0.03946330833517 137.327 20 Ba 0.57634354863277 0.75000000000000 0.78490377139858 137.327 21 Hg 0.62439842673782 0.75000000000000 0.36679359210203 200.590 22 Hg 0.37560157326218 0.25000000000000 0.63320640789797 200.590 23 Hg 0.12439842673782 0.75000000000000 0.13320640789797 200.590 24 Hg 0.87560157326218 0.25000000000000 0.86679359210203 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.758797739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.985158270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.170722019999999 Atomic positions (fractional): 1 S 0.40578756172205 0.08333333333333 0.72171100277461 32.065 > 1 2 S 0.90578756172205 0.08333333333333 0.72171100277461 32.065 > 1 3 S 0.40578756172205 0.41666666666667 0.72171100277461 32.065 > 1 4 S 0.90578756172205 0.41666666666667 0.72171100277461 32.065 > 1 5 S 0.40578756172205 0.75000000000000 0.72171100277461 32.065 > 1 6 S 0.90578756172205 0.75000000000000 0.72171100277461 32.065 > 1 7 S 0.09421243827795 0.25000000000000 0.27828899722539 32.065 > 7 8 S 0.59421243827795 0.25000000000000 0.27828899722539 32.065 > 7 9 S 0.09421243827795 0.58333333333333 0.27828899722539 32.065 > 7 10 S 0.59421243827795 0.58333333333333 0.27828899722539 32.065 > 7 11 S 0.09421243827795 0.91666666666667 0.27828899722539 32.065 > 7 12 S 0.59421243827795 0.91666666666667 0.27828899722539 32.065 > 7 13 S 0.15578756172205 0.08333333333333 0.77828899722539 32.065 > 13 14 S 0.65578756172205 0.08333333333333 0.77828899722539 32.065 > 13 15 S 0.15578756172205 0.41666666666667 0.77828899722539 32.065 > 13 16 S 0.65578756172205 0.41666666666667 0.77828899722539 32.065 > 13 17 S 0.15578756172205 0.75000000000000 0.77828899722539 32.065 > 13 18 S 0.65578756172205 0.75000000000000 0.77828899722539 32.065 > 13 19 S 0.34421243827795 0.25000000000000 0.22171100277462 32.065 > 19 20 S 0.84421243827795 0.25000000000000 0.22171100277462 32.065 > 19 21 S 0.34421243827795 0.58333333333333 0.22171100277462 32.065 > 19 22 S 0.84421243827795 0.58333333333333 0.22171100277462 32.065 > 19 23 S 0.34421243827795 0.91666666666667 0.22171100277462 32.065 > 19 24 S 0.84421243827795 0.91666666666667 0.22171100277462 32.065 > 19 25 S 0.49242082220501 0.08333333333333 0.09569940993331 32.065 > 25 26 S 0.99242082220501 0.08333333333333 0.09569940993331 32.065 > 25 27 S 0.49242082220501 0.41666666666667 0.09569940993331 32.065 > 25 28 S 0.99242082220501 0.41666666666667 0.09569940993331 32.065 > 25 29 S 0.49242082220501 0.75000000000000 0.09569940993331 32.065 > 25 30 S 0.99242082220501 0.75000000000000 0.09569940993331 32.065 > 25 31 S 0.00757917779499 0.25000000000000 0.90430059006668 32.065 > 31 32 S 0.50757917779499 0.25000000000000 0.90430059006668 32.065 > 31 33 S 0.00757917779499 0.58333333333333 0.90430059006668 32.065 > 31 34 S 0.50757917779499 0.58333333333333 0.90430059006668 32.065 > 31 35 S 0.00757917779499 0.91666666666667 0.90430059006668 32.065 > 31 36 S 0.50757917779499 0.91666666666667 0.90430059006668 32.065 > 31 37 S 0.24242082220501 0.08333333333333 0.40430059006669 32.065 > 37 38 S 0.74242082220501 0.08333333333333 0.40430059006669 32.065 > 37 39 S 0.24242082220501 0.41666666666667 0.40430059006669 32.065 > 37 40 S 0.74242082220501 0.41666666666667 0.40430059006669 32.065 > 37 41 S 0.24242082220501 0.75000000000000 0.40430059006669 32.065 > 37 42 S 0.74242082220501 0.75000000000000 0.40430059006669 32.065 > 37 43 S 0.25757917779499 0.25000000000000 0.59569940993332 32.065 > 43 44 S 0.75757917779499 0.25000000000000 0.59569940993332 32.065 > 43 45 S 0.25757917779499 0.58333333333333 0.59569940993332 32.065 > 43 46 S 0.75757917779499 0.58333333333333 0.59569940993332 32.065 > 43 47 S 0.25757917779499 0.91666666666667 0.59569940993332 32.065 > 43 48 S 0.75757917779499 0.91666666666667 0.59569940993332 32.065 > 43 49 S 0.30739122959188 0.08333333333333 0.92807350830196 32.065 > 49 50 S 0.80739122959188 0.08333333333333 0.92807350830196 32.065 > 49 51 S 0.30739122959188 0.41666666666667 0.92807350830196 32.065 > 49 52 S 0.80739122959188 0.41666666666667 0.92807350830196 32.065 > 49 53 S 0.30739122959188 0.75000000000000 0.92807350830196 32.065 > 49 54 S 0.80739122959188 0.75000000000000 0.92807350830196 32.065 > 49 55 S 0.44260877040812 0.25000000000000 0.42807350830196 32.065 > 55 56 S 0.94260877040812 0.25000000000000 0.42807350830196 32.065 > 55 57 S 0.44260877040812 0.58333333333333 0.42807350830196 32.065 > 55 58 S 0.94260877040812 0.58333333333333 0.42807350830196 32.065 > 55 59 S 0.44260877040812 0.91666666666667 0.42807350830196 32.065 > 55 60 S 0.94260877040812 0.91666666666667 0.42807350830196 32.065 > 55 61 S 0.05739122959188 0.08333333333333 0.57192649169804 32.065 > 61 62 S 0.55739122959188 0.08333333333333 0.57192649169804 32.065 > 61 63 S 0.05739122959188 0.41666666666667 0.57192649169804 32.065 > 61 64 S 0.55739122959188 0.41666666666667 0.57192649169804 32.065 > 61 65 S 0.05739122959188 0.75000000000000 0.57192649169804 32.065 > 61 66 S 0.55739122959188 0.75000000000000 0.57192649169804 32.065 > 61 67 S 0.19260877040812 0.25000000000000 0.07192649169805 32.065 > 67 68 S 0.69260877040812 0.25000000000000 0.07192649169805 32.065 > 67 69 S 0.19260877040812 0.58333333333333 0.07192649169805 32.065 > 67 70 S 0.69260877040812 0.58333333333333 0.07192649169805 32.065 > 67 71 S 0.19260877040812 0.91666666666667 0.07192649169805 32.065 > 67 72 S 0.69260877040812 0.91666666666667 0.07192649169805 32.065 > 67 73 Ba 0.12919299385329 0.08333333333333 0.96053669166483 137.327 > 73 74 Ba 0.62919299385329 0.08333333333333 0.96053669166483 137.327 > 73 75 Ba 0.12919299385329 0.41666666666667 0.96053669166483 137.327 > 73 76 Ba 0.62919299385329 0.41666666666667 0.96053669166483 137.327 > 73 77 Ba 0.12919299385329 0.75000000000000 0.96053669166483 137.327 > 73 78 Ba 0.62919299385329 0.75000000000000 0.96053669166483 137.327 > 73 79 Ba 0.21182822568362 0.08333333333333 0.21509622860142 137.327 > 79 80 Ba 0.71182822568362 0.08333333333333 0.21509622860142 137.327 > 79 81 Ba 0.21182822568362 0.41666666666667 0.21509622860142 137.327 > 79 82 Ba 0.71182822568362 0.41666666666667 0.21509622860142 137.327 > 79 83 Ba 0.21182822568362 0.75000000000000 0.21509622860142 137.327 > 79 84 Ba 0.71182822568362 0.75000000000000 0.21509622860142 137.327 > 79 85 Ba 0.03817177431638 0.25000000000000 0.71509622860142 137.327 > 85 86 Ba 0.53817177431638 0.25000000000000 0.71509622860142 137.327 > 85 87 Ba 0.03817177431638 0.58333333333333 0.71509622860142 137.327 > 85 88 Ba 0.53817177431638 0.58333333333333 0.71509622860142 137.327 > 85 89 Ba 0.03817177431638 0.91666666666667 0.71509622860142 137.327 > 85 90 Ba 0.53817177431638 0.91666666666667 0.71509622860142 137.327 > 85 91 Ba 0.46182822568362 0.08333333333333 0.28490377139858 137.327 > 91 92 Ba 0.96182822568362 0.08333333333333 0.28490377139858 137.327 > 91 93 Ba 0.46182822568362 0.41666666666667 0.28490377139858 137.327 > 91 94 Ba 0.96182822568362 0.41666666666667 0.28490377139858 137.327 > 91 95 Ba 0.46182822568362 0.75000000000000 0.28490377139858 137.327 > 91 96 Ba 0.96182822568362 0.75000000000000 0.28490377139858 137.327 > 91 97 Ba 0.37919299385329 0.08333333333333 0.53946330833517 137.327 > 97 98 Ba 0.87919299385329 0.08333333333333 0.53946330833517 137.327 > 97 99 Ba 0.37919299385329 0.41666666666667 0.53946330833517 137.327 > 97 100 Ba 0.87919299385329 0.41666666666667 0.53946330833517 137.327 > 97 101 Ba 0.37919299385329 0.75000000000000 0.53946330833517 137.327 > 97 102 Ba 0.87919299385329 0.75000000000000 0.53946330833517 137.327 > 97 103 Ba 0.12080700614671 0.25000000000000 0.46053669166483 137.327 > 103 104 Ba 0.62080700614671 0.25000000000000 0.46053669166483 137.327 > 103 105 Ba 0.12080700614671 0.58333333333333 0.46053669166483 137.327 > 103 106 Ba 0.62080700614671 0.58333333333333 0.46053669166483 137.327 > 103 107 Ba 0.12080700614671 0.91666666666667 0.46053669166483 137.327 > 103 108 Ba 0.62080700614671 0.91666666666667 0.46053669166483 137.327 > 103 109 Ba 0.37080700614671 0.25000000000000 0.03946330833517 137.327 > 109 110 Ba 0.87080700614671 0.25000000000000 0.03946330833517 137.327 > 109 111 Ba 0.37080700614671 0.58333333333333 0.03946330833517 137.327 > 109 112 Ba 0.87080700614671 0.58333333333333 0.03946330833517 137.327 > 109 113 Ba 0.37080700614671 0.91666666666667 0.03946330833517 137.327 > 109 114 Ba 0.87080700614671 0.91666666666667 0.03946330833517 137.327 > 109 115 Ba 0.28817177431638 0.25000000000000 0.78490377139858 137.327 > 115 116 Ba 0.78817177431638 0.25000000000000 0.78490377139858 137.327 > 115 117 Ba 0.28817177431638 0.58333333333333 0.78490377139858 137.327 > 115 118 Ba 0.78817177431638 0.58333333333333 0.78490377139858 137.327 > 115 119 Ba 0.28817177431638 0.91666666666667 0.78490377139858 137.327 > 115 120 Ba 0.78817177431638 0.91666666666667 0.78490377139858 137.327 > 115 121 Hg 0.31219921336891 0.25000000000000 0.36679359210203 200.590 > 121 122 Hg 0.81219921336891 0.25000000000000 0.36679359210203 200.590 > 121 123 Hg 0.31219921336891 0.58333333333333 0.36679359210203 200.590 > 121 124 Hg 0.81219921336891 0.58333333333333 0.36679359210203 200.590 > 121 125 Hg 0.31219921336891 0.91666666666667 0.36679359210203 200.590 > 121 126 Hg 0.81219921336891 0.91666666666667 0.36679359210203 200.590 > 121 127 Hg 0.18780078663109 0.08333333333333 0.63320640789797 200.590 > 127 128 Hg 0.68780078663109 0.08333333333333 0.63320640789797 200.590 > 127 129 Hg 0.18780078663109 0.41666666666667 0.63320640789797 200.590 > 127 130 Hg 0.68780078663109 0.41666666666667 0.63320640789797 200.590 > 127 131 Hg 0.18780078663109 0.75000000000000 0.63320640789797 200.590 > 127 132 Hg 0.68780078663109 0.75000000000000 0.63320640789797 200.590 > 127 133 Hg 0.06219921336891 0.25000000000000 0.13320640789797 200.590 > 133 134 Hg 0.56219921336891 0.25000000000000 0.13320640789797 200.590 > 133 135 Hg 0.06219921336891 0.58333333333333 0.13320640789797 200.590 > 133 136 Hg 0.56219921336891 0.58333333333333 0.13320640789797 200.590 > 133 137 Hg 0.06219921336891 0.91666666666667 0.13320640789797 200.590 > 133 138 Hg 0.56219921336891 0.91666666666667 0.13320640789797 200.590 > 133 139 Hg 0.43780078663109 0.08333333333333 0.86679359210203 200.590 > 139 140 Hg 0.93780078663109 0.08333333333333 0.86679359210203 200.590 > 139 141 Hg 0.43780078663109 0.41666666666667 0.86679359210203 200.590 > 139 142 Hg 0.93780078663109 0.41666666666667 0.86679359210203 200.590 > 139 143 Hg 0.43780078663109 0.75000000000000 0.86679359210203 200.590 > 139 144 Hg 0.93780078663109 0.75000000000000 0.86679359210203 200.590 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.6055532 0.0000000 0.0000000 0.0000000 7.4912546 0.0000000 0.0000000 0.0000000 6.7204750 -------------------------- Born effective charges -------------------------- 1 S -2.3620970 0.0000000 0.0340567 0.0000000 -2.2775100 0.0000000 -0.1385210 0.0000000 -2.9338947 2 S -2.3620970 0.0000000 0.0340567 0.0000000 -2.2775100 0.0000000 -0.1385210 0.0000000 -2.9338947 3 S -2.3620970 0.0000000 -0.0340567 0.0000000 -2.2775100 0.0000000 0.1385210 0.0000000 -2.9338947 4 S -2.3620970 0.0000000 -0.0340567 0.0000000 -2.2775100 0.0000000 0.1385210 0.0000000 -2.9338947 5 S -2.2648158 0.0000000 -0.2481224 0.0000000 -3.6684345 0.0000000 -0.0848612 0.0000000 -2.0056787 6 S -2.2648158 0.0000000 -0.2481224 0.0000000 -3.6684345 0.0000000 -0.0848612 0.0000000 -2.0056787 7 S -2.2648158 0.0000000 0.2481224 0.0000000 -3.6684345 0.0000000 0.0848612 0.0000000 -2.0056787 8 S -2.2648158 0.0000000 0.2481224 0.0000000 -3.6684345 0.0000000 0.0848612 0.0000000 -2.0056787 9 S -2.8610984 0.0000000 0.0820939 0.0000000 -2.2454726 0.0000000 0.1504779 0.0000000 -2.4627119 10 S -2.8610984 0.0000000 -0.0820939 0.0000000 -2.2454726 0.0000000 -0.1504779 0.0000000 -2.4627119 11 S -2.8610984 0.0000000 -0.0820939 0.0000000 -2.2454726 0.0000000 -0.1504779 0.0000000 -2.4627119 12 S -2.8610984 0.0000000 0.0820939 0.0000000 -2.2454726 0.0000000 0.1504779 0.0000000 -2.4627119 13 Ba 3.0012325 0.0000000 0.0759038 0.0000000 2.4549022 0.0000000 0.1126992 0.0000000 3.1661029 14 Ba 2.5723355 0.0000000 0.4416367 0.0000000 2.9550243 0.0000000 0.6346230 0.0000000 2.2127559 15 Ba 2.5723355 0.0000000 -0.4416367 0.0000000 2.9550243 0.0000000 -0.6346230 0.0000000 2.2127559 16 Ba 2.5723355 0.0000000 -0.4416367 0.0000000 2.9550243 0.0000000 -0.6346230 0.0000000 2.2127559 17 Ba 3.0012325 0.0000000 -0.0759038 0.0000000 2.4549022 0.0000000 -0.1126992 0.0000000 3.1661029 18 Ba 3.0012325 0.0000000 -0.0759038 0.0000000 2.4549022 0.0000000 -0.1126992 0.0000000 3.1661029 19 Ba 3.0012325 0.0000000 0.0759038 0.0000000 2.4549022 0.0000000 0.1126992 0.0000000 3.1661029 20 Ba 2.5723355 0.0000000 0.4416367 0.0000000 2.9550243 0.0000000 0.6346230 0.0000000 2.2127559 21 Hg 1.9144432 0.0000000 0.0016866 0.0000000 2.7814906 0.0000000 0.0638643 0.0000000 2.0234265 22 Hg 1.9144432 0.0000000 0.0016866 0.0000000 2.7814906 0.0000000 0.0638643 0.0000000 2.0234265 23 Hg 1.9144432 0.0000000 -0.0016866 0.0000000 2.7814906 0.0000000 -0.0638643 0.0000000 2.0234265 24 Hg 1.9144432 0.0000000 -0.0016866 0.0000000 2.7814906 0.0000000 -0.0638643 0.0000000 2.0234265 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 6 12 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 1.013 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.691 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 8.181 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 20.211 0.000 0.000) 20.211 0.419 ( 21.195 0.000 0.000) 21.195 0.652 ( 33.558 0.000 0.000) 33.558 1.012 ( 2.490 0.000 0.000) 2.490 1.098 ( 8.219 0.000 0.000) 8.219 1.103 ( -2.139 0.000 0.000) 2.139 1.132 ( 5.052 0.000 0.000) 5.052 1.356 ( -0.241 0.000 0.000) 0.241 1.446 ( -4.878 0.000 0.000) 4.878 1.509 ( 1.643 0.000 0.000) 1.643 1.602 ( -4.553 0.000 0.000) 4.553 1.609 ( 0.584 0.000 0.000) 0.584 1.668 ( 8.104 0.000 0.000) 8.104 1.713 ( 2.453 0.000 0.000) 2.453 1.725 ( -2.246 0.000 0.000) 2.246 1.749 ( -0.843 0.000 0.000) 0.843 1.825 ( -0.356 0.000 0.000) 0.356 1.865 ( 1.704 0.000 0.000) 1.704 1.889 ( 1.716 0.000 0.000) 1.716 1.965 ( 1.368 0.000 0.000) 1.368 2.029 ( -4.272 0.000 0.000) 4.272 2.077 ( 6.411 0.000 0.000) 6.411 2.105 ( -0.293 0.000 0.000) 0.293 2.162 ( -0.691 0.000 0.000) 0.691 2.297 ( -4.306 0.000 0.000) 4.306 2.306 ( 7.139 0.000 0.000) 7.139 2.326 ( -2.709 0.000 0.000) 2.709 2.429 ( 4.169 0.000 0.000) 4.169 2.468 ( -3.651 0.000 0.000) 3.651 2.670 ( 1.922 0.000 0.000) 1.922 2.846 ( -7.829 0.000 0.000) 7.829 2.857 ( 2.288 0.000 0.000) 2.288 3.045 ( -2.162 0.000 0.000) 2.162 3.211 ( -4.692 0.000 0.000) 4.692 3.249 ( -0.057 0.000 0.000) 0.057 3.392 ( -6.187 0.000 0.000) 6.187 3.650 ( 3.172 0.000 0.000) 3.172 3.984 ( -8.073 0.000 0.000) 8.073 4.074 ( -4.239 0.000 0.000) 4.239 4.087 ( -3.224 0.000 0.000) 3.224 4.313 ( 1.820 0.000 0.000) 1.820 4.329 ( 1.847 0.000 0.000) 1.847 4.536 ( -1.887 0.000 0.000) 1.887 4.556 ( -1.740 0.000 0.000) 1.740 4.785 ( 0.918 0.000 0.000) 0.918 4.788 ( 0.732 0.000 0.000) 0.732 4.902 ( -0.730 0.000 0.000) 0.730 4.910 ( -0.848 0.000 0.000) 0.848 4.997 ( -0.486 0.000 0.000) 0.486 5.038 ( 1.249 0.000 0.000) 1.249 5.264 ( -11.998 0.000 0.000) 11.998 5.479 ( -10.800 0.000 0.000) 10.800 5.949 ( 11.747 0.000 0.000) 11.747 6.192 ( 7.041 0.000 0.000) 7.041 6.236 ( 1.351 0.000 0.000) 1.351 6.374 ( -1.422 0.000 0.000) 1.422 6.478 ( 2.711 0.000 0.000) 2.711 6.503 ( 1.109 0.000 0.000) 1.109 6.599 ( 0.021 0.000 0.000) 0.021 6.651 ( -0.826 0.000 0.000) 0.826 6.872 ( 0.115 0.000 0.000) 0.115 6.892 ( -0.211 0.000 0.000) 0.211 7.081 ( 0.069 0.000 0.000) 0.069 7.097 ( -0.185 0.000 0.000) 0.185 7.362 ( 6.448 0.000 0.000) 6.448 7.601 ( 1.679 0.000 0.000) 1.679 7.678 ( -1.142 0.000 0.000) 1.142 8.056 ( -7.556 0.000 0.000) 7.556 8.290 ( 4.821 0.000 0.000) 4.821 8.460 ( 0.233 0.000 0.000) 0.233 8.577 ( -0.169 0.000 0.000) 0.169 8.598 ( 0.774 0.000 0.000) 0.774 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 18.198 0.000 0.000) 18.198 0.774 ( 16.000 0.000 0.000) 16.000 1.051 ( 0.676 0.000 0.000) 0.676 1.118 ( 3.948 0.000 0.000) 3.948 1.226 ( 23.553 0.000 0.000) 23.553 1.234 ( 5.124 0.000 0.000) 5.124 1.263 ( 6.119 0.000 0.000) 6.119 1.314 ( -5.255 0.000 0.000) 5.255 1.345 ( -1.054 0.000 0.000) 1.054 1.463 ( -6.567 0.000 0.000) 6.567 1.535 ( 0.387 0.000 0.000) 0.387 1.614 ( -0.020 0.000 0.000) 0.020 1.668 ( -3.338 0.000 0.000) 3.338 1.760 ( -0.420 0.000 0.000) 0.420 1.775 ( 3.321 0.000 0.000) 3.321 1.815 ( 4.999 0.000 0.000) 4.999 1.819 ( -0.293 0.000 0.000) 0.293 1.924 ( 4.802 0.000 0.000) 4.802 1.931 ( 3.490 0.000 0.000) 3.490 1.944 ( -3.767 0.000 0.000) 3.767 2.026 ( 5.070 0.000 0.000) 5.070 2.077 ( -1.856 0.000 0.000) 1.856 2.114 ( -2.089 0.000 0.000) 2.089 2.178 ( 0.105 0.000 0.000) 0.105 2.187 ( -7.183 0.000 0.000) 7.183 2.249 ( -5.291 0.000 0.000) 5.291 2.453 ( 6.929 0.000 0.000) 6.929 2.488 ( 0.885 0.000 0.000) 0.885 2.518 ( 8.555 0.000 0.000) 8.555 2.674 ( 0.010 0.000 0.000) 0.010 2.688 ( -6.179 0.000 0.000) 6.179 2.892 ( 1.003 0.000 0.000) 1.003 2.970 ( -5.516 0.000 0.000) 5.516 3.067 ( -10.762 0.000 0.000) 10.762 3.260 ( 1.027 0.000 0.000) 1.027 3.296 ( -2.894 0.000 0.000) 2.894 3.716 ( 3.631 0.000 0.000) 3.631 3.841 ( -5.788 0.000 0.000) 5.788 3.972 ( -5.459 0.000 0.000) 5.459 3.999 ( -5.703 0.000 0.000) 5.703 4.361 ( 3.112 0.000 0.000) 3.112 4.377 ( 3.201 0.000 0.000) 3.201 4.488 ( -3.086 0.000 0.000) 3.086 4.509 ( -3.140 0.000 0.000) 3.140 4.806 ( 1.217 0.000 0.000) 1.217 4.806 ( 1.094 0.000 0.000) 1.094 4.884 ( -1.049 0.000 0.000) 1.049 4.889 ( -1.238 0.000 0.000) 1.238 4.962 ( -2.797 0.000 0.000) 2.797 5.000 ( -6.462 0.000 0.000) 6.462 5.131 ( 0.898 0.000 0.000) 0.898 5.309 ( -7.369 0.000 0.000) 7.369 6.136 ( 7.802 0.000 0.000) 7.802 6.286 ( 1.169 0.000 0.000) 1.169 6.289 ( 4.124 0.000 0.000) 4.124 6.360 ( 0.572 0.000 0.000) 0.572 6.526 ( 2.105 0.000 0.000) 2.105 6.526 ( 1.195 0.000 0.000) 1.195 6.597 ( -0.193 0.000 0.000) 0.193 6.633 ( -1.162 0.000 0.000) 1.162 6.875 ( 0.233 0.000 0.000) 0.233 6.886 ( -0.325 0.000 0.000) 0.325 7.083 ( 0.159 0.000 0.000) 0.159 7.092 ( -0.279 0.000 0.000) 0.279 7.494 ( 6.682 0.000 0.000) 6.682 7.647 ( -2.213 0.000 0.000) 2.213 7.655 ( 4.328 0.000 0.000) 4.328 7.910 ( -7.851 0.000 0.000) 7.851 8.372 ( 3.909 0.000 0.000) 3.909 8.461 ( -0.457 0.000 0.000) 0.457 8.574 ( 0.124 0.000 0.000) 0.124 8.603 ( -0.441 0.000 0.000) 0.441 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -7.291 0.000 0.000) 7.291 0.997 ( 7.291 0.000 0.000) 7.291 1.062 ( -14.761 0.000 0.000) 14.761 1.062 ( 14.761 0.000 0.000) 14.761 1.233 ( -7.273 0.000 0.000) 7.273 1.233 ( 7.273 0.000 0.000) 7.273 1.310 ( -2.871 0.000 0.000) 2.871 1.310 ( 2.871 0.000 0.000) 2.871 1.490 ( -5.233 0.000 0.000) 5.233 1.490 ( 5.233 0.000 0.000) 5.233 1.621 ( -1.286 0.000 0.000) 1.286 1.621 ( 1.286 0.000 0.000) 1.286 1.632 ( -13.487 0.000 0.000) 13.487 1.632 ( 13.487 0.000 0.000) 13.487 1.811 ( -0.738 0.000 0.000) 0.738 1.811 ( 0.738 0.000 0.000) 0.738 1.889 ( -2.897 0.000 0.000) 2.897 1.889 ( 2.897 0.000 0.000) 2.897 2.041 ( -7.692 0.000 0.000) 7.692 2.041 ( 7.692 0.000 0.000) 7.692 2.042 ( -4.406 0.000 0.000) 4.406 2.042 ( 4.406 0.000 0.000) 4.406 2.094 ( -4.195 0.000 0.000) 4.195 2.094 ( 4.195 0.000 0.000) 4.195 2.137 ( -6.346 0.000 0.000) 6.346 2.137 ( 6.346 0.000 0.000) 6.346 2.507 ( -1.889 0.000 0.000) 1.889 2.507 ( 1.889 0.000 0.000) 1.889 2.622 ( -3.664 0.000 0.000) 3.664 2.622 ( 3.664 0.000 0.000) 3.664 2.814 ( -12.638 0.000 0.000) 12.638 2.814 ( 12.638 0.000 0.000) 12.638 2.908 ( -2.259 0.000 0.000) 2.259 2.908 ( 2.259 0.000 0.000) 2.259 3.273 ( -0.409 0.000 0.000) 0.409 3.273 ( 0.409 0.000 0.000) 0.409 3.777 ( -2.510 0.000 0.000) 2.510 3.777 ( 2.510 0.000 0.000) 2.510 3.917 ( -1.093 0.000 0.000) 1.093 3.917 ( 1.093 0.000 0.000) 1.093 4.424 ( -3.540 0.000 0.000) 3.540 4.424 ( 3.540 0.000 0.000) 3.540 4.443 ( -3.682 0.000 0.000) 3.682 4.443 ( 3.682 0.000 0.000) 3.682 4.820 ( -0.048 0.000 0.000) 0.048 4.820 ( 0.048 0.000 0.000) 0.048 4.872 ( -0.177 0.000 0.000) 0.177 4.872 ( 0.177 0.000 0.000) 0.177 4.929 ( -0.389 0.000 0.000) 0.389 4.929 ( 0.389 0.000 0.000) 0.389 5.195 ( -4.892 0.000 0.000) 4.892 5.195 ( 4.892 0.000 0.000) 4.892 6.246 ( -4.238 0.000 0.000) 4.238 6.246 ( 4.238 0.000 0.000) 4.238 6.358 ( -2.144 0.000 0.000) 2.144 6.358 ( 2.144 0.000 0.000) 2.144 6.543 ( -0.361 0.000 0.000) 0.361 6.543 ( 0.361 0.000 0.000) 0.361 6.607 ( -1.380 0.000 0.000) 1.380 6.607 ( 1.380 0.000 0.000) 1.380 6.880 ( -0.320 0.000 0.000) 0.320 6.880 ( 0.320 0.000 0.000) 0.320 7.087 ( -0.252 0.000 0.000) 0.252 7.087 ( 0.252 0.000 0.000) 0.252 7.592 ( -3.808 0.000 0.000) 3.808 7.592 ( 3.808 0.000 0.000) 3.808 7.766 ( -7.164 0.000 0.000) 7.164 7.766 ( 7.164 0.000 0.000) 7.164 8.433 ( -2.501 0.000 0.000) 2.501 8.433 ( 2.501 0.000 0.000) 2.501 8.586 ( -1.032 0.000 0.000) 1.032 8.586 ( 1.032 0.000 0.000) 1.032 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 19.077 0.000) 19.077 0.429 ( 0.000 21.767 0.000) 21.767 0.690 ( 0.000 33.907 0.000) 33.907 0.998 ( 0.000 2.018 0.000) 2.018 1.087 ( 0.000 7.237 0.000) 7.237 1.145 ( 0.000 0.455 0.000) 0.455 1.155 ( 0.000 7.092 0.000) 7.092 1.396 ( 0.000 3.325 0.000) 3.325 1.480 ( 0.000 -1.112 0.000) 1.112 1.484 ( 0.000 -0.361 0.000) 0.361 1.608 ( 0.000 3.738 0.000) 3.738 1.616 ( 0.000 0.647 0.000) 0.647 1.720 ( 0.000 2.009 0.000) 2.009 1.745 ( 0.000 12.523 0.000) 12.523 1.818 ( 0.000 6.934 0.000) 6.934 1.820 ( 0.000 0.049 0.000) 0.049 1.877 ( 0.000 4.323 0.000) 4.323 1.927 ( 0.000 9.105 0.000) 9.105 1.939 ( 0.000 6.092 0.000) 6.092 1.996 ( 0.000 4.463 0.000) 4.463 2.083 ( 0.000 -0.069 0.000) 0.069 2.087 ( 0.000 9.941 0.000) 9.941 2.092 ( 0.000 0.464 0.000) 0.464 2.198 ( 0.000 1.960 0.000) 1.960 2.258 ( 0.000 3.028 0.000) 3.028 2.312 ( 0.000 -1.244 0.000) 1.244 2.387 ( 0.000 3.585 0.000) 3.585 2.440 ( 0.000 4.721 0.000) 4.721 2.533 ( 0.000 0.923 0.000) 0.923 2.610 ( 0.000 0.012 0.000) 0.012 2.766 ( 0.000 -1.957 0.000) 1.957 2.917 ( 0.000 -0.697 0.000) 0.697 3.047 ( 0.000 -1.427 0.000) 1.427 3.213 ( 0.000 -3.964 0.000) 3.964 3.233 ( 0.000 -2.540 0.000) 2.540 3.406 ( 0.000 -5.803 0.000) 5.803 3.602 ( 0.000 -0.673 0.000) 0.673 3.758 ( 0.000 -8.812 0.000) 8.812 4.047 ( 0.000 -5.627 0.000) 5.627 4.052 ( 0.000 -3.910 0.000) 3.910 4.523 ( 0.000 15.787 0.000) 15.787 4.564 ( 0.000 9.232 0.000) 9.232 4.591 ( 0.000 3.263 0.000) 3.263 4.596 ( 0.000 2.272 0.000) 2.272 4.835 ( 0.000 4.532 0.000) 4.532 4.915 ( 0.000 1.609 0.000) 1.609 4.943 ( 0.000 3.360 0.000) 3.360 4.983 ( 0.000 4.649 0.000) 4.649 4.996 ( 0.000 0.165 0.000) 0.165 5.014 ( 0.000 -0.916 0.000) 0.916 5.430 ( 0.000 2.256 0.000) 2.256 5.724 ( 0.000 -2.154 0.000) 2.154 5.799 ( 0.000 -0.883 0.000) 0.883 6.088 ( 0.000 -1.482 0.000) 1.482 6.102 ( 0.000 4.134 0.000) 4.134 6.297 ( 0.000 6.517 0.000) 6.517 6.368 ( 0.000 -4.514 0.000) 4.514 6.397 ( 0.000 -4.166 0.000) 4.166 6.413 ( 0.000 -10.848 0.000) 10.848 6.480 ( 0.000 -10.366 0.000) 10.366 6.829 ( 0.000 -0.990 0.000) 0.990 7.086 ( 0.000 13.125 0.000) 13.125 7.180 ( 0.000 7.456 0.000) 7.456 7.260 ( 0.000 14.589 0.000) 14.589 7.275 ( 0.000 -1.804 0.000) 1.804 7.665 ( 0.000 -2.315 0.000) 2.315 8.150 ( 0.000 -3.151 0.000) 3.151 8.155 ( 0.000 1.201 0.000) 1.201 8.189 ( 0.000 -0.166 0.000) 0.166 8.398 ( 0.000 -2.292 0.000) 2.292 8.437 ( 0.000 -2.021 0.000) 2.021 8.563 ( 0.000 -2.202 0.000) 2.202 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 11.220 12.439 0.000) 16.751 0.520 ( 13.350 11.997 0.000) 17.948 0.975 ( 20.777 22.136 0.000) 30.359 1.009 ( 1.917 2.102 0.000) 2.845 1.095 ( 3.043 3.054 0.000) 4.312 1.178 ( 2.902 4.816 0.000) 5.623 1.242 ( 6.423 8.149 0.000) 10.376 1.392 ( -0.429 3.012 0.000) 3.043 1.439 ( -4.497 -0.094 0.000) 4.498 1.498 ( 1.573 -0.611 0.000) 1.687 1.594 ( -3.587 0.305 0.000) 3.599 1.621 ( -0.003 -1.470 0.000) 1.470 1.739 ( 3.044 6.786 0.000) 7.438 1.755 ( 1.060 6.492 0.000) 6.577 1.805 ( -2.512 7.743 0.000) 8.140 1.828 ( 1.343 7.267 0.000) 7.390 1.854 ( 2.730 2.049 0.000) 3.414 1.921 ( -0.641 8.705 0.000) 8.728 1.964 ( 2.436 1.591 0.000) 2.909 2.012 ( 0.031 7.911 0.000) 7.911 2.030 ( -4.417 0.201 0.000) 4.422 2.096 ( -0.967 -0.768 0.000) 1.235 2.143 ( 3.562 5.978 0.000) 6.959 2.178 ( -0.098 2.612 0.000) 2.614 2.330 ( 6.511 2.145 0.000) 6.855 2.344 ( -0.692 3.953 0.000) 4.013 2.350 ( -2.482 2.431 0.000) 3.474 2.439 ( 1.186 1.431 0.000) 1.859 2.477 ( -0.365 2.709 0.000) 2.734 2.661 ( 1.310 -0.449 0.000) 1.385 2.817 ( 3.863 -2.714 0.000) 4.722 2.848 ( -6.935 0.182 0.000) 6.937 3.029 ( -2.242 -1.516 0.000) 2.706 3.189 ( -4.557 -2.288 0.000) 5.099 3.213 ( 0.214 -3.641 0.000) 3.648 3.354 ( -4.539 -3.835 0.000) 5.942 3.638 ( 3.152 -0.933 0.000) 3.287 3.790 ( 1.192 -10.308 0.000) 10.377 4.006 ( -4.408 -3.394 0.000) 5.563 4.025 ( -2.388 -5.027 0.000) 5.565 4.485 ( -2.220 12.747 0.000) 12.939 4.542 ( -2.045 13.381 0.000) 13.537 4.575 ( -1.592 3.533 0.000) 3.875 4.584 ( -1.230 2.725 0.000) 2.990 4.838 ( 0.342 4.030 0.000) 4.044 4.870 ( -2.208 3.716 0.000) 4.322 4.943 ( -0.146 3.995 0.000) 3.998 4.966 ( -0.499 5.478 0.000) 5.501 5.005 ( -0.802 0.778 0.000) 1.117 5.030 ( 1.564 -0.916 0.000) 1.812 5.291 ( -11.776 3.015 0.000) 12.156 5.533 ( -12.636 3.281 0.000) 13.055 5.905 ( 9.759 -3.192 0.000) 10.267 6.167 ( 5.935 -2.542 0.000) 6.457 6.247 ( 3.131 -0.305 0.000) 3.145 6.347 ( -0.973 -2.649 0.000) 2.822 6.370 ( 8.790 -1.678 0.000) 8.949 6.417 ( 1.347 -11.741 0.000) 11.818 6.445 ( 2.864 -3.965 0.000) 4.892 6.476 ( -0.196 -10.281 0.000) 10.283 6.877 ( 3.963 -0.638 0.000) 4.014 7.071 ( -1.591 12.391 0.000) 12.493 7.180 ( 0.013 7.659 0.000) 7.659 7.218 ( -1.661 9.700 0.000) 9.841 7.370 ( 6.778 1.974 0.000) 7.060 7.655 ( -1.024 -2.277 0.000) 2.497 7.862 ( -14.695 11.546 0.000) 18.688 8.024 ( -8.158 -3.085 0.000) 8.722 8.282 ( 5.032 -0.636 0.000) 5.072 8.442 ( 0.427 -1.824 0.000) 1.873 8.522 ( 3.965 -3.793 0.000) 5.487 8.576 ( 1.022 -1.981 0.000) 2.229 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 17.682 1.470 0.000) 17.743 0.796 ( 14.916 5.068 0.000) 15.753 1.082 ( 5.070 4.368 0.000) 6.692 1.188 ( 4.451 -0.629 0.000) 4.495 1.223 ( 1.067 7.906 0.000) 7.977 1.273 ( 2.703 1.430 0.000) 3.058 1.338 ( -0.488 5.122 0.000) 5.145 1.375 ( -1.582 2.018 0.000) 2.564 1.385 ( 9.242 8.462 0.000) 12.530 1.492 ( -5.351 3.033 0.000) 6.150 1.518 ( -0.139 -0.342 0.000) 0.369 1.586 ( -2.926 -4.983 0.000) 5.778 1.756 ( 0.487 10.473 0.000) 10.485 1.793 ( 3.017 3.406 0.000) 4.550 1.840 ( -1.443 5.143 0.000) 5.342 1.871 ( 5.913 5.932 0.000) 8.376 1.909 ( -0.463 8.326 0.000) 8.339 1.938 ( 6.537 3.472 0.000) 7.402 1.945 ( -3.550 0.373 0.000) 3.570 2.011 ( 1.289 5.184 0.000) 5.341 2.041 ( 4.849 2.943 0.000) 5.673 2.064 ( -1.923 -0.502 0.000) 1.988 2.140 ( -2.339 2.216 0.000) 3.222 2.182 ( -1.816 1.640 0.000) 2.447 2.258 ( -5.068 4.635 0.000) 6.867 2.298 ( -4.610 5.436 0.000) 7.127 2.462 ( 6.608 1.210 0.000) 6.718 2.496 ( 3.209 0.718 0.000) 3.288 2.582 ( 9.127 6.497 0.000) 11.203 2.661 ( 0.309 -0.843 0.000) 0.897 2.697 ( -7.167 1.051 0.000) 7.244 2.869 ( 1.490 -1.922 0.000) 2.432 2.956 ( -5.318 -1.189 0.000) 5.449 3.059 ( -9.203 -0.634 0.000) 9.225 3.227 ( 1.172 -3.209 0.000) 3.416 3.280 ( -2.683 -1.683 0.000) 3.167 3.701 ( 3.268 -1.257 0.000) 3.501 3.780 ( -1.535 -5.139 0.000) 5.364 3.920 ( -3.844 -2.814 0.000) 4.763 3.959 ( -4.351 -3.318 0.000) 5.472 4.469 ( 0.424 9.430 0.000) 9.439 4.513 ( -0.612 11.230 0.000) 11.247 4.537 ( -2.353 4.526 0.000) 5.102 4.553 ( -1.935 4.181 0.000) 4.607 4.847 ( 0.636 3.139 0.000) 3.203 4.852 ( -0.075 3.322 0.000) 3.323 4.936 ( -0.658 4.210 0.000) 4.261 4.959 ( -0.232 6.429 0.000) 6.433 4.966 ( -2.896 0.649 0.000) 2.968 5.029 ( -4.474 3.266 0.000) 5.539 5.132 ( -0.520 0.839 0.000) 0.987 5.334 ( -8.657 2.439 0.000) 8.994 6.075 ( 7.641 -5.235 0.000) 9.262 6.230 ( 0.021 -5.189 0.000) 5.190 6.291 ( 2.712 0.149 0.000) 2.716 6.347 ( 0.658 -1.129 0.000) 1.307 6.444 ( 1.329 -11.635 0.000) 11.710 6.466 ( 0.339 -7.766 0.000) 7.773 6.502 ( 2.881 -2.039 0.000) 3.530 6.505 ( 3.722 -4.737 0.000) 6.024 6.944 ( 2.848 3.048 0.000) 4.172 7.032 ( -2.303 10.385 0.000) 10.637 7.181 ( 0.084 8.166 0.000) 8.166 7.195 ( -0.855 9.696 0.000) 9.733 7.506 ( 7.111 0.298 0.000) 7.118 7.632 ( -1.373 -1.465 0.000) 2.007 7.703 ( -3.223 4.242 0.000) 5.327 7.869 ( -8.207 -4.017 0.000) 9.138 8.366 ( 3.913 -0.471 0.000) 3.941 8.447 ( -0.141 -1.322 0.000) 1.330 8.557 ( 0.765 -1.594 0.000) 1.768 8.586 ( -0.209 -1.576 0.000) 1.590 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.501 3.176 0.000) 3.215 1.020 ( 0.501 3.176 0.000) 3.215 1.098 ( -2.750 1.735 0.000) 3.252 1.098 ( 2.750 1.735 0.000) 3.252 1.277 ( -6.301 4.411 0.000) 7.691 1.277 ( 6.301 4.411 0.000) 7.691 1.326 ( -3.783 0.984 0.000) 3.909 1.326 ( 3.783 0.984 0.000) 3.909 1.486 ( -3.026 1.484 0.000) 3.370 1.486 ( 3.026 1.484 0.000) 3.370 1.527 ( -3.932 -1.436 0.000) 4.186 1.527 ( 3.932 -1.436 0.000) 4.186 1.792 ( -2.727 7.522 0.000) 8.001 1.792 ( 2.727 7.522 0.000) 8.001 1.861 ( -3.888 3.046 0.000) 4.939 1.861 ( 3.888 3.046 0.000) 4.939 1.925 ( -0.483 5.222 0.000) 5.244 1.925 ( 0.483 5.222 0.000) 5.244 2.036 ( -1.408 1.535 0.000) 2.083 2.036 ( 1.408 1.535 0.000) 2.083 2.094 ( -5.719 2.375 0.000) 6.192 2.094 ( 5.719 2.375 0.000) 6.192 2.137 ( -7.943 5.338 0.000) 9.570 2.137 ( 7.943 5.338 0.000) 9.570 2.183 ( -6.877 4.736 0.000) 8.350 2.183 ( 6.877 4.736 0.000) 8.350 2.526 ( -0.180 1.480 0.000) 1.491 2.526 ( 0.180 1.480 0.000) 1.491 2.635 ( -0.965 1.665 0.000) 1.924 2.635 ( 0.965 1.665 0.000) 1.924 2.820 ( -10.726 0.771 0.000) 10.754 2.820 ( 10.726 0.771 0.000) 10.754 2.903 ( -4.134 0.033 0.000) 4.134 2.903 ( 4.134 0.033 0.000) 4.134 3.249 ( -1.080 -2.314 0.000) 2.554 3.249 ( 1.080 -2.314 0.000) 2.554 3.751 ( -1.860 -2.247 0.000) 2.917 3.751 ( 1.860 -2.247 0.000) 2.917 3.892 ( -1.538 -1.853 0.000) 2.408 3.892 ( 1.538 -1.853 0.000) 2.408 4.494 ( -2.031 6.473 0.000) 6.784 4.494 ( 2.031 6.473 0.000) 6.784 4.521 ( -1.253 7.077 0.000) 7.187 4.521 ( 1.253 7.077 0.000) 7.187 4.856 ( -0.034 3.194 0.000) 3.194 4.856 ( 0.034 3.194 0.000) 3.194 4.926 ( -0.516 1.431 0.000) 1.521 4.926 ( 0.516 1.431 0.000) 1.521 4.964 ( -1.185 6.725 0.000) 6.829 4.964 ( 1.185 6.725 0.000) 6.829 5.200 ( -5.720 0.758 0.000) 5.770 5.200 ( 5.720 0.758 0.000) 5.770 6.186 ( -4.235 -5.496 0.000) 6.938 6.186 ( 4.235 -5.496 0.000) 6.938 6.339 ( -1.810 -1.457 0.000) 2.323 6.339 ( 1.810 -1.457 0.000) 2.323 6.462 ( -0.594 -9.979 0.000) 9.997 6.462 ( 0.594 -9.979 0.000) 9.997 6.537 ( -0.350 -1.581 0.000) 1.619 6.537 ( 0.350 -1.581 0.000) 1.619 6.989 ( -2.251 7.294 0.000) 7.634 6.989 ( 2.251 7.294 0.000) 7.634 7.185 ( -0.338 8.892 0.000) 8.898 7.185 ( 0.338 8.892 0.000) 8.898 7.600 ( -2.480 0.768 0.000) 2.596 7.600 ( 2.480 0.768 0.000) 2.596 7.730 ( -5.775 -3.511 0.000) 6.758 7.730 ( 5.775 -3.511 0.000) 6.758 8.425 ( -2.262 -0.713 0.000) 2.371 8.425 ( 2.262 -0.713 0.000) 2.371 8.572 ( -0.953 -1.312 0.000) 1.622 8.572 ( 0.953 -1.312 0.000) 1.622 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 17.862 0.000) 17.862 0.827 ( 0.000 19.283 0.000) 19.283 1.081 ( 0.000 6.504 0.000) 6.504 1.180 ( 0.000 3.450 0.000) 3.450 1.201 ( 0.000 13.710 0.000) 13.710 1.300 ( 0.000 17.208 0.000) 17.208 1.312 ( 0.000 8.526 0.000) 8.526 1.460 ( 0.000 2.964 0.000) 2.964 1.471 ( 0.000 0.570 0.000) 0.570 1.486 ( 0.000 0.807 0.000) 0.807 1.635 ( 0.000 1.270 0.000) 1.270 1.663 ( 0.000 1.619 0.000) 1.619 1.823 ( 0.000 7.400 0.000) 7.400 1.875 ( 0.000 8.095 0.000) 8.095 1.932 ( 0.000 6.988 0.000) 6.988 1.957 ( 0.000 5.764 0.000) 5.764 1.981 ( 0.000 4.270 0.000) 4.270 2.056 ( 0.000 0.800 0.000) 0.800 2.081 ( 0.000 8.607 0.000) 8.607 2.097 ( 0.000 0.033 0.000) 0.033 2.116 ( 0.000 3.423 0.000) 3.423 2.189 ( 0.000 11.937 0.000) 11.937 2.281 ( 0.000 8.551 0.000) 8.551 2.305 ( 0.000 9.176 0.000) 9.176 2.353 ( 0.000 8.667 0.000) 8.667 2.354 ( 0.000 7.956 0.000) 7.956 2.468 ( 0.000 4.801 0.000) 4.801 2.544 ( 0.000 6.063 0.000) 6.063 2.598 ( 0.000 6.718 0.000) 6.718 2.647 ( 0.000 5.314 0.000) 5.314 2.725 ( 0.000 -1.393 0.000) 1.393 2.903 ( 0.000 -0.631 0.000) 0.631 3.013 ( 0.000 -1.984 0.000) 1.984 3.104 ( 0.000 -7.202 0.000) 7.202 3.147 ( 0.000 -6.438 0.000) 6.438 3.258 ( 0.000 -8.948 0.000) 8.948 3.606 ( 0.000 1.431 0.000) 1.431 3.640 ( 0.000 -3.280 0.000) 3.280 3.949 ( 0.000 -4.069 0.000) 4.069 3.975 ( 0.000 -3.801 0.000) 3.801 4.648 ( 0.000 2.874 0.000) 2.874 4.662 ( 0.000 3.753 0.000) 3.753 4.777 ( 0.000 12.065 0.000) 12.065 4.802 ( 0.000 12.004 0.000) 12.004 4.894 ( 0.000 0.978 0.000) 0.978 4.974 ( 0.000 -2.401 0.000) 2.401 4.984 ( 0.000 5.607 0.000) 5.607 5.001 ( 0.000 0.366 0.000) 0.366 5.039 ( 0.000 5.315 0.000) 5.315 5.090 ( 0.000 6.399 0.000) 6.399 5.485 ( 0.000 2.861 0.000) 2.861 5.655 ( 0.000 -4.240 0.000) 4.240 5.814 ( 0.000 2.154 0.000) 2.154 6.043 ( 0.000 -3.839 0.000) 3.839 6.136 ( 0.000 -13.348 0.000) 13.348 6.172 ( 0.000 -1.092 0.000) 1.092 6.315 ( 0.000 -2.122 0.000) 2.122 6.322 ( 0.000 -2.188 0.000) 2.188 6.361 ( 0.000 0.135 0.000) 0.135 6.443 ( 0.000 7.928 0.000) 7.928 6.813 ( 0.000 -0.651 0.000) 0.651 7.226 ( 0.000 -3.251 0.000) 3.251 7.302 ( 0.000 8.603 0.000) 8.603 7.331 ( 0.000 6.861 0.000) 6.861 7.556 ( 0.000 15.081 0.000) 15.081 7.609 ( 0.000 -3.252 0.000) 3.252 8.063 ( 0.000 -5.648 0.000) 5.648 8.182 ( 0.000 1.273 0.000) 1.273 8.204 ( 0.000 2.202 0.000) 2.202 8.347 ( 0.000 -2.649 0.000) 2.649 8.388 ( 0.000 -2.735 0.000) 2.735 8.521 ( 0.000 -1.679 0.000) 1.679 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 6.169 14.917 0.000) 16.142 0.794 ( -0.430 18.702 0.000) 18.707 1.112 ( 3.765 7.991 0.000) 8.834 1.195 ( -0.211 7.593 0.000) 7.596 1.253 ( 6.411 3.219 0.000) 7.173 1.335 ( 3.762 10.985 0.000) 11.611 1.423 ( 7.408 10.535 0.000) 12.878 1.447 ( -1.628 2.434 0.000) 2.928 1.460 ( -1.875 3.034 0.000) 3.566 1.498 ( 2.502 0.876 0.000) 2.651 1.614 ( -2.275 1.657 0.000) 2.814 1.618 ( -4.539 0.511 0.000) 4.567 1.837 ( 0.540 4.680 0.000) 4.711 1.917 ( 5.383 12.055 0.000) 13.203 1.934 ( -0.350 5.325 0.000) 5.336 1.954 ( -0.421 4.894 0.000) 4.912 2.005 ( 2.388 3.392 0.000) 4.148 2.034 ( -3.857 0.794 0.000) 3.938 2.054 ( -1.091 0.640 0.000) 1.265 2.060 ( 0.315 13.695 0.000) 13.699 2.130 ( 0.063 5.984 0.000) 5.985 2.192 ( -0.713 8.041 0.000) 8.072 2.255 ( -3.173 5.698 0.000) 6.522 2.277 ( -2.075 6.389 0.000) 6.718 2.408 ( 4.925 6.740 0.000) 8.348 2.410 ( 3.158 6.214 0.000) 6.970 2.453 ( 0.036 6.627 0.000) 6.627 2.500 ( -4.371 5.263 0.000) 6.841 2.598 ( 3.032 8.671 0.000) 9.186 2.681 ( 1.605 4.330 0.000) 4.618 2.780 ( 4.614 0.048 0.000) 4.614 2.847 ( -5.541 -0.621 0.000) 5.576 3.000 ( -1.604 -1.052 0.000) 1.918 3.113 ( 0.994 -6.586 0.000) 6.660 3.122 ( -2.647 -4.544 0.000) 5.259 3.253 ( -0.583 -6.336 0.000) 6.363 3.633 ( 2.477 0.763 0.000) 2.592 3.662 ( 2.039 -3.410 0.000) 3.973 3.937 ( -1.321 -3.652 0.000) 3.884 3.943 ( -3.101 -3.008 0.000) 4.320 4.645 ( -0.445 3.299 0.000) 3.329 4.654 ( -0.496 4.231 0.000) 4.260 4.730 ( -3.277 12.454 0.000) 12.878 4.801 ( -1.777 12.229 0.000) 12.358 4.891 ( -0.156 1.000 0.000) 1.012 4.932 ( -2.474 3.194 0.000) 4.041 5.000 ( 2.360 -2.291 0.000) 3.289 5.027 ( -0.161 2.575 0.000) 2.580 5.037 ( -0.087 5.489 0.000) 5.490 5.083 ( -0.177 6.020 0.000) 6.023 5.378 ( -9.157 5.372 0.000) 10.617 5.558 ( -8.654 -0.607 0.000) 8.676 5.871 ( 5.483 -0.180 0.000) 5.486 6.088 ( 2.756 -6.066 0.000) 6.663 6.157 ( 2.298 -13.189 0.000) 13.388 6.215 ( 2.404 -5.888 0.000) 6.360 6.322 ( 0.342 -0.253 0.000) 0.425 6.327 ( 1.219 -0.768 0.000) 1.441 6.397 ( 3.384 -0.822 0.000) 3.483 6.446 ( 1.272 6.344 0.000) 6.470 6.867 ( 5.069 -0.343 0.000) 5.080 7.262 ( 3.491 -2.560 0.000) 4.329 7.277 ( -2.635 8.323 0.000) 8.730 7.338 ( 0.662 7.436 0.000) 7.465 7.549 ( -0.631 13.026 0.000) 13.041 7.599 ( -0.745 -3.271 0.000) 3.355 7.946 ( -9.145 -4.875 0.000) 10.364 7.988 ( -13.118 3.139 0.000) 13.488 8.279 ( 5.051 0.850 0.000) 5.122 8.398 ( 1.033 -2.398 0.000) 2.611 8.461 ( 5.643 -2.417 0.000) 6.138 8.538 ( 1.316 -1.638 0.000) 2.101 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 9.694 9.998 0.000) 13.926 0.943 ( 9.692 9.676 0.000) 13.695 1.209 ( 4.839 7.996 0.000) 9.347 1.231 ( 3.293 4.749 0.000) 5.779 1.304 ( -5.645 2.523 0.000) 6.183 1.359 ( -0.370 5.724 0.000) 5.736 1.384 ( -1.628 -0.654 0.000) 1.755 1.462 ( 0.269 7.374 0.000) 7.379 1.523 ( -1.604 -1.116 0.000) 1.954 1.535 ( 1.694 5.397 0.000) 5.657 1.553 ( 0.786 3.257 0.000) 3.351 1.569 ( -0.156 5.072 0.000) 5.074 1.852 ( 1.705 4.269 0.000) 4.597 1.916 ( -0.766 4.481 0.000) 4.546 1.931 ( -1.955 4.270 0.000) 4.697 1.964 ( -2.822 1.726 0.000) 3.308 2.026 ( 3.861 8.772 0.000) 9.585 2.036 ( -1.034 1.066 0.000) 1.485 2.059 ( 3.073 3.159 0.000) 4.407 2.127 ( -0.072 8.765 0.000) 8.766 2.147 ( 3.905 7.868 0.000) 8.783 2.162 ( 2.643 12.009 0.000) 12.296 2.207 ( -0.157 7.251 0.000) 7.252 2.225 ( -3.753 2.608 0.000) 4.570 2.377 ( -4.935 6.617 0.000) 8.255 2.402 ( -4.209 4.737 0.000) 6.337 2.486 ( 2.732 -0.097 0.000) 2.734 2.543 ( 5.331 5.795 0.000) 7.875 2.678 ( 4.414 4.524 0.000) 6.321 2.721 ( -6.486 1.055 0.000) 6.571 2.754 ( 5.630 10.058 0.000) 11.527 2.847 ( 2.810 0.862 0.000) 2.939 2.945 ( -4.309 0.797 0.000) 4.382 3.049 ( -5.011 -0.411 0.000) 5.028 3.145 ( 2.376 -5.040 0.000) 5.572 3.234 ( -1.486 -2.856 0.000) 3.220 3.682 ( 2.359 -0.369 0.000) 2.388 3.699 ( 1.553 -2.683 0.000) 3.100 3.882 ( -2.665 -1.392 0.000) 3.007 3.901 ( -2.337 -2.389 0.000) 3.342 4.637 ( -0.096 5.222 0.000) 5.223 4.652 ( 0.294 5.712 0.000) 5.720 4.675 ( -2.368 11.273 0.000) 11.519 4.739 ( -3.957 11.170 0.000) 11.850 4.894 ( 0.628 1.421 0.000) 1.553 4.912 ( 0.195 2.832 0.000) 2.839 4.986 ( -3.229 2.123 0.000) 3.865 5.003 ( -2.437 1.998 0.000) 3.151 5.072 ( 3.392 1.620 0.000) 3.759 5.094 ( 0.932 6.699 0.000) 6.763 5.230 ( -4.580 8.538 0.000) 9.689 5.386 ( -8.867 2.416 0.000) 9.190 5.983 ( 5.713 -3.771 0.000) 6.845 6.107 ( -0.573 -7.562 0.000) 7.583 6.207 ( 2.346 -12.538 0.000) 12.756 6.238 ( 0.431 -8.389 0.000) 8.400 6.332 ( 0.519 0.222 0.000) 0.564 6.339 ( 0.053 -0.382 0.000) 0.385 6.472 ( 4.007 -0.497 0.000) 4.038 6.497 ( 3.001 2.213 0.000) 3.729 6.979 ( 6.439 1.100 0.000) 6.532 7.205 ( -4.890 6.872 0.000) 8.434 7.336 ( 3.548 1.897 0.000) 4.023 7.354 ( 0.948 8.576 0.000) 8.629 7.545 ( 0.867 5.777 0.000) 5.842 7.597 ( 0.854 -1.997 0.000) 2.172 7.769 ( -9.045 -5.854 0.000) 10.774 7.775 ( -8.963 2.665 0.000) 9.351 8.363 ( 3.751 0.500 0.000) 3.784 8.419 ( 0.821 -1.309 0.000) 1.546 8.524 ( 1.659 -1.515 0.000) 2.247 8.553 ( 0.113 -1.472 0.000) 1.476 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -12.548 2.574 0.000) 12.810 1.110 ( 12.548 2.574 0.000) 12.810 1.131 ( -9.635 6.178 0.000) 11.445 1.131 ( 9.635 6.178 0.000) 11.445 1.343 ( -5.027 1.410 0.000) 5.221 1.343 ( 5.027 1.410 0.000) 5.221 1.392 ( -5.871 6.918 0.000) 9.073 1.392 ( 5.871 6.918 0.000) 9.073 1.543 ( -0.630 2.726 0.000) 2.798 1.543 ( 0.630 2.726 0.000) 2.798 1.565 ( -1.250 4.924 0.000) 5.081 1.565 ( 1.250 4.924 0.000) 5.081 1.900 ( -2.384 3.496 0.000) 4.231 1.900 ( 2.384 3.496 0.000) 4.231 1.919 ( -1.299 4.181 0.000) 4.379 1.919 ( 1.299 4.181 0.000) 4.379 2.029 ( -0.847 2.474 0.000) 2.615 2.029 ( 0.847 2.474 0.000) 2.615 2.131 ( -0.295 9.382 0.000) 9.386 2.131 ( 0.295 9.382 0.000) 9.386 2.141 ( -3.954 2.759 0.000) 4.821 2.141 ( 3.954 2.759 0.000) 4.821 2.262 ( -5.839 4.200 0.000) 7.192 2.262 ( 5.839 4.200 0.000) 7.192 2.320 ( -6.478 11.060 0.000) 12.817 2.320 ( 6.478 11.060 0.000) 12.817 2.537 ( -3.760 -0.847 0.000) 3.854 2.537 ( 3.760 -0.847 0.000) 3.854 2.707 ( -2.590 6.347 0.000) 6.855 2.707 ( 2.590 6.347 0.000) 6.855 2.846 ( -5.602 2.273 0.000) 6.045 2.846 ( 5.602 2.273 0.000) 6.045 2.940 ( -6.366 3.806 0.000) 7.417 2.940 ( 6.366 3.806 0.000) 7.417 3.195 ( -2.644 -2.894 0.000) 3.920 3.195 ( 2.644 -2.894 0.000) 3.920 3.711 ( -0.502 -1.571 0.000) 1.650 3.711 ( 0.502 -1.571 0.000) 1.650 3.864 ( -0.923 -0.965 0.000) 1.335 3.864 ( 0.923 -0.965 0.000) 1.335 4.644 ( -0.944 8.509 0.000) 8.561 4.644 ( 0.944 8.509 0.000) 8.561 4.676 ( -2.445 8.218 0.000) 8.574 4.676 ( 2.445 8.218 0.000) 8.574 4.917 ( -1.345 2.716 0.000) 3.031 4.917 ( 1.345 2.716 0.000) 3.031 4.951 ( -1.572 1.766 0.000) 2.364 4.951 ( 1.572 1.766 0.000) 2.364 5.106 ( -0.016 6.005 0.000) 6.005 5.106 ( 0.016 6.005 0.000) 6.005 5.245 ( -5.481 4.606 0.000) 7.159 5.245 ( 5.481 4.606 0.000) 7.159 6.070 ( -3.347 -6.193 0.000) 7.040 6.070 ( 3.347 -6.193 0.000) 7.040 6.236 ( -0.741 -10.917 0.000) 10.942 6.236 ( 0.741 -10.917 0.000) 10.942 6.338 ( -0.126 -0.198 0.000) 0.235 6.338 ( 0.126 -0.198 0.000) 0.235 6.522 ( -0.787 0.165 0.000) 0.804 6.522 ( 0.787 0.165 0.000) 0.804 7.100 ( -6.196 3.964 0.000) 7.355 7.100 ( 6.196 3.964 0.000) 7.355 7.367 ( -0.072 8.563 0.000) 8.564 7.367 ( 0.072 8.563 0.000) 8.564 7.605 ( -4.259 -1.455 0.000) 4.500 7.605 ( 4.259 -1.455 0.000) 4.500 7.659 ( -2.275 -2.278 0.000) 3.219 7.659 ( 2.275 -2.278 0.000) 3.219 8.414 ( -1.515 -0.139 0.000) 1.522 8.414 ( 1.515 -0.139 0.000) 1.522 8.545 ( -0.830 -1.306 0.000) 1.548 8.545 ( 0.830 -1.306 0.000) 1.548 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 14.740 0.000) 14.740 1.161 ( 0.000 15.173 0.000) 15.173 1.231 ( 0.000 8.408 0.000) 8.408 1.278 ( 0.000 6.474 0.000) 6.474 1.361 ( 0.000 5.319 0.000) 5.319 1.471 ( 0.000 7.828 0.000) 7.828 1.506 ( 0.000 3.043 0.000) 3.043 1.509 ( 0.000 2.309 0.000) 2.309 1.519 ( 0.000 2.946 0.000) 2.946 1.563 ( 0.000 9.102 0.000) 9.102 1.662 ( 0.000 1.481 0.000) 1.481 1.671 ( 0.000 -0.732 0.000) 0.732 1.923 ( 0.000 4.511 0.000) 4.511 2.027 ( 0.000 2.083 0.000) 2.083 2.034 ( 0.000 3.524 0.000) 3.524 2.048 ( 0.000 -1.067 0.000) 1.067 2.077 ( 0.000 6.012 0.000) 6.012 2.100 ( 0.000 0.426 0.000) 0.426 2.122 ( 0.000 10.681 0.000) 10.681 2.124 ( 0.000 -1.122 0.000) 1.122 2.269 ( 0.000 -0.339 0.000) 0.339 2.296 ( 0.000 12.024 0.000) 12.024 2.399 ( 0.000 7.206 0.000) 7.206 2.429 ( 0.000 1.344 0.000) 1.344 2.515 ( 0.000 1.394 0.000) 1.394 2.536 ( 0.000 6.101 0.000) 6.101 2.632 ( 0.000 12.358 0.000) 12.358 2.703 ( 0.000 11.675 0.000) 11.675 2.753 ( 0.000 8.635 0.000) 8.635 2.850 ( 0.000 14.691 0.000) 14.691 2.876 ( 0.000 19.156 0.000) 19.156 2.896 ( 0.000 -0.150 0.000) 0.150 2.947 ( 0.000 -8.350 0.000) 8.350 2.971 ( 0.000 -3.362 0.000) 3.362 3.001 ( 0.000 -6.839 0.000) 6.839 3.089 ( 0.000 -7.733 0.000) 7.733 3.621 ( 0.000 0.941 0.000) 0.941 3.657 ( 0.000 3.554 0.000) 3.554 3.894 ( 0.000 -1.736 0.000) 1.736 3.910 ( 0.000 -2.959 0.000) 2.959 4.700 ( 0.000 2.468 0.000) 2.468 4.725 ( 0.000 2.593 0.000) 2.593 4.876 ( 0.000 -2.297 0.000) 2.297 4.908 ( 0.000 -4.154 0.000) 4.154 4.972 ( 0.000 6.342 0.000) 6.342 4.994 ( 0.000 5.912 0.000) 5.912 5.022 ( 0.000 5.953 0.000) 5.953 5.110 ( 0.000 6.337 0.000) 6.337 5.152 ( 0.000 6.088 0.000) 6.088 5.237 ( 0.000 8.723 0.000) 8.723 5.522 ( 0.000 0.793 0.000) 0.793 5.582 ( 0.000 -3.074 0.000) 3.074 5.868 ( 0.000 3.140 0.000) 3.140 5.891 ( 0.000 -11.788 0.000) 11.788 5.924 ( 0.000 -8.035 0.000) 8.035 6.044 ( 0.000 -7.662 0.000) 7.662 6.348 ( 0.000 4.634 0.000) 4.634 6.403 ( 0.000 4.156 0.000) 4.156 6.414 ( 0.000 7.894 0.000) 7.894 6.585 ( 0.000 6.507 0.000) 6.507 6.807 ( 0.000 0.025 0.000) 0.025 7.153 ( 0.000 -4.201 0.000) 4.201 7.412 ( 0.000 1.480 0.000) 1.480 7.412 ( 0.000 3.024 0.000) 3.024 7.549 ( 0.000 -2.896 0.000) 2.896 7.804 ( 0.000 9.782 0.000) 9.782 7.938 ( 0.000 -7.208 0.000) 7.208 8.178 ( 0.000 -2.364 0.000) 2.364 8.284 ( 0.000 5.837 0.000) 5.837 8.316 ( 0.000 0.011 0.000) 0.011 8.359 ( 0.000 0.441 0.000) 0.441 8.506 ( 0.000 0.074 0.000) 0.074 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 2.571 13.702 0.000) 13.942 1.123 ( -2.825 14.556 0.000) 14.828 1.280 ( 4.757 7.684 0.000) 9.037 1.322 ( 4.133 5.053 0.000) 6.528 1.344 ( -1.215 7.322 0.000) 7.422 1.456 ( -2.190 4.533 0.000) 5.034 1.486 ( -2.464 1.921 0.000) 3.124 1.539 ( 2.984 3.333 0.000) 4.474 1.551 ( 2.925 5.125 0.000) 5.901 1.601 ( 3.292 7.279 0.000) 7.989 1.624 ( -4.152 0.044 0.000) 4.152 1.651 ( -0.863 2.467 0.000) 2.614 1.925 ( 0.289 4.475 0.000) 4.484 2.017 ( -0.852 2.134 0.000) 2.297 2.024 ( -1.020 3.931 0.000) 4.061 2.046 ( -0.276 -0.685 0.000) 0.739 2.057 ( -2.478 1.657 0.000) 2.981 2.096 ( 1.837 5.735 0.000) 6.022 2.139 ( 1.560 8.806 0.000) 8.944 2.176 ( 2.997 -0.911 0.000) 3.133 2.207 ( -4.062 -0.489 0.000) 4.091 2.348 ( 2.359 7.659 0.000) 8.014 2.353 ( -4.942 1.339 0.000) 5.120 2.399 ( 1.141 10.506 0.000) 10.568 2.497 ( -1.614 1.822 0.000) 2.434 2.547 ( -4.543 3.190 0.000) 5.551 2.616 ( 1.132 12.448 0.000) 12.499 2.684 ( -1.820 11.199 0.000) 11.346 2.762 ( 1.480 9.619 0.000) 9.732 2.819 ( -4.223 -1.249 0.000) 4.404 2.880 ( 2.815 11.476 0.000) 11.816 2.909 ( 2.600 12.836 0.000) 13.097 2.983 ( -0.533 -2.481 0.000) 2.537 2.984 ( 3.819 -2.560 0.000) 4.597 3.037 ( 2.477 -2.407 0.000) 3.454 3.134 ( 3.665 -5.047 0.000) 6.237 3.640 ( 1.799 0.627 0.000) 1.905 3.670 ( 1.262 2.922 0.000) 3.183 3.888 ( -0.674 -1.525 0.000) 1.667 3.892 ( -1.701 -2.303 0.000) 2.863 4.701 ( 0.294 2.419 0.000) 2.437 4.730 ( 0.731 3.468 0.000) 3.544 4.879 ( 0.754 -1.919 0.000) 2.062 4.944 ( 3.007 -3.190 0.000) 4.384 4.945 ( -2.803 7.987 0.000) 8.465 4.969 ( -2.760 3.728 0.000) 4.639 4.992 ( -1.797 6.429 0.000) 6.675 5.136 ( 0.563 7.702 0.000) 7.723 5.150 ( -0.211 6.047 0.000) 6.051 5.207 ( -1.866 7.379 0.000) 7.612 5.468 ( -4.805 3.480 0.000) 5.933 5.528 ( -5.284 -1.995 0.000) 5.648 5.884 ( 1.632 0.962 0.000) 1.894 5.903 ( 1.237 -12.058 0.000) 12.121 5.945 ( 1.811 -9.014 0.000) 9.194 6.059 ( 0.939 -7.957 0.000) 8.013 6.363 ( 1.024 4.469 0.000) 4.585 6.408 ( -0.683 6.576 0.000) 6.611 6.426 ( 2.711 3.711 0.000) 4.596 6.571 ( -0.793 6.189 0.000) 6.239 6.865 ( 5.568 0.142 0.000) 5.570 7.192 ( 4.007 -4.254 0.000) 5.844 7.384 ( -2.845 2.983 0.000) 4.122 7.434 ( 1.696 2.363 0.000) 2.909 7.536 ( -0.647 -3.301 0.000) 3.364 7.766 ( -3.822 8.324 0.000) 9.160 7.842 ( -8.783 -5.889 0.000) 10.575 8.013 ( -11.798 -0.221 0.000) 11.800 8.329 ( 3.714 4.261 0.000) 5.653 8.366 ( 2.395 -0.403 0.000) 2.429 8.436 ( 5.525 -0.062 0.000) 5.526 8.521 ( 1.213 -0.114 0.000) 1.218 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 1.301 11.098 0.000) 11.174 1.141 ( 4.672 10.061 0.000) 11.092 1.339 ( 0.995 6.001 0.000) 6.083 1.340 ( -3.962 3.901 0.000) 5.560 1.389 ( -4.535 6.367 0.000) 7.817 1.390 ( 4.575 2.459 0.000) 5.194 1.467 ( 2.400 6.504 0.000) 6.932 1.534 ( -2.074 1.687 0.000) 2.673 1.591 ( -1.322 0.754 0.000) 1.522 1.607 ( -0.243 7.318 0.000) 7.322 1.621 ( 3.563 3.678 0.000) 5.121 1.677 ( 1.940 5.849 0.000) 6.162 1.936 ( 1.000 4.337 0.000) 4.450 1.997 ( -1.334 2.675 0.000) 2.990 2.002 ( -0.870 4.711 0.000) 4.791 2.020 ( -1.329 3.693 0.000) 3.925 2.039 ( -0.187 0.134 0.000) 0.230 2.101 ( -2.559 1.329 0.000) 2.883 2.167 ( 1.433 4.916 0.000) 5.121 2.189 ( 3.243 2.506 0.000) 4.098 2.202 ( -0.719 -0.732 0.000) 1.026 2.305 ( 0.491 3.204 0.000) 3.241 2.338 ( -1.165 3.053 0.000) 3.268 2.417 ( -7.592 2.751 0.000) 8.075 2.451 ( -0.467 -1.695 0.000) 1.758 2.498 ( 4.879 16.676 0.000) 17.375 2.561 ( -6.544 3.861 0.000) 7.598 2.663 ( -1.418 7.243 0.000) 7.380 2.806 ( 2.601 9.978 0.000) 10.312 2.825 ( 4.933 8.664 0.000) 9.970 2.912 ( -0.068 7.800 0.000) 7.800 2.958 ( 2.561 5.952 0.000) 6.480 2.967 ( -1.214 -1.286 0.000) 1.768 3.049 ( -1.234 2.063 0.000) 2.404 3.081 ( 5.793 2.906 0.000) 6.481 3.188 ( 1.351 -1.414 0.000) 1.956 3.677 ( 1.799 0.142 0.000) 1.804 3.694 ( 0.958 1.538 0.000) 1.812 3.860 ( -1.328 -1.001 0.000) 1.663 3.869 ( -1.183 -0.967 0.000) 1.528 4.725 ( 2.627 3.870 0.000) 4.678 4.756 ( 2.112 4.719 0.000) 5.170 4.878 ( -3.948 8.418 0.000) 9.298 4.897 ( -4.692 4.935 0.000) 6.809 4.910 ( 2.642 0.710 0.000) 2.736 4.970 ( -0.391 4.061 0.000) 4.080 4.991 ( 1.196 -1.665 0.000) 2.050 5.076 ( -5.221 7.623 0.000) 9.239 5.153 ( 1.120 5.652 0.000) 5.762 5.215 ( 1.028 5.996 0.000) 6.084 5.383 ( -3.493 6.406 0.000) 7.297 5.415 ( -5.795 0.518 0.000) 5.818 5.919 ( 1.738 -3.539 0.000) 3.943 5.929 ( 1.224 -10.901 0.000) 10.970 5.983 ( 2.289 -10.147 0.000) 10.402 6.061 ( -0.914 -8.699 0.000) 8.747 6.375 ( 0.310 4.362 0.000) 4.373 6.392 ( -0.904 4.999 0.000) 5.080 6.494 ( 3.779 2.713 0.000) 4.652 6.565 ( -0.131 4.344 0.000) 4.346 6.994 ( 7.827 0.551 0.000) 7.846 7.291 ( -6.717 2.373 0.000) 7.124 7.296 ( 6.889 -4.123 0.000) 8.028 7.478 ( 2.721 3.814 0.000) 4.685 7.553 ( 2.576 -2.848 0.000) 3.840 7.658 ( -9.613 -5.371 0.000) 11.011 7.675 ( -5.392 5.438 0.000) 7.658 7.801 ( -10.136 0.202 0.000) 10.138 8.395 ( 3.002 2.866 0.000) 4.151 8.411 ( 2.139 0.869 0.000) 2.308 8.506 ( 2.059 -0.254 0.000) 2.074 8.536 ( 0.175 -0.280 0.000) 0.330 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -4.284 4.300 0.000) 6.069 1.170 ( 4.284 4.300 0.000) 6.069 1.291 ( -3.572 9.008 0.000) 9.690 1.291 ( 3.572 9.008 0.000) 9.690 1.394 ( -3.432 3.874 0.000) 5.175 1.394 ( 3.432 3.874 0.000) 5.175 1.521 ( -4.529 4.906 0.000) 6.677 1.521 ( 4.529 4.906 0.000) 6.677 1.584 ( -3.541 2.770 0.000) 4.495 1.584 ( 3.541 2.770 0.000) 4.495 1.675 ( -1.836 5.956 0.000) 6.232 1.675 ( 1.836 5.956 0.000) 6.232 1.966 ( -1.918 3.603 0.000) 4.082 1.966 ( 1.918 3.603 0.000) 4.082 2.002 ( -0.679 4.156 0.000) 4.211 2.002 ( 0.679 4.156 0.000) 4.211 2.053 ( -1.866 0.904 0.000) 2.074 2.053 ( 1.866 0.904 0.000) 2.074 2.183 ( -0.655 0.978 0.000) 1.178 2.183 ( 0.655 0.978 0.000) 1.178 2.283 ( -6.227 1.689 0.000) 6.452 2.283 ( 6.227 1.689 0.000) 6.452 2.331 ( -0.657 7.098 0.000) 7.129 2.331 ( 0.657 7.098 0.000) 7.129 2.456 ( -3.071 -2.437 0.000) 3.920 2.456 ( 3.071 -2.437 0.000) 3.920 2.600 ( -4.886 11.871 0.000) 12.837 2.600 ( 4.886 11.871 0.000) 12.837 2.871 ( -3.129 9.482 0.000) 9.985 2.871 ( 3.129 9.482 0.000) 9.985 2.923 ( -3.754 4.525 0.000) 5.880 2.923 ( 3.754 4.525 0.000) 5.880 3.006 ( -2.669 3.052 0.000) 4.054 3.006 ( 2.669 3.052 0.000) 4.054 3.171 ( -3.163 1.656 0.000) 3.570 3.171 ( 3.163 1.656 0.000) 3.570 3.699 ( -0.481 0.375 0.000) 0.610 3.699 ( 0.481 0.375 0.000) 0.610 3.852 ( -0.457 -0.490 0.000) 0.670 3.852 ( 0.457 -0.490 0.000) 0.670 4.799 ( -4.727 6.647 0.000) 8.157 4.799 ( 4.727 6.647 0.000) 8.157 4.810 ( -3.717 5.405 0.000) 6.560 4.810 ( 3.717 5.405 0.000) 6.560 4.970 ( -1.941 2.938 0.000) 3.521 4.970 ( 1.941 2.938 0.000) 3.521 4.991 ( -1.364 3.148 0.000) 3.431 4.991 ( 1.364 3.148 0.000) 3.431 5.199 ( -2.801 4.671 0.000) 5.447 5.199 ( 2.801 4.671 0.000) 5.447 5.351 ( -0.433 4.971 0.000) 4.990 5.351 ( 0.433 4.971 0.000) 4.990 5.939 ( -0.280 -7.801 0.000) 7.806 5.939 ( 0.280 -7.801 0.000) 7.806 6.028 ( -2.327 -9.892 0.000) 10.162 6.028 ( 2.327 -9.892 0.000) 10.162 6.380 ( -0.348 4.462 0.000) 4.476 6.380 ( 0.348 4.462 0.000) 4.476 6.549 ( -1.862 2.657 0.000) 3.244 6.549 ( 1.862 2.657 0.000) 3.244 7.148 ( -8.222 1.327 0.000) 8.328 7.148 ( 8.222 1.327 0.000) 8.328 7.442 ( -7.996 -2.141 0.000) 8.278 7.442 ( 7.996 -2.141 0.000) 8.278 7.580 ( -3.908 1.194 0.000) 4.087 7.580 ( 3.908 1.194 0.000) 4.087 7.645 ( -6.377 -0.596 0.000) 6.405 7.645 ( 6.377 -0.596 0.000) 6.405 8.430 ( -0.456 1.902 0.000) 1.956 8.430 ( 0.456 1.902 0.000) 1.956 8.529 ( -0.746 -0.245 0.000) 0.786 8.529 ( 0.746 -0.245 0.000) 0.786 ======================= Grid point 28 (17/56) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 9.866 0.000) 9.866 1.379 ( 0.000 6.376 0.000) 6.376 1.405 ( 0.000 10.098 0.000) 10.098 1.412 ( 0.000 6.577 0.000) 6.577 1.434 ( 0.000 2.904 0.000) 2.904 1.562 ( 0.000 3.520 0.000) 3.520 1.580 ( 0.000 4.318 0.000) 4.318 1.582 ( 0.000 3.303 0.000) 3.303 1.588 ( 0.000 2.920 0.000) 2.920 1.641 ( 0.000 -2.102 0.000) 2.102 1.699 ( 0.000 5.398 0.000) 5.398 1.709 ( 0.000 4.496 0.000) 4.496 2.002 ( 0.000 3.556 0.000) 3.556 2.022 ( 0.000 -1.296 0.000) 1.296 2.053 ( 0.000 0.685 0.000) 0.685 2.089 ( 0.000 2.247 0.000) 2.247 2.108 ( 0.000 -0.282 0.000) 0.282 2.114 ( 0.000 0.980 0.000) 0.980 2.182 ( 0.000 4.540 0.000) 4.540 2.240 ( 0.000 -2.064 0.000) 2.064 2.261 ( 0.000 4.692 0.000) 4.692 2.386 ( 0.000 2.232 0.000) 2.232 2.410 ( 0.000 -2.032 0.000) 2.032 2.487 ( 0.000 -1.952 0.000) 1.952 2.574 ( 0.000 -1.080 0.000) 1.080 2.595 ( 0.000 1.679 0.000) 1.679 2.792 ( 0.000 0.457 0.000) 0.457 2.793 ( 0.000 -6.821 0.000) 6.821 2.834 ( 0.000 2.475 0.000) 2.475 2.889 ( 0.000 -0.769 0.000) 0.769 2.932 ( 0.000 8.599 0.000) 8.599 2.948 ( 0.000 -1.458 0.000) 1.458 2.987 ( 0.000 10.831 0.000) 10.831 3.037 ( 0.000 4.978 0.000) 4.978 3.183 ( 0.000 17.875 0.000) 17.875 3.264 ( 0.000 18.616 0.000) 18.616 3.661 ( 0.000 2.830 0.000) 2.830 3.732 ( 0.000 3.934 0.000) 3.934 3.859 ( 0.000 -2.366 0.000) 2.366 3.875 ( 0.000 -0.496 0.000) 0.496 4.743 ( 0.000 1.886 0.000) 1.886 4.754 ( 0.000 0.098 0.000) 0.098 4.827 ( 0.000 -3.850 0.000) 3.850 4.831 ( 0.000 -1.668 0.000) 1.668 5.023 ( 0.000 1.270 0.000) 1.270 5.067 ( 0.000 3.535 0.000) 3.535 5.202 ( 0.000 8.444 0.000) 8.444 5.220 ( 0.000 5.377 0.000) 5.377 5.265 ( 0.000 5.541 0.000) 5.541 5.393 ( 0.000 6.751 0.000) 6.751 5.518 ( 0.000 -0.967 0.000) 0.967 5.540 ( 0.000 -1.410 0.000) 1.410 5.694 ( 0.000 -8.479 0.000) 8.479 5.762 ( 0.000 -8.171 0.000) 8.171 5.920 ( 0.000 1.866 0.000) 1.866 5.927 ( 0.000 -4.254 0.000) 4.254 6.472 ( 0.000 7.477 0.000) 7.477 6.507 ( 0.000 6.148 0.000) 6.148 6.567 ( 0.000 7.532 0.000) 7.532 6.690 ( 0.000 4.444 0.000) 4.444 6.817 ( 0.000 1.093 0.000) 1.093 7.068 ( 0.000 -4.589 0.000) 4.589 7.408 ( 0.000 -1.334 0.000) 1.334 7.432 ( 0.000 -0.574 0.000) 0.574 7.500 ( 0.000 -1.988 0.000) 1.988 7.791 ( 0.000 -7.904 0.000) 7.904 7.914 ( 0.000 2.058 0.000) 2.058 8.099 ( 0.000 -5.130 0.000) 5.130 8.359 ( 0.000 3.998 0.000) 3.998 8.397 ( 0.000 2.805 0.000) 2.805 8.405 ( 0.000 6.058 0.000) 6.058 8.519 ( 0.000 1.076 0.000) 1.076 ======================= Grid point 29 (18/56) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.279 9.804 0.000) 9.887 1.328 ( -4.332 6.808 0.000) 8.070 1.375 ( 0.250 4.206 0.000) 4.214 1.435 ( 1.148 3.789 0.000) 3.959 1.483 ( 1.240 7.261 0.000) 7.367 1.552 ( 0.528 5.411 0.000) 5.437 1.553 ( -1.976 5.347 0.000) 5.701 1.594 ( -0.272 -0.413 0.000) 0.495 1.611 ( 2.703 3.025 0.000) 4.057 1.625 ( -1.608 0.867 0.000) 1.827 1.717 ( 1.365 4.729 0.000) 4.922 1.729 ( 2.377 5.011 0.000) 5.546 2.003 ( 0.178 3.468 0.000) 3.472 2.027 ( 0.522 -0.776 0.000) 0.935 2.051 ( -0.203 0.962 0.000) 0.983 2.086 ( -0.294 2.281 0.000) 2.300 2.094 ( -0.317 2.037 0.000) 2.061 2.145 ( 1.898 -1.312 0.000) 2.307 2.188 ( -2.490 0.029 0.000) 2.490 2.202 ( 0.069 4.068 0.000) 4.069 2.271 ( 0.758 5.022 0.000) 5.079 2.352 ( -3.665 -0.706 0.000) 3.733 2.378 ( -4.368 -0.677 0.000) 4.420 2.431 ( -0.653 -2.129 0.000) 2.227 2.592 ( -3.439 1.806 0.000) 3.884 2.657 ( 4.364 2.291 0.000) 4.929 2.675 ( -3.917 -6.750 0.000) 7.804 2.785 ( -2.607 1.821 0.000) 3.181 2.850 ( 1.899 3.856 0.000) 4.298 2.905 ( -1.615 0.022 0.000) 1.616 2.962 ( 4.622 4.104 0.000) 6.181 2.969 ( 3.118 7.862 0.000) 8.457 3.033 ( 4.506 3.501 0.000) 5.706 3.118 ( 5.291 4.478 0.000) 6.932 3.178 ( -0.462 16.403 0.000) 16.410 3.265 ( 0.079 16.555 0.000) 16.555 3.672 ( 1.131 2.442 0.000) 2.691 3.734 ( 0.201 3.458 0.000) 3.463 3.852 ( -0.708 -1.950 0.000) 2.074 3.870 ( -0.492 -0.524 0.000) 0.719 4.734 ( 0.801 1.011 0.000) 1.290 4.784 ( 1.120 1.762 0.000) 2.088 4.835 ( 3.692 -1.845 0.000) 4.128 4.893 ( 4.230 -1.762 0.000) 4.583 4.999 ( -2.303 1.484 0.000) 2.740 5.041 ( -2.625 3.166 0.000) 4.112 5.158 ( -2.772 7.953 0.000) 8.422 5.263 ( -0.169 5.572 0.000) 5.574 5.267 ( 2.685 5.913 0.000) 6.494 5.361 ( -3.310 7.619 0.000) 8.307 5.498 ( -4.091 -0.847 0.000) 4.178 5.505 ( -1.452 0.478 0.000) 1.529 5.696 ( 0.523 -9.077 0.000) 9.092 5.773 ( 1.167 -8.401 0.000) 8.482 5.882 ( -2.666 -1.965 0.000) 3.312 5.940 ( -0.046 -3.768 0.000) 3.768 6.481 ( 0.680 7.183 0.000) 7.215 6.523 ( 1.752 5.775 0.000) 6.035 6.546 ( -1.727 7.371 0.000) 7.571 6.678 ( -1.071 4.902 0.000) 5.017 6.873 ( 5.406 0.623 0.000) 5.442 7.105 ( 3.836 -4.710 0.000) 6.075 7.411 ( -1.183 0.399 0.000) 1.249 7.442 ( 0.868 -1.134 0.000) 1.428 7.472 ( -0.976 -3.095 0.000) 3.245 7.719 ( -7.079 -6.814 0.000) 9.826 7.854 ( -5.765 1.382 0.000) 5.929 7.982 ( -9.896 -2.881 0.000) 10.307 8.396 ( 3.005 3.219 0.000) 4.404 8.426 ( 1.934 5.156 0.000) 5.507 8.454 ( 4.227 1.630 0.000) 4.530 8.530 ( 0.881 0.857 0.000) 1.229 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -2.009 6.093 0.000) 6.416 1.297 ( -1.916 5.597 0.000) 5.916 1.400 ( 2.360 2.877 0.000) 3.721 1.452 ( 1.487 4.539 0.000) 4.777 1.474 ( -1.404 7.509 0.000) 7.639 1.518 ( -1.787 6.437 0.000) 6.680 1.570 ( -2.335 1.867 0.000) 2.990 1.576 ( -1.565 -1.788 0.000) 2.377 1.608 ( 3.870 6.987 0.000) 7.987 1.689 ( 4.871 3.020 0.000) 5.731 1.724 ( -0.774 4.308 0.000) 4.377 1.785 ( 2.263 4.885 0.000) 5.383 2.011 ( 0.758 3.245 0.000) 3.332 2.036 ( 0.091 0.829 0.000) 0.834 2.047 ( 0.013 1.221 0.000) 1.221 2.082 ( 0.028 2.453 0.000) 2.453 2.093 ( -0.022 3.411 0.000) 3.411 2.114 ( -3.829 1.457 0.000) 4.097 2.169 ( 0.437 -1.615 0.000) 1.673 2.231 ( -1.893 1.205 0.000) 2.244 2.248 ( -0.095 2.711 0.000) 2.712 2.314 ( -0.546 -0.792 0.000) 0.962 2.328 ( 2.064 0.024 0.000) 2.064 2.443 ( 0.541 0.027 0.000) 0.541 2.490 ( -5.017 2.839 0.000) 5.764 2.548 ( -8.005 -0.791 0.000) 8.044 2.730 ( 3.316 2.724 0.000) 4.292 2.826 ( 2.225 5.814 0.000) 6.225 2.860 ( -1.333 -5.801 0.000) 5.952 2.891 ( 1.641 3.334 0.000) 3.716 3.030 ( 3.288 7.850 0.000) 8.511 3.037 ( 3.304 9.766 0.000) 10.310 3.121 ( 3.414 3.063 0.000) 4.587 3.168 ( -0.691 13.233 0.000) 13.252 3.197 ( 3.253 3.765 0.000) 4.976 3.263 ( -0.407 11.240 0.000) 11.247 3.697 ( 1.399 1.809 0.000) 2.287 3.734 ( -0.323 2.434 0.000) 2.455 3.840 ( -0.394 -1.135 0.000) 1.201 3.857 ( -0.905 -0.549 0.000) 1.058 4.782 ( 4.093 1.907 0.000) 4.515 4.815 ( 2.619 1.175 0.000) 2.871 4.940 ( 6.782 2.628 0.000) 7.274 4.942 ( -3.690 1.673 0.000) 4.051 4.976 ( -4.134 2.076 0.000) 4.626 4.978 ( 4.646 0.707 0.000) 4.700 5.103 ( -3.065 8.120 0.000) 8.679 5.240 ( -6.759 8.346 0.000) 10.739 5.263 ( 0.463 5.555 0.000) 5.574 5.332 ( 0.867 6.309 0.000) 6.369 5.414 ( -3.588 -0.270 0.000) 3.598 5.466 ( -2.515 2.314 0.000) 3.418 5.722 ( 2.149 -9.903 0.000) 10.133 5.807 ( 2.446 -8.329 0.000) 8.680 5.827 ( -3.118 -6.114 0.000) 6.863 5.919 ( -2.232 -6.168 0.000) 6.560 6.491 ( 0.378 7.108 0.000) 7.118 6.516 ( -1.338 7.398 0.000) 7.518 6.569 ( 2.825 4.753 0.000) 5.529 6.654 ( -1.526 4.675 0.000) 4.918 7.002 ( 7.975 0.228 0.000) 7.979 7.206 ( 6.831 -4.956 0.000) 8.439 7.314 ( -7.466 0.372 0.000) 7.476 7.477 ( 1.167 -4.077 0.000) 4.240 7.509 ( 3.683 -0.755 0.000) 3.760 7.566 ( -6.620 -4.393 0.000) 7.945 7.725 ( -7.361 0.134 0.000) 7.362 7.788 ( -10.045 -1.586 0.000) 10.169 8.452 ( 2.624 2.983 0.000) 3.973 8.464 ( 1.823 3.823 0.000) 4.236 8.514 ( 1.934 0.869 0.000) 2.120 8.541 ( 0.105 0.643 0.000) 0.651 ======================= Grid point 31 (20/56) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.214 4.640 0.000) 4.796 1.259 ( 1.214 4.640 0.000) 4.796 1.444 ( -1.949 5.290 0.000) 5.637 1.444 ( 1.949 5.290 0.000) 5.637 1.486 ( -1.669 5.914 0.000) 6.145 1.486 ( 1.669 5.914 0.000) 6.145 1.548 ( -0.629 0.526 0.000) 0.820 1.548 ( 0.629 0.526 0.000) 0.820 1.684 ( -3.442 5.292 0.000) 6.313 1.684 ( 3.442 5.292 0.000) 6.313 1.775 ( -3.386 3.756 0.000) 5.057 1.775 ( 3.386 3.756 0.000) 5.057 2.027 ( -0.778 2.442 0.000) 2.563 2.027 ( 0.778 2.442 0.000) 2.563 2.061 ( -1.594 1.708 0.000) 2.336 2.061 ( 1.594 1.708 0.000) 2.336 2.088 ( -0.475 2.795 0.000) 2.835 2.088 ( 0.475 2.795 0.000) 2.835 2.177 ( -1.242 -0.666 0.000) 1.409 2.177 ( 1.242 -0.666 0.000) 1.409 2.294 ( -2.268 0.147 0.000) 2.273 2.294 ( 2.268 0.147 0.000) 2.273 2.403 ( -5.379 -0.819 0.000) 5.441 2.403 ( 5.379 -0.819 0.000) 5.441 2.449 ( -1.022 4.279 0.000) 4.399 2.449 ( 1.022 4.279 0.000) 4.399 2.788 ( -3.054 3.127 0.000) 4.370 2.788 ( 3.054 3.127 0.000) 4.370 2.893 ( -1.454 -0.054 0.000) 1.455 2.893 ( 1.454 -0.054 0.000) 1.455 3.073 ( -0.303 7.952 0.000) 7.957 3.073 ( 0.303 7.952 0.000) 7.957 3.152 ( -0.828 10.131 0.000) 10.165 3.152 ( 0.828 10.131 0.000) 10.165 3.245 ( -1.721 5.196 0.000) 5.473 3.245 ( 1.721 5.196 0.000) 5.473 3.721 ( -1.045 1.749 0.000) 2.038 3.721 ( 1.045 1.749 0.000) 2.038 3.841 ( -0.561 -0.651 0.000) 0.860 3.841 ( 0.561 -0.651 0.000) 0.860 4.866 ( -4.271 1.691 0.000) 4.594 4.866 ( 4.271 1.691 0.000) 4.594 4.888 ( -4.979 1.778 0.000) 5.287 4.888 ( 4.979 1.778 0.000) 5.287 5.043 ( -3.534 5.392 0.000) 6.447 5.043 ( 3.534 5.392 0.000) 6.447 5.093 ( -8.029 6.433 0.000) 10.288 5.093 ( 8.029 6.433 0.000) 10.288 5.295 ( -3.062 5.134 0.000) 5.978 5.295 ( 3.062 5.134 0.000) 5.978 5.417 ( -2.419 2.120 0.000) 3.216 5.417 ( 2.419 2.120 0.000) 3.216 5.770 ( -2.852 -9.212 0.000) 9.643 5.770 ( 2.852 -9.212 0.000) 9.643 5.863 ( -3.345 -7.613 0.000) 8.315 5.863 ( 3.345 -7.613 0.000) 8.315 6.498 ( -0.562 7.295 0.000) 7.316 6.498 ( 0.562 7.295 0.000) 7.316 6.618 ( -2.302 4.288 0.000) 4.867 6.618 ( 2.302 4.288 0.000) 4.867 7.160 ( -8.609 0.134 0.000) 8.610 7.160 ( 8.609 0.134 0.000) 8.610 7.356 ( -8.901 -5.331 0.000) 10.375 7.356 ( 8.901 -5.331 0.000) 10.375 7.595 ( -6.097 -0.635 0.000) 6.130 7.595 ( 6.097 -0.635 0.000) 6.130 7.623 ( -7.265 -1.582 0.000) 7.435 7.623 ( 7.265 -1.582 0.000) 7.435 8.482 ( -0.261 3.072 0.000) 3.083 8.482 ( 0.261 3.072 0.000) 3.083 8.534 ( -0.640 0.694 0.000) 0.944 8.534 ( 0.640 0.694 0.000) 0.944 ======================= Grid point 35 (21/56) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 5.885 0.000) 5.885 1.466 ( 0.000 2.753 0.000) 2.753 1.488 ( 0.000 2.795 0.000) 2.795 1.500 ( 0.000 2.777 0.000) 2.777 1.555 ( 0.000 5.537 0.000) 5.537 1.589 ( 0.000 -1.550 0.000) 1.550 1.598 ( 0.000 -2.126 0.000) 2.126 1.632 ( 0.000 1.544 0.000) 1.544 1.639 ( 0.000 3.744 0.000) 3.744 1.658 ( 0.000 3.078 0.000) 3.078 1.779 ( 0.000 3.091 0.000) 3.091 1.806 ( 0.000 3.670 0.000) 3.670 2.010 ( 0.000 0.226 0.000) 0.226 2.051 ( 0.000 -0.901 0.000) 0.901 2.062 ( 0.000 2.890 0.000) 2.890 2.115 ( 0.000 1.052 0.000) 1.052 2.134 ( 0.000 3.044 0.000) 3.044 2.135 ( 0.000 0.939 0.000) 0.939 2.190 ( 0.000 -2.162 0.000) 2.162 2.260 ( 0.000 3.124 0.000) 3.124 2.312 ( 0.000 0.883 0.000) 0.883 2.383 ( 0.000 -0.137 0.000) 0.137 2.430 ( 0.000 0.934 0.000) 0.934 2.464 ( 0.000 -8.668 0.000) 8.668 2.469 ( 0.000 -0.064 0.000) 0.064 2.511 ( 0.000 -4.992 0.000) 4.992 2.685 ( 0.000 -3.188 0.000) 3.188 2.728 ( 0.000 -4.236 0.000) 4.236 2.873 ( 0.000 -0.620 0.000) 0.620 2.910 ( 0.000 -2.137 0.000) 2.137 2.981 ( 0.000 7.669 0.000) 7.669 3.057 ( 0.000 3.986 0.000) 3.986 3.171 ( 0.000 6.892 0.000) 6.892 3.176 ( 0.000 6.283 0.000) 6.283 3.488 ( 0.000 12.485 0.000) 12.485 3.545 ( 0.000 9.959 0.000) 9.959 3.718 ( 0.000 2.845 0.000) 2.845 3.800 ( 0.000 3.026 0.000) 3.026 3.815 ( 0.000 -2.372 0.000) 2.372 3.866 ( 0.000 -0.604 0.000) 0.604 4.736 ( 0.000 -1.156 0.000) 1.156 4.749 ( 0.000 -1.638 0.000) 1.638 4.792 ( 0.000 0.863 0.000) 0.863 4.819 ( 0.000 -0.103 0.000) 0.103 5.056 ( 0.000 2.096 0.000) 2.096 5.106 ( 0.000 0.608 0.000) 0.608 5.317 ( 0.000 4.430 0.000) 4.430 5.330 ( 0.000 4.612 0.000) 4.612 5.366 ( 0.000 4.974 0.000) 4.974 5.483 ( 0.000 2.552 0.000) 2.552 5.503 ( 0.000 -0.012 0.000) 0.012 5.520 ( 0.000 -0.799 0.000) 0.799 5.561 ( 0.000 -5.734 0.000) 5.734 5.622 ( 0.000 -6.122 0.000) 6.122 5.884 ( 0.000 -0.359 0.000) 0.359 5.931 ( 0.000 -0.757 0.000) 0.757 6.607 ( 0.000 5.791 0.000) 5.791 6.618 ( 0.000 4.788 0.000) 4.788 6.693 ( 0.000 5.354 0.000) 5.354 6.754 ( 0.000 2.104 0.000) 2.104 6.850 ( 0.000 2.299 0.000) 2.299 6.981 ( 0.000 -4.328 0.000) 4.328 7.375 ( 0.000 -1.545 0.000) 1.545 7.403 ( 0.000 -2.066 0.000) 2.066 7.487 ( 0.000 0.889 0.000) 0.889 7.644 ( 0.000 -6.999 0.000) 6.999 7.923 ( 0.000 -0.120 0.000) 0.120 8.002 ( 0.000 -4.555 0.000) 4.555 8.435 ( 0.000 3.175 0.000) 3.175 8.448 ( 0.000 2.116 0.000) 2.116 8.499 ( 0.000 3.537 0.000) 3.537 8.539 ( 0.000 0.770 0.000) 0.770 ======================= Grid point 36 (22/56) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -4.112 4.031 0.000) 5.759 1.426 ( -0.384 3.532 0.000) 3.553 1.447 ( -3.958 1.949 0.000) 4.412 1.503 ( 3.018 4.836 0.000) 5.701 1.557 ( -2.155 -2.423 0.000) 3.243 1.606 ( 2.382 4.574 0.000) 5.157 1.616 ( 0.138 -0.266 0.000) 0.300 1.645 ( 0.182 3.570 0.000) 3.575 1.652 ( 1.876 3.535 0.000) 4.001 1.676 ( 1.712 1.876 0.000) 2.540 1.780 ( -0.384 2.018 0.000) 2.054 1.805 ( 0.668 2.131 0.000) 2.233 2.019 ( 1.090 0.214 0.000) 1.110 2.054 ( 0.298 -0.666 0.000) 0.729 2.061 ( -0.079 2.670 0.000) 2.671 2.123 ( 0.795 1.143 0.000) 1.393 2.130 ( -0.434 3.027 0.000) 3.058 2.147 ( 0.989 0.948 0.000) 1.370 2.176 ( -1.268 -1.228 0.000) 1.765 2.267 ( 0.389 2.459 0.000) 2.489 2.320 ( -0.290 -0.323 0.000) 0.434 2.346 ( -4.632 -1.810 0.000) 4.973 2.350 ( -2.326 0.987 0.000) 2.527 2.436 ( 0.424 2.271 0.000) 2.310 2.526 ( -1.015 -7.680 0.000) 7.747 2.569 ( 4.742 -5.914 0.000) 7.580 2.629 ( -1.117 2.376 0.000) 2.625 2.755 ( -1.681 -2.926 0.000) 3.375 2.894 ( 0.868 -1.246 0.000) 1.519 2.926 ( 4.940 -3.012 0.000) 5.785 3.004 ( 2.062 7.648 0.000) 7.922 3.086 ( 2.649 3.665 0.000) 4.522 3.191 ( 2.552 7.279 0.000) 7.713 3.229 ( 4.030 4.977 0.000) 6.404 3.460 ( -2.789 11.652 0.000) 11.981 3.519 ( -2.753 9.040 0.000) 9.450 3.723 ( 0.573 2.639 0.000) 2.701 3.795 ( -0.506 2.757 0.000) 2.803 3.814 ( -0.087 -2.096 0.000) 2.098 3.860 ( -0.653 -0.721 0.000) 0.973 4.743 ( 1.774 0.154 0.000) 1.781 4.773 ( 1.533 -1.621 0.000) 2.231 4.845 ( 6.053 1.671 0.000) 6.280 4.877 ( 5.401 -0.245 0.000) 5.407 5.033 ( -2.343 1.992 0.000) 3.075 5.078 ( -3.060 0.615 0.000) 3.121 5.283 ( -2.106 5.134 0.000) 5.549 5.355 ( 1.182 2.522 0.000) 2.785 5.363 ( -0.214 4.862 0.000) 4.867 5.469 ( -1.402 3.373 0.000) 3.653 5.505 ( -0.002 0.270 0.000) 0.270 5.508 ( -1.545 1.851 0.000) 2.411 5.554 ( -0.460 -5.972 0.000) 5.989 5.632 ( 1.075 -6.131 0.000) 6.224 5.831 ( -5.337 -1.780 0.000) 5.626 5.890 ( -4.027 -2.668 0.000) 4.831 6.613 ( 0.481 5.704 0.000) 5.724 6.628 ( 1.140 4.622 0.000) 4.761 6.679 ( -1.213 5.966 0.000) 6.088 6.754 ( -0.513 2.600 0.000) 2.650 6.891 ( 4.431 1.436 0.000) 4.658 7.015 ( 3.605 -4.491 0.000) 5.759 7.388 ( 1.165 -1.947 0.000) 2.269 7.419 ( 1.552 -2.397 0.000) 2.856 7.441 ( -4.306 1.359 0.000) 4.516 7.589 ( -5.435 -6.269 0.000) 8.297 7.855 ( -6.497 -0.368 0.000) 6.507 7.916 ( -7.995 -3.532 0.000) 8.740 8.461 ( 2.427 2.898 0.000) 3.780 8.486 ( 2.983 1.357 0.000) 3.277 8.508 ( 0.892 3.179 0.000) 3.302 8.546 ( 0.607 0.636 0.000) 0.880 ======================= Grid point 37 (23/56) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -2.285 4.379 0.000) 4.939 1.375 ( -2.930 3.174 0.000) 4.320 1.435 ( 1.091 0.836 0.000) 1.375 1.514 ( -2.417 -3.105 0.000) 3.935 1.560 ( 2.543 5.217 0.000) 5.804 1.608 ( -0.368 2.400 0.000) 2.428 1.619 ( -1.615 5.895 0.000) 6.112 1.631 ( -0.443 5.218 0.000) 5.236 1.702 ( 2.995 2.252 0.000) 3.747 1.715 ( 2.673 -0.641 0.000) 2.748 1.763 ( -1.075 -0.127 0.000) 1.082 1.826 ( 0.237 -1.438 0.000) 1.457 2.048 ( 1.511 0.718 0.000) 1.673 2.063 ( 0.418 2.474 0.000) 2.509 2.063 ( 0.887 0.298 0.000) 0.936 2.114 ( -1.335 1.871 0.000) 2.298 2.141 ( 0.709 1.478 0.000) 1.640 2.147 ( -1.568 1.131 0.000) 1.934 2.161 ( 0.509 0.545 0.000) 0.746 2.223 ( -3.424 -0.389 0.000) 3.446 2.300 ( 0.698 2.386 0.000) 2.486 2.318 ( -0.973 1.936 0.000) 2.167 2.359 ( 2.061 1.127 0.000) 2.349 2.458 ( 2.196 2.238 0.000) 3.136 2.472 ( -3.588 -3.314 0.000) 4.885 2.595 ( -3.632 3.659 0.000) 5.156 2.646 ( 3.518 -6.595 0.000) 7.475 2.733 ( -0.795 -5.162 0.000) 5.222 2.915 ( 3.022 2.963 0.000) 4.232 3.032 ( 0.077 7.340 0.000) 7.340 3.057 ( 6.819 -3.715 0.000) 7.766 3.136 ( 2.170 2.693 0.000) 3.458 3.253 ( 3.788 7.303 0.000) 8.227 3.299 ( 3.156 4.593 0.000) 5.573 3.395 ( -3.700 9.330 0.000) 10.036 3.446 ( -4.846 6.799 0.000) 8.349 3.739 ( 1.008 2.287 0.000) 2.500 3.781 ( -1.016 2.282 0.000) 2.498 3.814 ( 0.250 -1.519 0.000) 1.540 3.843 ( -1.045 -0.922 0.000) 1.394 4.803 ( 4.312 0.563 0.000) 4.348 4.818 ( 3.340 -0.364 0.000) 3.360 4.971 ( -4.098 1.424 0.000) 4.338 4.997 ( 9.273 2.787 0.000) 9.683 4.998 ( -5.009 0.417 0.000) 5.027 5.013 ( 9.163 2.199 0.000) 9.423 5.239 ( -2.888 5.785 0.000) 6.466 5.353 ( -3.169 1.241 0.000) 3.403 5.360 ( 0.112 4.446 0.000) 4.447 5.422 ( -2.858 4.342 0.000) 5.198 5.472 ( -1.696 6.608 0.000) 6.823 5.491 ( -1.414 1.004 0.000) 1.734 5.560 ( 1.284 -6.569 0.000) 6.693 5.664 ( 2.390 -6.441 0.000) 6.870 5.705 ( -7.178 -5.838 0.000) 9.253 5.802 ( -4.782 -6.407 0.000) 7.995 6.623 ( 0.602 5.898 0.000) 5.929 6.655 ( -1.177 6.548 0.000) 6.653 6.659 ( 1.996 3.994 0.000) 4.465 6.733 ( -1.558 3.051 0.000) 3.426 7.006 ( 7.503 0.496 0.000) 7.520 7.113 ( 6.627 -4.620 0.000) 8.078 7.315 ( -7.643 -0.045 0.000) 7.643 7.399 ( -4.223 -3.851 0.000) 5.715 7.475 ( 3.894 -2.139 0.000) 4.443 7.497 ( -0.063 -2.428 0.000) 2.429 7.711 ( -8.182 -0.905 0.000) 8.232 7.746 ( -9.279 -2.444 0.000) 9.596 8.507 ( 2.149 2.355 0.000) 3.188 8.527 ( 0.890 2.457 0.000) 2.613 8.532 ( 1.652 0.796 0.000) 1.833 8.554 ( 0.117 0.576 0.000) 0.588 ======================= Grid point 38 (24/56) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.361 4.114 0.000) 4.129 1.343 ( 0.361 4.114 0.000) 4.129 1.468 ( -2.317 -1.527 0.000) 2.775 1.468 ( 2.317 -1.527 0.000) 2.775 1.589 ( -1.117 4.432 0.000) 4.571 1.589 ( 1.117 4.432 0.000) 4.571 1.617 ( -1.040 5.784 0.000) 5.877 1.617 ( 1.040 5.784 0.000) 5.877 1.740 ( -1.483 0.104 0.000) 1.487 1.740 ( 1.483 0.104 0.000) 1.487 1.787 ( -3.942 -2.682 0.000) 4.768 1.787 ( 3.942 -2.682 0.000) 4.768 2.066 ( -0.518 2.028 0.000) 2.093 2.066 ( 0.518 2.028 0.000) 2.093 2.087 ( -1.300 1.105 0.000) 1.706 2.087 ( 1.300 1.105 0.000) 1.706 2.136 ( -0.495 2.222 0.000) 2.276 2.136 ( 0.495 2.222 0.000) 2.276 2.181 ( -1.522 0.422 0.000) 1.579 2.181 ( 1.522 0.422 0.000) 1.579 2.309 ( -0.263 2.154 0.000) 2.170 2.309 ( 0.263 2.154 0.000) 2.170 2.407 ( -3.075 -0.012 0.000) 3.075 2.407 ( 3.075 -0.012 0.000) 3.075 2.519 ( -3.965 3.276 0.000) 5.143 2.519 ( 3.965 3.276 0.000) 5.143 2.701 ( -2.395 -6.661 0.000) 7.079 2.701 ( 2.395 -6.661 0.000) 7.079 2.992 ( -4.023 6.124 0.000) 7.327 2.992 ( 4.023 6.124 0.000) 7.327 3.144 ( -1.936 -0.193 0.000) 1.945 3.144 ( 1.936 -0.193 0.000) 1.945 3.329 ( -3.836 7.195 0.000) 8.154 3.329 ( 3.836 7.195 0.000) 8.154 3.356 ( -3.802 5.212 0.000) 6.451 3.356 ( 3.802 5.212 0.000) 6.451 3.760 ( -1.182 2.108 0.000) 2.417 3.760 ( 1.182 2.108 0.000) 2.417 3.825 ( -0.834 -1.115 0.000) 1.393 3.825 ( 0.834 -1.115 0.000) 1.393 4.888 ( -4.547 0.746 0.000) 4.607 4.888 ( 4.547 0.746 0.000) 4.607 4.901 ( -5.207 0.082 0.000) 5.208 4.901 ( 5.207 0.082 0.000) 5.208 5.154 ( -6.739 5.425 0.000) 8.651 5.154 ( 6.739 5.425 0.000) 8.651 5.207 ( -10.412 4.577 0.000) 11.374 5.207 ( 10.412 4.577 0.000) 11.374 5.381 ( -2.166 3.287 0.000) 3.936 5.381 ( 2.166 3.287 0.000) 3.936 5.464 ( -1.046 4.050 0.000) 4.183 5.464 ( 1.046 4.050 0.000) 4.183 5.602 ( -3.452 -8.001 0.000) 8.714 5.602 ( 3.452 -8.001 0.000) 8.714 5.722 ( -3.679 -7.274 0.000) 8.152 5.722 ( 3.679 -7.274 0.000) 8.152 6.636 ( -0.862 6.362 0.000) 6.420 6.636 ( 0.862 6.362 0.000) 6.420 6.698 ( -2.065 3.386 0.000) 3.966 6.698 ( 2.065 3.386 0.000) 3.966 7.160 ( -8.522 0.126 0.000) 8.522 7.160 ( 8.522 0.126 0.000) 8.522 7.257 ( -8.438 -4.765 0.000) 9.690 7.257 ( 8.438 -4.765 0.000) 9.690 7.569 ( -6.524 -1.368 0.000) 6.666 7.569 ( 6.524 -1.368 0.000) 6.666 7.588 ( -7.175 -1.900 0.000) 7.422 7.588 ( 7.175 -1.900 0.000) 7.422 8.533 ( -0.465 2.017 0.000) 2.070 8.533 ( 0.465 2.017 0.000) 2.070 8.550 ( -0.505 0.732 0.000) 0.889 8.550 ( 0.505 0.732 0.000) 0.889 ======================= Grid point 42 (25/56) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 -0.158 0.000) 0.158 1.491 ( 0.000 0.158 0.000) 0.158 1.542 ( 0.000 -2.746 0.000) 2.746 1.542 ( 0.000 2.746 0.000) 2.746 1.552 ( 0.000 -2.812 0.000) 2.812 1.552 ( 0.000 2.812 0.000) 2.812 1.630 ( 0.000 -1.926 0.000) 1.926 1.630 ( 0.000 1.926 0.000) 1.926 1.683 ( 0.000 -0.592 0.000) 0.592 1.683 ( 0.000 0.592 0.000) 0.592 1.823 ( 0.000 -1.342 0.000) 1.342 1.823 ( 0.000 1.342 0.000) 1.342 2.027 ( 0.000 -1.282 0.000) 1.282 2.027 ( 0.000 1.282 0.000) 1.282 2.119 ( 0.000 -3.008 0.000) 3.008 2.119 ( 0.000 3.008 0.000) 3.008 2.138 ( 0.000 -0.783 0.000) 0.783 2.138 ( 0.000 0.783 0.000) 0.783 2.269 ( 0.000 -8.454 0.000) 8.454 2.269 ( 0.000 8.454 0.000) 8.454 2.307 ( 0.000 -1.740 0.000) 1.740 2.307 ( 0.000 1.740 0.000) 1.740 2.418 ( 0.000 -3.749 0.000) 3.749 2.418 ( 0.000 3.749 0.000) 3.749 2.466 ( 0.000 -0.679 0.000) 0.679 2.466 ( 0.000 0.679 0.000) 0.679 2.670 ( 0.000 -1.365 0.000) 1.365 2.670 ( 0.000 1.365 0.000) 1.365 2.876 ( 0.000 -1.059 0.000) 1.059 2.876 ( 0.000 1.059 0.000) 1.059 3.077 ( 0.000 -2.014 0.000) 2.014 3.077 ( 0.000 2.014 0.000) 2.014 3.238 ( 0.000 -0.041 0.000) 0.041 3.238 ( 0.000 0.041 0.000) 0.041 3.629 ( 0.000 -1.624 0.000) 1.624 3.629 ( 0.000 1.624 0.000) 1.624 3.767 ( 0.000 -2.487 0.000) 2.487 3.767 ( 0.000 2.487 0.000) 2.487 3.845 ( 0.000 -1.669 0.000) 1.669 3.845 ( 0.000 1.669 0.000) 1.669 4.727 ( 0.000 -0.345 0.000) 0.345 4.727 ( 0.000 0.345 0.000) 0.345 4.812 ( 0.000 -0.741 0.000) 0.741 4.812 ( 0.000 0.741 0.000) 0.741 5.095 ( 0.000 -1.599 0.000) 1.599 5.095 ( 0.000 1.599 0.000) 1.599 5.371 ( 0.000 -0.550 0.000) 0.550 5.371 ( 0.000 0.550 0.000) 0.550 5.460 ( 0.000 -4.948 0.000) 4.948 5.460 ( 0.000 4.948 0.000) 4.948 5.507 ( 0.000 -0.607 0.000) 0.607 5.507 ( 0.000 0.607 0.000) 0.607 5.532 ( 0.000 -3.154 0.000) 3.154 5.532 ( 0.000 3.154 0.000) 3.154 5.902 ( 0.000 -1.774 0.000) 1.774 5.902 ( 0.000 1.774 0.000) 1.774 6.668 ( 0.000 -0.158 0.000) 0.158 6.668 ( 0.000 0.158 0.000) 0.158 6.762 ( 0.000 -1.555 0.000) 1.555 6.762 ( 0.000 1.555 0.000) 1.555 6.905 ( 0.000 -3.455 0.000) 3.455 6.905 ( 0.000 3.455 0.000) 3.455 7.369 ( 0.000 -1.029 0.000) 1.029 7.369 ( 0.000 1.029 0.000) 1.029 7.535 ( 0.000 -4.123 0.000) 4.123 7.535 ( 0.000 4.123 0.000) 4.123 7.937 ( 0.000 -1.970 0.000) 1.970 7.937 ( 0.000 1.970 0.000) 1.970 8.468 ( 0.000 -0.218 0.000) 0.218 8.468 ( 0.000 0.218 0.000) 0.218 8.540 ( 0.000 -0.853 0.000) 0.853 8.540 ( 0.000 0.853 0.000) 0.853 ======================= Grid point 44 (26/56) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -2.252 -0.364 0.000) 2.281 1.460 ( -2.252 0.364 0.000) 2.281 1.497 ( -3.287 -3.554 0.000) 4.841 1.497 ( -3.287 3.554 0.000) 4.841 1.586 ( 2.517 -3.086 0.000) 3.982 1.586 ( 2.517 3.086 0.000) 3.982 1.667 ( 2.459 -1.360 0.000) 2.810 1.667 ( 2.459 1.360 0.000) 2.810 1.689 ( 0.544 -0.446 0.000) 0.704 1.689 ( 0.544 0.446 0.000) 0.704 1.809 ( -1.609 -1.086 0.000) 1.941 1.809 ( -1.609 1.086 0.000) 1.941 2.034 ( 0.864 -1.109 0.000) 1.405 2.034 ( 0.864 1.109 0.000) 1.405 2.115 ( -0.384 -2.978 0.000) 3.003 2.115 ( -0.384 2.978 0.000) 3.003 2.148 ( 0.865 -1.018 0.000) 1.336 2.148 ( 0.865 1.018 0.000) 1.336 2.237 ( -2.507 -5.462 0.000) 6.010 2.237 ( -2.507 5.462 0.000) 6.010 2.320 ( 1.125 -1.469 0.000) 1.851 2.320 ( 1.125 1.469 0.000) 1.851 2.404 ( -1.085 -4.684 0.000) 4.808 2.404 ( -1.085 4.684 0.000) 4.808 2.487 ( 1.922 -2.940 0.000) 3.513 2.487 ( 1.922 2.940 0.000) 3.513 2.689 ( 0.590 -3.645 0.000) 3.692 2.689 ( 0.590 3.645 0.000) 3.692 2.886 ( 2.137 -0.941 0.000) 2.335 2.886 ( 2.137 0.941 0.000) 2.335 3.101 ( 2.155 -2.169 0.000) 3.057 3.101 ( 2.155 2.169 0.000) 3.057 3.271 ( 3.074 -0.895 0.000) 3.202 3.271 ( 3.074 0.895 0.000) 3.202 3.593 ( -3.722 -1.650 0.000) 4.071 3.593 ( -3.722 1.650 0.000) 4.071 3.770 ( 0.359 -2.333 0.000) 2.361 3.770 ( 0.359 2.333 0.000) 2.361 3.838 ( -0.762 -1.642 0.000) 1.810 3.838 ( -0.762 1.642 0.000) 1.810 4.750 ( 2.340 -0.706 0.000) 2.444 4.750 ( 2.340 0.706 0.000) 2.444 4.869 ( 6.099 -0.770 0.000) 6.147 4.869 ( 6.099 0.770 0.000) 6.147 5.068 ( -2.788 -1.407 0.000) 3.123 5.068 ( -2.788 1.407 0.000) 3.123 5.355 ( -1.396 -2.149 0.000) 2.562 5.355 ( -1.396 2.149 0.000) 2.562 5.453 ( -0.679 -4.663 0.000) 4.712 5.453 ( -0.679 4.663 0.000) 4.712 5.518 ( 0.815 -1.435 0.000) 1.651 5.518 ( 0.815 1.435 0.000) 1.651 5.539 ( 0.765 -3.408 0.000) 3.493 5.539 ( 0.765 3.408 0.000) 3.493 5.837 ( -6.633 -2.174 0.000) 6.980 5.837 ( -6.633 2.174 0.000) 6.980 6.675 ( 0.711 -0.357 0.000) 0.796 6.675 ( 0.711 0.357 0.000) 0.796 6.760 ( -0.343 -2.130 0.000) 2.157 6.760 ( -0.343 2.130 0.000) 2.157 6.937 ( 3.535 -3.416 0.000) 4.916 6.937 ( 3.535 3.416 0.000) 4.916 7.379 ( 0.831 -1.178 0.000) 1.442 7.379 ( 0.831 1.179 0.000) 1.442 7.491 ( -4.155 -3.792 0.000) 5.626 7.491 ( -4.155 3.792 0.000) 5.626 7.864 ( -7.003 -1.567 0.000) 7.176 7.864 ( -7.003 1.567 0.000) 7.176 8.495 ( 2.334 -0.580 0.000) 2.405 8.495 ( 2.334 0.581 0.000) 2.405 8.546 ( 0.542 -0.827 0.000) 0.988 8.546 ( 0.542 0.827 0.000) 0.988 ======================= Grid point 46 (27/56) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.265 -1.819 0.000) 2.216 1.425 ( -1.265 1.819 0.000) 2.216 1.443 ( -2.231 -4.041 0.000) 4.616 1.443 ( -2.231 4.041 0.000) 4.616 1.633 ( 2.483 -2.004 0.000) 3.191 1.633 ( 2.483 2.004 0.000) 3.191 1.699 ( 0.819 -0.974 0.000) 1.272 1.699 ( 0.819 0.974 0.000) 1.272 1.702 ( 0.774 -1.031 0.000) 1.289 1.702 ( 0.774 1.031 0.000) 1.289 1.761 ( -3.332 -2.952 0.000) 4.451 1.761 ( -3.332 2.952 0.000) 4.451 2.060 ( 1.893 -0.471 0.000) 1.951 2.060 ( 1.893 0.471 0.000) 1.951 2.109 ( -0.222 -1.924 0.000) 1.936 2.109 ( -0.222 1.924 0.000) 1.936 2.163 ( 0.605 -0.644 0.000) 0.884 2.163 ( 0.605 0.644 0.000) 0.884 2.195 ( -1.825 -2.740 0.000) 3.292 2.195 ( -1.825 2.740 0.000) 3.292 2.346 ( 1.558 -2.122 0.000) 2.633 2.346 ( 1.558 2.122 0.000) 2.633 2.387 ( -0.677 -4.740 0.000) 4.788 2.387 ( -0.677 4.740 0.000) 4.788 2.531 ( 2.750 -5.017 0.000) 5.721 2.531 ( 2.750 5.017 0.000) 5.721 2.659 ( -3.269 -3.113 0.000) 4.514 2.659 ( -3.269 3.113 0.000) 4.514 2.977 ( 6.759 -3.920 0.000) 7.813 2.977 ( 6.759 3.920 0.000) 7.813 3.133 ( 0.509 -2.887 0.000) 2.931 3.133 ( 0.509 2.887 0.000) 2.931 3.336 ( 3.526 -1.124 0.000) 3.701 3.336 ( 3.526 1.124 0.000) 3.701 3.501 ( -5.599 -1.344 0.000) 5.758 3.501 ( -5.599 1.344 0.000) 5.758 3.780 ( 0.718 -1.994 0.000) 2.120 3.780 ( 0.718 1.994 0.000) 2.120 3.819 ( -1.169 -1.628 0.000) 2.004 3.819 ( -1.169 1.628 0.000) 2.004 4.811 ( 4.048 -0.342 0.000) 4.062 4.811 ( 4.048 0.342 0.000) 4.062 4.994 ( -4.854 -0.806 0.000) 4.921 4.994 ( -4.854 0.807 0.000) 4.921 5.032 ( 10.737 -0.528 0.000) 10.750 5.032 ( 10.737 0.528 0.000) 10.750 5.324 ( -2.197 -3.102 0.000) 3.801 5.324 ( -2.197 3.102 0.000) 3.801 5.441 ( -0.363 -4.409 0.000) 4.424 5.441 ( -0.363 4.409 0.000) 4.424 5.521 ( -1.128 -3.799 0.000) 3.962 5.521 ( -1.128 3.799 0.000) 3.963 5.558 ( 1.166 -4.401 0.000) 4.553 5.558 ( 1.166 4.401 0.000) 4.553 5.679 ( -8.760 -5.085 0.000) 10.129 5.679 ( -8.760 5.085 0.000) 10.129 6.693 ( 1.231 -0.977 0.000) 1.571 6.693 ( 1.231 0.977 0.000) 1.571 6.745 ( -1.196 -2.218 0.000) 2.520 6.745 ( -1.196 2.218 0.000) 2.520 7.037 ( 6.844 -2.930 0.000) 7.445 7.037 ( 6.844 2.930 0.000) 7.445 7.333 ( -6.865 -2.422 0.000) 7.279 7.333 ( -6.865 2.422 0.000) 7.279 7.464 ( 3.008 -0.914 0.000) 3.143 7.464 ( 3.008 0.914 0.000) 3.143 7.709 ( -8.650 -0.987 0.000) 8.706 7.709 ( -8.650 0.987 0.000) 8.706 8.536 ( 1.687 -0.575 0.000) 1.783 8.536 ( 1.687 0.575 0.000) 1.783 8.556 ( 0.350 -0.598 0.000) 0.693 8.556 ( 0.350 0.598 0.000) 0.693 ======================= Grid point 48 (28/56) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.485 -3.443 0.000) 3.477 1.417 ( 0.485 -3.443 0.000) 3.477 1.417 ( -0.485 3.443 0.000) 3.477 1.417 ( 0.485 3.443 0.000) 3.477 1.684 ( -2.777 -4.808 0.000) 5.552 1.684 ( 2.777 -4.808 0.000) 5.552 1.684 ( -2.777 4.808 0.000) 5.552 1.684 ( 2.777 4.808 0.000) 5.552 1.715 ( -0.791 -3.897 0.000) 3.977 1.715 ( 0.791 -3.897 0.000) 3.977 1.715 ( -0.791 3.897 0.000) 3.977 1.715 ( 0.791 3.897 0.000) 3.977 2.096 ( -1.459 -0.553 0.000) 1.560 2.096 ( -1.459 0.553 0.000) 1.560 2.096 ( 1.459 -0.553 0.000) 1.560 2.096 ( 1.459 0.553 0.000) 1.560 2.172 ( -0.608 -1.339 0.000) 1.471 2.172 ( 0.608 -1.339 0.000) 1.471 2.172 ( -0.608 1.339 0.000) 1.471 2.172 ( 0.608 1.339 0.000) 1.471 2.372 ( -1.095 -3.459 0.000) 3.628 2.372 ( 1.095 -3.459 0.000) 3.628 2.372 ( -1.095 3.459 0.000) 3.628 2.372 ( 1.095 3.459 0.000) 3.628 2.591 ( -3.603 -4.573 0.000) 5.822 2.591 ( 3.603 -4.573 0.000) 5.822 2.591 ( -3.603 4.573 0.000) 5.822 2.591 ( 3.603 4.573 0.000) 5.822 3.095 ( -4.743 -4.330 0.000) 6.422 3.095 ( 4.743 -4.330 0.000) 6.422 3.095 ( -4.743 4.330 0.000) 6.422 3.095 ( 4.743 4.330 0.000) 6.422 3.405 ( -4.233 -0.558 0.000) 4.270 3.405 ( -4.233 0.558 0.000) 4.270 3.405 ( 4.233 -0.558 0.000) 4.270 3.405 ( 4.233 0.558 0.000) 4.270 3.797 ( -1.062 -1.726 0.000) 2.027 3.797 ( 1.063 -1.726 0.000) 2.027 3.797 ( -1.062 1.726 0.000) 2.027 3.797 ( 1.063 1.726 0.000) 2.027 4.898 ( -5.101 -0.336 0.000) 5.112 4.898 ( -5.101 0.336 0.000) 5.112 4.898 ( 5.101 -0.336 0.000) 5.112 4.898 ( 5.101 0.336 0.000) 5.112 5.232 ( -8.747 -2.056 0.000) 8.985 5.232 ( -8.747 2.056 0.000) 8.985 5.232 ( 8.747 -2.056 0.000) 8.985 5.232 ( 8.747 2.056 0.000) 8.985 5.460 ( -3.184 -5.726 0.000) 6.552 5.460 ( 3.184 -5.727 0.000) 6.552 5.460 ( -3.184 5.727 0.000) 6.552 5.460 ( 3.184 5.727 0.000) 6.552 5.583 ( -1.862 -6.856 0.000) 7.105 5.583 ( 1.862 -6.856 0.000) 7.105 5.583 ( -1.862 6.856 0.000) 7.105 5.583 ( 1.862 6.856 0.000) 7.105 6.719 ( -1.465 -1.731 0.000) 2.268 6.719 ( 1.465 -1.731 0.000) 2.268 6.719 ( -1.465 1.731 0.000) 2.268 6.719 ( 1.465 1.731 0.000) 2.268 7.183 ( -8.359 -2.608 0.000) 8.756 7.183 ( -8.359 2.608 0.000) 8.756 7.183 ( 8.359 -2.608 0.000) 8.756 7.183 ( 8.359 2.608 0.000) 8.756 7.561 ( -6.823 -0.638 0.000) 6.853 7.561 ( -6.823 0.638 0.000) 6.853 7.561 ( 6.823 -0.638 0.000) 6.853 7.561 ( 6.823 0.638 0.000) 6.853 8.555 ( -0.462 -0.297 0.000) 0.549 8.555 ( 0.462 -0.297 0.000) 0.549 8.555 ( -0.462 0.297 0.000) 0.549 8.555 ( 0.462 0.297 0.000) 0.549 ======================= Grid point 91 (29/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 19.168) 19.168 0.407 ( 0.000 0.000 20.270) 20.270 0.693 ( 0.000 0.000 33.901) 33.901 0.734 ( 0.000 0.000 -16.725) 16.725 0.774 ( 0.000 0.000 -16.659) 16.659 1.238 ( 0.000 0.000 7.397) 7.397 1.286 ( 0.000 0.000 -24.894) 24.894 1.304 ( 0.000 0.000 9.092) 9.092 1.333 ( 0.000 0.000 -2.734) 2.734 1.451 ( 0.000 0.000 -5.359) 5.359 1.521 ( 0.000 0.000 2.618) 2.618 1.574 ( 0.000 0.000 -2.865) 2.865 1.623 ( 0.000 0.000 2.099) 2.099 1.669 ( 0.000 0.000 -2.123) 2.123 1.757 ( 0.000 0.000 1.178) 1.178 1.792 ( 0.000 0.000 -2.314) 2.314 1.832 ( 0.000 0.000 -0.333) 0.333 1.834 ( 0.000 0.000 -0.346) 0.346 1.905 ( 0.000 0.000 2.224) 2.224 1.942 ( 0.000 0.000 -1.396) 1.396 2.000 ( 0.000 0.000 3.057) 3.057 2.059 ( 0.000 0.000 -2.650) 2.650 2.091 ( 0.000 0.000 0.640) 0.640 2.116 ( 0.000 0.000 -2.156) 2.156 2.344 ( 0.000 0.000 0.167) 0.167 2.347 ( 0.000 0.000 -0.118) 0.118 2.351 ( 0.000 0.000 7.679) 7.679 2.405 ( 0.000 0.000 2.415) 2.415 2.511 ( 0.000 0.000 -3.842) 3.842 2.535 ( 0.000 0.000 -6.720) 6.720 2.877 ( 0.000 0.000 10.155) 10.155 3.034 ( 0.000 0.000 7.934) 7.934 3.042 ( 0.000 0.000 -4.803) 4.803 3.180 ( 0.000 0.000 -6.515) 6.515 3.420 ( 0.000 0.000 1.175) 1.175 3.448 ( 0.000 0.000 -1.465) 1.465 3.874 ( 0.000 0.000 -0.313) 0.313 3.883 ( 0.000 0.000 -1.023) 1.023 4.114 ( 0.000 0.000 0.985) 0.985 4.122 ( 0.000 0.000 0.186) 0.186 4.299 ( 0.000 0.000 0.355) 0.355 4.307 ( 0.000 0.000 -0.353) 0.353 4.559 ( 0.000 0.000 0.412) 0.412 4.568 ( 0.000 0.000 -0.413) 0.413 4.777 ( 0.000 0.000 0.118) 0.118 4.779 ( 0.000 0.000 -0.138) 0.138 4.911 ( 0.000 0.000 0.224) 0.224 4.916 ( 0.000 0.000 -0.203) 0.203 4.937 ( 0.000 0.000 1.706) 1.706 4.975 ( 0.000 0.000 -1.842) 1.842 5.465 ( 0.000 0.000 5.731) 5.731 5.615 ( 0.000 0.000 -8.939) 8.939 6.069 ( 0.000 0.000 0.949) 0.949 6.092 ( 0.000 0.000 -0.962) 0.962 6.161 ( 0.000 0.000 7.921) 7.921 6.306 ( 0.000 0.000 7.211) 7.211 6.311 ( 0.000 0.000 -6.949) 6.949 6.470 ( 0.000 0.000 -8.617) 8.617 6.690 ( 0.000 0.000 4.155) 4.155 6.751 ( 0.000 0.000 -2.034) 2.034 6.876 ( 0.000 0.000 0.515) 0.515 6.887 ( 0.000 0.000 -0.565) 0.565 6.964 ( 0.000 0.000 9.900) 9.900 7.085 ( 0.000 0.000 0.448) 0.448 7.094 ( 0.000 0.000 -0.397) 0.397 7.174 ( 0.000 0.000 -10.300) 10.300 7.995 ( 0.000 0.000 6.987) 6.987 8.124 ( 0.000 0.000 -5.383) 5.383 8.435 ( 0.000 0.000 0.996) 0.996 8.452 ( 0.000 0.000 -0.616) 0.616 8.572 ( 0.000 0.000 0.504) 0.504 8.582 ( 0.000 0.000 -0.473) 0.473 ======================= Grid point 92 (30/56) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 11.545 0.000 13.550) 17.802 0.557 ( 14.814 0.000 12.077) 19.113 0.809 ( 4.213 0.000 -16.605) 17.131 0.816 ( 7.703 0.000 -13.456) 15.505 0.964 ( 22.188 0.000 23.445) 32.280 1.253 ( 1.396 0.000 6.133) 6.290 1.286 ( 4.504 0.000 2.346) 5.078 1.334 ( -0.002 0.000 -2.403) 2.403 1.455 ( -0.960 0.000 -0.786) 1.241 1.478 ( 8.291 0.000 -9.806) 12.841 1.499 ( 1.310 0.000 -2.654) 2.959 1.548 ( -3.806 0.000 -5.325) 6.545 1.629 ( 0.353 0.000 1.919) 1.952 1.674 ( 0.016 0.000 -2.450) 2.450 1.760 ( 0.774 0.000 2.124) 2.261 1.781 ( -0.567 0.000 2.841) 2.897 1.801 ( 0.824 0.000 -1.968) 2.134 1.839 ( 0.982 0.000 -2.583) 2.763 1.911 ( 0.791 0.000 1.815) 1.980 1.947 ( 0.891 0.000 -1.649) 1.874 2.033 ( -2.016 0.000 0.221) 2.028 2.048 ( 0.529 0.000 -1.749) 1.827 2.125 ( 1.618 0.000 1.442) 2.167 2.141 ( 2.619 0.000 -0.225) 2.628 2.305 ( -3.814 0.000 0.757) 3.888 2.320 ( -3.033 0.000 -0.622) 3.096 2.332 ( 1.815 0.000 2.985) 3.494 2.420 ( -1.347 0.000 -4.876) 5.059 2.484 ( 2.501 0.000 5.222) 5.790 2.619 ( 3.451 0.000 -7.100) 7.894 2.875 ( -0.897 0.000 9.209) 9.253 2.977 ( -4.275 0.000 5.393) 6.882 3.039 ( -1.493 0.000 -1.045) 1.822 3.141 ( -4.273 0.000 -6.704) 7.950 3.353 ( -5.224 0.000 4.127) 6.658 3.391 ( -5.129 0.000 -0.621) 5.167 3.728 ( -3.157 0.000 7.244) 7.902 3.883 ( -4.925 0.000 -8.000) 9.395 4.074 ( -4.121 0.000 1.419) 4.359 4.099 ( -3.576 0.000 -0.612) 3.628 4.317 ( 1.826 0.000 0.360) 1.862 4.325 ( 1.840 0.000 -0.359) 1.875 4.541 ( -1.854 0.000 0.460) 1.910 4.551 ( -1.781 0.000 -0.468) 1.841 4.785 ( 0.880 0.000 0.076) 0.884 4.787 ( 0.788 0.000 -0.082) 0.792 4.904 ( -0.765 0.000 0.193) 0.789 4.908 ( -0.824 0.000 -0.179) 0.843 4.980 ( 1.274 0.000 -0.352) 1.322 5.000 ( 2.271 0.000 -2.043) 3.054 5.314 ( -11.919 0.000 5.118) 12.971 5.428 ( -12.070 0.000 -5.372) 13.211 6.075 ( 5.358 0.000 8.102) 9.713 6.173 ( 6.015 0.000 -2.193) 6.402 6.304 ( 1.527 0.000 4.221) 4.488 6.325 ( 3.552 0.000 2.103) 4.127 6.389 ( 6.589 0.000 -6.576) 9.309 6.473 ( 0.692 0.000 -8.290) 8.319 6.627 ( -3.014 0.000 6.336) 7.016 6.695 ( -2.332 0.000 0.038) 2.332 6.876 ( 0.042 0.000 0.448) 0.450 6.886 ( -0.120 0.000 -0.486) 0.500 7.085 ( -0.005 0.000 0.385) 0.385 7.093 ( -0.131 0.000 -0.347) 0.370 7.229 ( 14.871 0.000 -6.752) 16.332 7.272 ( 8.590 0.000 -6.977) 11.067 7.934 ( -5.000 0.000 8.398) 9.774 8.052 ( -6.405 0.000 -3.476) 7.288 8.402 ( -0.390 0.000 5.305) 5.320 8.454 ( 0.249 0.000 -0.928) 0.961 8.579 ( 0.042 0.000 0.452) 0.454 8.592 ( 0.520 0.000 -0.616) 0.806 ======================= Grid point 93 (31/56) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 16.527 0.000 4.650) 17.169 0.834 ( 13.067 0.000 5.675) 14.246 0.943 ( 9.815 0.000 -11.174) 14.872 0.965 ( 6.502 0.000 -6.945) 9.513 1.279 ( 1.229 0.000 3.100) 3.335 1.310 ( -7.670 0.000 2.988) 8.232 1.328 ( -0.792 0.000 -1.745) 1.916 1.372 ( -4.434 0.000 1.907) 4.827 1.388 ( 10.172 0.000 6.077) 11.849 1.420 ( 7.774 0.000 4.167) 8.820 1.557 ( 3.530 0.000 0.401) 3.553 1.626 ( -0.524 0.000 1.168) 1.280 1.653 ( -1.986 0.000 -1.328) 2.389 1.667 ( 5.241 0.000 -8.218) 9.747 1.792 ( 1.842 0.000 1.307) 2.259 1.812 ( 0.214 0.000 -0.686) 0.719 1.836 ( 4.830 0.000 2.031) 5.240 1.893 ( 4.186 0.000 -2.876) 5.078 1.948 ( 3.748 0.000 1.808) 4.161 1.970 ( -3.603 0.000 1.643) 3.960 1.995 ( 4.308 0.000 -2.576) 5.019 2.026 ( -2.432 0.000 -4.555) 5.163 2.119 ( -0.130 0.000 3.231) 3.233 2.184 ( 2.260 0.000 -1.865) 2.930 2.208 ( -6.211 0.000 1.697) 6.438 2.238 ( -5.479 0.000 -1.166) 5.601 2.413 ( 3.122 0.000 -0.181) 3.128 2.467 ( 4.400 0.000 -3.738) 5.773 2.511 ( 1.468 0.000 3.855) 4.125 2.625 ( -1.715 0.000 -6.148) 6.383 2.815 ( -4.628 0.000 9.449) 10.522 2.927 ( -1.122 0.000 2.721) 2.943 2.998 ( -2.744 0.000 -1.244) 3.013 3.012 ( -8.219 0.000 -2.909) 8.719 3.282 ( -2.030 0.000 1.767) 2.691 3.302 ( -3.573 0.000 -0.082) 3.574 3.730 ( 1.969 0.000 2.063) 2.852 3.797 ( -3.005 0.000 -3.985) 4.991 3.978 ( -5.221 0.000 1.158) 5.347 4.001 ( -5.971 0.000 -0.599) 6.001 4.365 ( 3.133 0.000 0.383) 3.156 4.373 ( 3.177 0.000 -0.384) 3.200 4.493 ( -3.098 0.000 0.481) 3.135 4.503 ( -3.125 0.000 -0.492) 3.164 4.806 ( 1.129 0.000 0.002) 1.129 4.806 ( 1.190 0.000 0.009) 1.191 4.885 ( -1.101 0.000 0.119) 1.108 4.888 ( -1.196 0.000 -0.118) 1.202 4.972 ( -1.173 0.000 1.952) 2.277 5.023 ( -0.839 0.000 -1.383) 1.618 5.132 ( -5.212 0.000 3.534) 6.297 5.245 ( -7.540 0.000 -5.860) 9.549 6.184 ( 5.065 0.000 3.846) 6.359 6.257 ( 2.106 0.000 -3.255) 3.877 6.337 ( 2.944 0.000 5.020) 5.820 6.393 ( 3.097 0.000 4.310) 5.307 6.454 ( 1.539 0.000 -5.453) 5.666 6.506 ( 1.616 0.000 -6.178) 6.386 6.601 ( -0.215 0.000 4.443) 4.448 6.657 ( -1.944 0.000 -0.610) 2.037 6.878 ( 0.102 0.000 0.262) 0.281 6.883 ( -0.176 0.000 -0.276) 0.327 7.085 ( 0.040 0.000 0.218) 0.222 7.090 ( -0.178 0.000 -0.204) 0.271 7.423 ( 7.007 0.000 -4.418) 8.284 7.432 ( 6.731 0.000 -6.360) 9.261 7.854 ( -2.873 0.000 7.222) 7.772 7.930 ( -6.037 0.000 -0.501) 6.058 8.422 ( 1.814 0.000 3.554) 3.990 8.460 ( 0.249 0.000 -0.425) 0.492 8.575 ( -0.296 0.000 0.279) 0.407 8.591 ( -0.607 0.000 -1.079) 1.238 ======================= Grid point 94 (32/56) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -3.725 0.000 0.261) 3.735 1.001 ( 3.725 0.000 0.261) 3.735 1.071 ( -13.022 0.000 1.347) 13.091 1.071 ( 13.022 0.000 1.347) 13.091 1.163 ( -10.457 0.000 -4.760) 11.489 1.163 ( 10.457 0.000 -4.760) 11.489 1.304 ( -1.528 0.000 -0.378) 1.574 1.304 ( 1.528 0.000 -0.378) 1.574 1.531 ( -2.905 0.000 2.428) 3.786 1.531 ( 2.905 0.000 2.428) 3.786 1.623 ( -0.647 0.000 0.132) 0.660 1.623 ( 0.647 0.000 0.132) 0.660 1.659 ( -5.551 0.000 1.218) 5.683 1.659 ( 5.551 0.000 1.218) 5.683 1.811 ( -0.372 0.000 -0.007) 0.372 1.811 ( 0.372 0.000 -0.007) 0.372 1.902 ( -2.304 0.000 2.164) 3.161 1.902 ( 2.304 0.000 2.164) 3.161 1.978 ( -2.656 0.000 -4.287) 5.044 1.978 ( 2.656 0.000 -4.287) 5.044 2.043 ( -3.935 0.000 0.082) 3.936 2.043 ( 3.935 0.000 0.082) 3.936 2.136 ( -3.260 0.000 -0.064) 3.261 2.136 ( 3.260 0.000 -0.064) 3.261 2.178 ( -5.623 0.000 5.573) 7.916 2.178 ( 5.623 0.000 5.573) 7.916 2.433 ( -5.080 0.000 -6.143) 7.971 2.433 ( 5.080 0.000 -6.143) 7.971 2.607 ( -4.529 0.000 -0.113) 4.530 2.607 ( 4.529 0.000 -0.113) 4.530 2.809 ( -7.111 0.000 -0.201) 7.114 2.809 ( 7.111 0.000 -0.201) 7.114 2.965 ( -1.642 0.000 3.038) 3.454 2.965 ( 1.642 0.000 3.038) 3.454 3.267 ( -0.329 0.000 -0.417) 0.531 3.267 ( 0.329 0.000 -0.417) 0.531 3.768 ( -1.354 0.000 -0.546) 1.460 3.768 ( 1.354 0.000 -0.546) 1.460 3.923 ( -0.738 0.000 0.360) 0.821 3.923 ( 0.738 0.000 0.360) 0.821 4.429 ( -3.567 0.000 0.433) 3.593 4.429 ( 3.567 0.000 0.433) 3.593 4.438 ( -3.638 0.000 -0.438) 3.664 4.438 ( 3.638 0.000 -0.438) 3.664 4.821 ( -0.024 0.000 0.009) 0.026 4.821 ( 0.024 0.000 0.009) 0.026 4.872 ( -0.089 0.000 -0.004) 0.089 4.872 ( 0.089 0.000 -0.004) 0.089 4.974 ( -1.997 0.000 3.802) 4.294 4.974 ( 1.997 0.000 3.802) 4.294 5.139 ( -3.814 0.000 -4.466) 5.873 5.139 ( 3.814 0.000 -4.466) 5.873 6.251 ( -2.126 0.000 0.241) 2.140 6.251 ( 2.126 0.000 0.241) 2.140 6.400 ( -2.450 0.000 3.939) 4.639 6.400 ( 2.450 0.000 3.939) 4.639 6.495 ( -2.434 0.000 -4.071) 4.743 6.495 ( 2.434 0.000 -4.071) 4.743 6.619 ( -1.877 0.000 0.607) 1.973 6.619 ( 1.877 0.000 0.607) 1.973 6.880 ( -0.160 0.000 -0.001) 0.160 6.880 ( 0.160 0.000 -0.001) 0.160 7.087 ( -0.126 0.000 0.001) 0.126 7.087 ( 0.126 0.000 0.001) 0.126 7.496 ( -0.307 0.000 -4.554) 4.564 7.496 ( 0.307 0.000 -4.554) 4.564 7.845 ( -2.303 0.000 3.473) 4.167 7.845 ( 2.303 0.000 3.473) 4.167 8.453 ( -1.143 0.000 1.332) 1.755 8.453 ( 1.143 0.000 1.332) 1.755 8.577 ( -0.591 0.000 -0.677) 0.899 8.577 ( 0.591 0.000 -0.677) 0.899 ======================= Grid point 98 (33/56) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 12.432 13.281) 18.192 0.578 ( 0.000 14.644 12.741) 19.410 0.809 ( 0.000 7.056 -13.607) 15.328 0.854 ( 0.000 8.223 -13.002) 15.384 0.962 ( 0.000 22.607 21.502) 31.199 1.270 ( 0.000 3.393 6.343) 7.194 1.305 ( 0.000 0.646 7.569) 7.597 1.371 ( 0.000 3.170 -2.308) 3.921 1.402 ( 0.000 9.929 -19.241) 21.652 1.443 ( 0.000 -0.180 -4.412) 4.415 1.518 ( 0.000 0.240 2.873) 2.883 1.579 ( 0.000 0.780 -3.448) 3.535 1.726 ( 0.000 3.132 1.033) 3.298 1.759 ( 0.000 11.266 0.126) 11.267 1.772 ( 0.000 3.643 -1.565) 3.965 1.801 ( 0.000 4.331 -1.638) 4.631 1.902 ( 0.000 5.255 1.865) 5.577 1.919 ( 0.000 3.379 0.122) 3.382 1.954 ( 0.000 9.313 0.500) 9.326 1.978 ( 0.000 5.314 -1.730) 5.588 2.076 ( 0.000 3.845 -0.346) 3.861 2.083 ( 0.000 2.007 -1.313) 2.399 2.102 ( 0.000 3.474 1.251) 3.693 2.129 ( 0.000 1.341 -1.786) 2.233 2.331 ( 0.000 -0.271 1.790) 1.810 2.343 ( 0.000 1.195 4.329) 4.491 2.381 ( 0.000 1.818 1.453) 2.327 2.457 ( 0.000 4.663 1.742) 4.977 2.516 ( 0.000 -0.608 -7.378) 7.403 2.523 ( 0.000 2.041 -3.517) 4.066 2.863 ( 0.000 -1.315 9.967) 10.053 3.015 ( 0.000 -1.974 7.188) 7.454 3.018 ( 0.000 -1.916 -4.323) 4.729 3.143 ( 0.000 -3.444 -5.469) 6.463 3.338 ( 0.000 -6.703 4.176) 7.897 3.388 ( 0.000 -5.953 -1.717) 6.196 3.655 ( 0.000 -6.480 4.324) 7.790 3.728 ( 0.000 -8.747 -2.855) 9.202 4.055 ( 0.000 -5.363 0.557) 5.392 4.058 ( 0.000 -4.513 0.316) 4.524 4.524 ( 0.000 15.367 0.276) 15.369 4.540 ( 0.000 12.856 -1.472) 12.940 4.594 ( 0.000 3.114 0.211) 3.121 4.597 ( 0.000 2.697 -0.066) 2.698 4.842 ( 0.000 4.545 1.013) 4.657 4.891 ( 0.000 4.345 -4.594) 6.323 4.928 ( 0.000 2.037 0.977) 2.259 4.942 ( 0.000 3.365 -0.473) 3.398 4.989 ( 0.000 4.157 0.739) 4.223 5.012 ( 0.000 2.490 -1.239) 2.781 5.488 ( 0.000 2.174 5.680) 6.081 5.629 ( 0.000 0.524 -7.873) 7.891 5.995 ( 0.000 -8.412 13.384) 15.808 6.108 ( 0.000 3.297 0.302) 3.310 6.123 ( 0.000 0.718 1.802) 1.939 6.245 ( 0.000 -5.723 -9.791) 11.341 6.283 ( 0.000 -0.980 1.605) 1.881 6.357 ( 0.000 -9.992 -4.402) 10.919 6.467 ( 0.000 -6.057 4.071) 7.298 6.510 ( 0.000 -7.880 -0.004) 7.880 6.921 ( 0.000 -0.700 8.748) 8.776 7.123 ( 0.000 11.024 3.106) 11.453 7.130 ( 0.000 -0.279 -11.461) 11.464 7.170 ( 0.000 7.437 -1.474) 7.582 7.289 ( 0.000 16.811 3.829) 17.241 7.458 ( 0.000 18.446 -14.230) 23.297 7.987 ( 0.000 -0.402 3.884) 3.905 8.095 ( 0.000 -2.897 -5.154) 5.912 8.412 ( 0.000 -2.240 1.082) 2.487 8.430 ( 0.000 -2.299 -0.511) 2.355 8.472 ( 0.000 -6.050 7.009) 9.259 8.546 ( 0.000 -3.048 -1.834) 3.557 ======================= Grid point 99 (34/56) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 6.260 11.031 12.445) 17.770 0.649 ( 10.881 9.049 10.807) 17.807 0.871 ( 4.887 6.128 -11.312) 13.762 0.873 ( 4.808 6.345 -13.996) 16.101 1.151 ( 14.427 14.963 15.145) 25.718 1.291 ( 1.244 3.622 4.578) 5.969 1.340 ( 4.070 3.305 5.782) 7.805 1.370 ( 0.627 3.384 -2.186) 4.077 1.452 ( -1.548 0.045 -0.240) 1.567 1.479 ( 2.892 1.208 -5.871) 6.656 1.512 ( 3.445 2.464 -5.109) 6.636 1.547 ( -3.661 0.879 -4.227) 5.661 1.747 ( 1.952 4.862 0.546) 5.268 1.765 ( 0.262 10.156 0.341) 10.165 1.785 ( 2.230 4.450 -0.850) 5.049 1.821 ( 0.330 6.936 -2.023) 7.233 1.854 ( 0.896 4.965 2.764) 5.753 1.917 ( -0.652 5.367 -2.446) 5.934 1.963 ( 1.621 4.823 1.333) 5.260 1.996 ( 0.177 7.086 -1.471) 7.239 2.045 ( -2.597 1.315 0.832) 3.028 2.081 ( -0.011 3.103 -3.576) 4.735 2.122 ( -0.683 -0.375 2.279) 2.409 2.158 ( 1.839 1.823 -1.154) 2.835 2.313 ( 0.698 2.063 0.797) 2.319 2.340 ( -2.253 2.714 -1.107) 3.697 2.383 ( 0.533 3.602 2.800) 4.593 2.451 ( -0.761 2.877 -3.473) 4.574 2.480 ( 2.339 0.982 4.656) 5.302 2.613 ( 3.255 -0.141 -7.274) 7.970 2.859 ( -0.569 -1.365 9.020) 9.140 2.960 ( -4.170 -1.694 4.768) 6.557 3.018 ( -1.231 -1.691 -0.920) 2.285 3.110 ( -3.720 -2.874 -5.850) 7.505 3.299 ( -3.184 -4.819 4.081) 7.072 3.345 ( -3.835 -4.450 -1.113) 5.980 3.666 ( 1.566 -3.431 3.151) 4.915 3.744 ( 0.747 -7.961 -4.043) 8.960 4.018 ( -3.907 -4.043 0.904) 5.694 4.028 ( -2.875 -4.973 -0.013) 5.744 4.494 ( -1.930 13.127 0.895) 13.298 4.520 ( -1.704 13.431 -1.657) 13.639 4.579 ( -1.522 3.476 0.320) 3.808 4.585 ( -1.374 3.225 -0.137) 3.508 4.846 ( 0.367 4.399 0.811) 4.488 4.864 ( -1.215 4.475 -0.777) 4.702 4.941 ( 0.010 3.329 -0.113) 3.330 4.949 ( 0.648 3.709 -1.135) 3.932 4.996 ( 0.044 2.143 0.341) 2.170 5.015 ( 0.365 1.147 -1.299) 1.771 5.348 ( -11.515 3.373 5.383) 13.151 5.468 ( -11.860 3.313 -5.885) 13.648 6.026 ( 4.986 -4.780 9.486) 11.735 6.166 ( 4.009 -1.593 -2.681) 5.079 6.269 ( 4.696 -5.181 2.138) 7.312 6.288 ( 2.248 -0.719 -0.207) 2.369 6.327 ( 7.909 -3.633 -5.053) 10.064 6.366 ( 0.999 -9.679 -4.671) 10.794 6.474 ( 1.444 -5.871 3.881) 7.185 6.514 ( 0.845 -7.420 0.120) 7.469 6.944 ( 1.563 1.079 6.557) 6.827 7.073 ( -2.883 8.582 -2.755) 9.463 7.165 ( 0.870 6.987 -1.700) 7.243 7.179 ( 1.013 6.038 -2.249) 6.523 7.339 ( 4.991 10.447 1.455) 11.669 7.470 ( 1.274 13.832 -11.560) 18.072 7.914 ( -5.935 -1.565 6.014) 8.593 8.017 ( -6.871 -3.399 -3.423) 8.395 8.381 ( 0.300 -1.889 5.195) 5.536 8.434 ( 0.420 -1.871 -1.020) 2.171 8.535 ( 2.647 -3.419 1.336) 4.525 8.564 ( 1.208 -2.418 -1.238) 2.973 ======================= Grid point 100 (35/56) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 13.261 3.993 5.744) 14.993 0.891 ( 13.129 5.294 5.997) 15.374 0.986 ( 8.946 4.110 -9.852) 13.928 1.031 ( 8.621 5.889 -6.068) 12.076 1.280 ( -1.534 0.956 1.573) 2.396 1.292 ( -3.389 -0.392 -0.216) 3.418 1.360 ( -5.007 2.324 0.952) 5.602 1.407 ( -4.992 3.407 -0.254) 6.049 1.440 ( 3.962 2.539 2.469) 5.314 1.468 ( 5.584 6.229 4.517) 9.507 1.533 ( 2.295 -0.724 -0.300) 2.425 1.573 ( 0.174 -1.894 -2.032) 2.783 1.760 ( 0.522 7.907 0.363) 7.932 1.775 ( 0.806 5.510 -1.160) 5.688 1.848 ( 2.515 6.333 1.045) 6.894 1.873 ( 5.293 6.715 -0.881) 8.595 1.904 ( 0.482 5.503 1.114) 5.635 1.936 ( 3.898 4.661 -0.696) 6.116 1.976 ( -2.559 1.325 2.533) 3.836 2.013 ( 1.221 5.602 0.309) 5.742 2.023 ( 4.234 3.968 -1.369) 5.962 2.064 ( -1.997 3.915 -4.586) 6.352 2.107 ( 0.593 -0.258 3.003) 3.072 2.179 ( 1.950 0.917 -2.086) 2.999 2.271 ( -3.272 4.973 -0.200) 5.956 2.277 ( -4.793 4.093 -0.989) 6.380 2.447 ( 1.755 2.736 1.064) 3.420 2.490 ( 3.581 0.612 1.300) 3.859 2.532 ( 3.752 4.132 -1.893) 5.893 2.618 ( -1.330 -0.354 -5.945) 6.102 2.818 ( -3.859 0.516 8.588) 9.429 2.905 ( -0.855 -1.935 3.103) 3.756 2.984 ( -2.068 -1.382 0.059) 2.488 2.997 ( -7.467 -0.927 -4.479) 8.757 3.253 ( -1.427 -2.917 1.770) 3.698 3.277 ( -2.906 -2.368 -0.570) 3.792 3.708 ( 2.527 -1.722 1.114) 3.255 3.749 ( 0.014 -3.763 -2.601) 4.575 3.935 ( -4.057 -2.975 1.308) 5.198 3.956 ( -4.335 -3.405 -0.561) 5.540 4.477 ( 0.279 9.751 0.868) 9.794 4.499 ( -0.195 10.559 -1.194) 10.628 4.541 ( -2.329 4.499 0.406) 5.082 4.550 ( -2.144 4.402 -0.353) 4.909 4.851 ( -0.084 3.287 0.260) 3.298 4.854 ( 0.106 3.682 0.053) 3.684 4.939 ( -0.025 4.039 0.657) 4.092 4.953 ( -0.146 5.919 -0.622) 5.954 4.980 ( -1.011 1.758 1.735) 2.669 5.028 ( 0.293 0.599 -2.104) 2.208 5.159 ( -6.726 3.194 4.523) 8.712 5.273 ( -8.547 2.878 -5.658) 10.646 6.130 ( 5.016 -5.195 4.693) 8.612 6.213 ( 0.805 -4.580 -2.822) 5.440 6.307 ( 2.336 -2.706 2.280) 4.240 6.356 ( 1.931 -3.506 1.949) 4.452 6.384 ( 1.624 -6.844 -4.588) 8.398 6.415 ( 1.233 -6.998 -2.985) 7.707 6.538 ( 4.021 -3.846 2.185) 5.977 6.549 ( 2.575 -4.347 1.381) 5.237 6.961 ( 0.347 4.674 2.251) 5.200 7.018 ( -2.853 8.419 -2.270) 9.175 7.179 ( 0.694 8.041 0.208) 8.073 7.191 ( 0.228 8.560 -0.619) 8.585 7.446 ( 5.471 2.956 -1.817) 6.479 7.502 ( 1.747 6.110 -6.840) 9.336 7.818 ( -3.534 -3.382 6.036) 7.770 7.887 ( -6.330 -4.175 -0.615) 7.608 8.409 ( 2.037 -1.153 3.107) 3.891 8.445 ( 0.477 -1.442 -0.533) 1.610 8.559 ( 0.360 -1.471 0.348) 1.554 8.574 ( -0.170 -1.505 -1.014) 1.823 ======================= Grid point 101 (36/56) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -5.815 2.600 0.041) 6.370 1.014 ( 5.815 2.600 0.041) 6.370 1.141 ( -6.423 4.684 3.011) 8.500 1.141 ( 6.423 4.684 3.011) 8.500 1.200 ( -8.730 3.358 -4.234) 10.267 1.200 ( 8.730 3.358 -4.234) 10.267 1.305 ( -2.986 0.116 -2.363) 3.810 1.305 ( 2.986 0.116 -2.363) 3.810 1.519 ( -2.007 0.077 2.214) 2.989 1.519 ( 2.007 0.077 2.214) 2.989 1.553 ( -1.247 -0.260 1.275) 1.803 1.553 ( 1.247 -0.260 1.275) 1.803 1.777 ( -0.647 5.450 -0.925) 5.566 1.777 ( 0.647 5.450 -0.925) 5.566 1.889 ( -1.677 6.160 1.304) 6.516 1.889 ( 1.677 6.160 1.304) 6.516 1.933 ( -1.624 3.670 1.906) 4.443 1.933 ( 1.624 3.670 1.906) 4.443 2.001 ( -2.763 2.599 -3.389) 5.087 2.001 ( 2.763 2.599 -3.389) 5.087 2.073 ( -2.023 2.913 -0.560) 3.590 2.073 ( 2.023 2.913 -0.560) 3.590 2.170 ( -1.165 3.339 0.913) 3.653 2.170 ( 1.165 3.339 0.913) 3.653 2.232 ( -5.377 5.781 4.718) 9.197 2.232 ( 5.377 5.781 4.718) 9.197 2.458 ( -5.063 2.147 -5.775) 7.975 2.458 ( 5.063 2.147 -5.775) 7.975 2.617 ( -3.871 1.453 -0.277) 4.144 2.617 ( 3.871 1.453 -0.277) 4.144 2.816 ( -6.256 0.789 -0.292) 6.312 2.816 ( 6.256 0.789 -0.292) 6.312 2.951 ( -1.740 -0.960 2.618) 3.287 2.951 ( 1.740 -0.960 2.618) 3.287 3.244 ( -0.549 -2.122 -0.295) 2.211 3.244 ( 0.549 -2.122 -0.295) 2.211 3.744 ( -0.960 -1.980 -0.429) 2.242 3.744 ( 0.960 -1.980 -0.429) 2.242 3.898 ( -0.783 -1.987 0.352) 2.165 3.898 ( 0.783 -1.987 0.352) 2.165 4.499 ( -1.893 6.565 0.562) 6.856 4.499 ( 1.893 6.565 0.562) 6.856 4.513 ( -1.525 6.854 -0.680) 7.054 4.513 ( 1.525 6.854 -0.680) 7.054 4.852 ( -0.220 2.698 -0.141) 2.710 4.852 ( 0.220 2.698 -0.141) 2.710 4.945 ( -0.533 5.554 0.550) 5.607 4.945 ( 0.533 5.554 0.550) 5.607 4.991 ( -2.515 2.701 3.144) 4.848 4.991 ( 2.515 2.701 3.144) 4.848 5.150 ( -4.327 1.550 -3.962) 6.068 5.150 ( 4.327 1.550 -3.962) 6.068 6.199 ( -2.240 -5.132 0.794) 5.656 6.199 ( 2.240 -5.132 0.794) 5.656 6.352 ( -1.822 -4.188 1.370) 4.768 6.352 ( 1.822 -4.188 1.370) 4.768 6.414 ( -1.047 -6.861 -3.000) 7.561 6.414 ( 1.047 -6.861 -3.000) 7.561 6.580 ( -0.206 -2.257 2.143) 3.119 6.580 ( 0.206 -2.257 2.143) 3.119 6.974 ( -1.500 6.829 -0.996) 7.063 6.974 ( 1.500 6.829 -0.996) 7.063 7.189 ( -0.366 8.994 0.313) 9.007 7.189 ( 0.366 8.994 0.313) 9.007 7.514 ( -1.216 1.830 -4.003) 4.567 7.514 ( 1.216 1.830 -4.003) 4.567 7.801 ( -2.081 -4.246 3.069) 5.637 7.801 ( 2.081 -4.246 3.069) 5.637 8.441 ( -1.050 -1.069 1.047) 1.828 8.441 ( 1.050 -1.069 1.047) 1.828 8.565 ( -0.525 -1.111 -0.506) 1.329 8.565 ( 0.525 -1.111 -0.506) 1.329 ======================= Grid point 105 (37/56) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.000 14.862 6.786) 16.338 0.880 ( 0.000 15.314 3.861) 15.793 0.988 ( 0.000 11.394 -6.423) 13.079 1.046 ( 0.000 10.980 -7.787) 13.460 1.333 ( 0.000 4.646 6.747) 8.192 1.350 ( 0.000 4.513 2.383) 5.103 1.376 ( 0.000 13.133 6.392) 14.606 1.438 ( 0.000 4.457 0.359) 4.472 1.459 ( 0.000 2.077 -1.909) 2.821 1.534 ( 0.000 1.318 2.930) 3.213 1.560 ( 0.000 5.145 -7.132) 8.794 1.601 ( 0.000 1.382 -4.644) 4.845 1.835 ( 0.000 7.437 1.714) 7.632 1.892 ( 0.000 6.625 -3.420) 7.456 1.913 ( 0.000 9.534 3.632) 10.203 1.972 ( 0.000 8.491 -0.401) 8.501 1.991 ( 0.000 5.465 1.098) 5.574 2.024 ( 0.000 4.862 -2.005) 5.259 2.105 ( 0.000 4.320 1.465) 4.561 2.126 ( 0.000 1.229 1.291) 1.782 2.127 ( 0.000 3.847 0.705) 3.911 2.159 ( 0.000 6.908 -4.551) 8.272 2.208 ( 0.000 12.485 -1.608) 12.588 2.244 ( 0.000 8.747 -3.082) 9.274 2.379 ( 0.000 6.596 2.280) 6.979 2.410 ( 0.000 6.196 4.728) 7.794 2.431 ( 0.000 4.680 -1.536) 4.925 2.533 ( 0.000 4.098 -4.097) 5.795 2.588 ( 0.000 8.333 -1.660) 8.497 2.608 ( 0.000 6.524 -1.711) 6.745 2.839 ( 0.000 -0.412 9.649) 9.658 2.965 ( 0.000 -2.964 4.928) 5.751 2.983 ( 0.000 -1.642 -4.108) 4.424 3.056 ( 0.000 -5.423 -3.986) 6.731 3.189 ( 0.000 -8.813 2.864) 9.267 3.238 ( 0.000 -9.039 -1.967) 9.251 3.610 ( 0.000 0.442 0.548) 0.705 3.628 ( 0.000 -2.022 -1.047) 2.277 3.959 ( 0.000 -4.154 0.871) 4.245 3.973 ( 0.000 -4.019 -0.366) 4.035 4.653 ( 0.000 3.129 0.394) 3.154 4.660 ( 0.000 3.562 -0.260) 3.571 4.789 ( 0.000 12.695 1.039) 12.737 4.803 ( 0.000 12.634 -0.170) 12.635 4.903 ( 0.000 1.447 1.004) 1.761 4.935 ( 0.000 0.862 -2.246) 2.406 4.988 ( 0.000 4.181 0.607) 4.225 5.008 ( 0.000 1.012 -1.051) 1.459 5.046 ( 0.000 3.767 1.310) 3.988 5.073 ( 0.000 4.618 -1.366) 4.816 5.533 ( 0.000 2.017 4.315) 4.763 5.619 ( 0.000 -1.496 -3.667) 3.961 5.907 ( 0.000 -1.657 8.597) 8.755 6.068 ( 0.000 -6.215 2.267) 6.616 6.089 ( 0.000 -5.538 -8.293) 9.972 6.115 ( 0.000 -10.613 -2.430) 10.888 6.266 ( 0.000 4.532 0.111) 4.533 6.296 ( 0.000 1.452 -2.092) 2.546 6.426 ( 0.000 -0.986 2.373) 2.570 6.446 ( 0.000 3.612 -0.071) 3.613 6.901 ( 0.000 -1.241 8.322) 8.414 7.096 ( 0.000 -2.457 -10.471) 10.755 7.312 ( 0.000 7.911 0.857) 7.957 7.327 ( 0.000 7.079 -0.493) 7.096 7.589 ( 0.000 13.191 3.220) 13.578 7.642 ( 0.000 2.910 -0.102) 2.912 8.007 ( 0.000 2.983 -4.239) 5.183 8.024 ( 0.000 -3.922 -3.253) 5.096 8.358 ( 0.000 -2.970 0.923) 3.110 8.366 ( 0.000 -3.528 1.994) 4.053 8.406 ( 0.000 -1.406 4.879) 5.078 8.494 ( 0.000 -1.871 -2.912) 3.461 ======================= Grid point 106 (38/56) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 4.590 13.245 6.922) 15.634 0.886 ( 2.342 15.071 7.422) 16.962 1.028 ( 4.843 9.870 -8.143) 13.681 1.053 ( 1.380 11.293 -8.141) 13.990 1.346 ( 1.237 3.889 2.575) 4.825 1.381 ( 2.126 5.077 5.856) 8.037 1.389 ( -0.781 2.814 -2.490) 3.838 1.470 ( 1.017 3.254 1.482) 3.717 1.482 ( 3.377 5.793 0.812) 6.755 1.514 ( -0.357 2.577 -0.222) 2.611 1.569 ( -0.230 2.680 -1.929) 3.310 1.589 ( -0.481 2.932 -2.630) 3.968 1.849 ( 0.523 5.115 1.575) 5.378 1.897 ( -0.165 5.021 -2.827) 5.765 1.949 ( 3.747 11.348 3.062) 12.337 1.974 ( 0.002 6.087 1.346) 6.235 1.997 ( -0.227 4.678 -0.890) 4.767 2.014 ( 1.057 6.289 -1.524) 6.557 2.085 ( -2.542 4.126 2.491) 5.449 2.100 ( 0.311 5.270 2.802) 5.977 2.127 ( -0.787 3.693 -0.911) 3.884 2.170 ( 0.858 7.055 -3.228) 7.806 2.222 ( -0.518 9.748 -2.369) 10.045 2.229 ( -0.404 9.980 -2.636) 10.330 2.394 ( 1.922 5.945 0.468) 6.265 2.422 ( -0.887 5.062 -0.857) 5.210 2.452 ( 3.155 5.619 3.553) 7.359 2.503 ( -2.703 3.861 -0.018) 4.714 2.581 ( 1.123 7.907 -0.688) 8.016 2.645 ( 1.806 4.258 -6.389) 7.887 2.841 ( 0.403 0.352 8.405) 8.422 2.921 ( -3.285 -2.005 3.224) 5.021 2.989 ( -0.437 -1.181 -1.193) 1.735 3.042 ( -1.730 -3.966 -4.353) 6.137 3.183 ( -0.423 -6.897 3.189) 7.610 3.234 ( -0.428 -6.668 -1.880) 6.941 3.634 ( 2.361 0.104 0.392) 2.396 3.650 ( 2.122 -2.059 -1.025) 3.129 3.942 ( -1.808 -3.630 0.378) 4.073 3.945 ( -2.694 -3.310 0.074) 4.268 4.648 ( -0.484 3.604 0.298) 3.649 4.653 ( -0.510 4.064 -0.157) 4.099 4.748 ( -3.235 12.584 1.630) 13.095 4.783 ( -2.625 12.494 -1.656) 12.874 4.910 ( 0.549 1.788 1.543) 2.425 4.930 ( -1.020 2.744 -0.276) 2.940 4.985 ( 0.958 0.548 -0.918) 1.435 4.993 ( -1.690 1.191 -1.688) 2.669 5.061 ( 1.002 4.751 1.097) 4.978 5.077 ( 0.482 5.403 -0.584) 5.456 5.427 ( -9.158 4.162 4.479) 11.012 5.517 ( -8.886 1.281 -3.967) 9.815 5.947 ( 3.841 -2.593 7.069) 8.452 6.083 ( 1.147 -6.378 -3.115) 7.190 6.142 ( 3.536 -7.668 -3.505) 9.143 6.144 ( 2.586 -11.854 -1.302) 12.203 6.303 ( 2.630 2.628 0.356) 3.735 6.321 ( 1.955 0.835 -1.115) 2.400 6.438 ( 1.895 -0.356 2.033) 2.801 6.456 ( 1.940 3.146 0.212) 3.702 6.940 ( 3.616 -0.832 7.239) 8.135 7.119 ( 1.782 -1.425 -10.018) 10.274 7.311 ( 0.196 7.512 1.346) 7.634 7.332 ( 0.514 7.518 -0.733) 7.571 7.576 ( -1.213 11.553 2.885) 11.969 7.628 ( -1.213 2.612 -0.396) 2.907 7.900 ( -8.613 0.109 -0.988) 8.670 7.942 ( -7.983 -3.062 -3.369) 9.190 8.346 ( 1.638 -1.343 3.898) 4.436 8.391 ( 1.140 -2.328 -1.001) 2.779 8.479 ( 4.288 -2.108 1.883) 5.136 8.520 ( 1.957 -1.764 -1.801) 3.191 ======================= Grid point 107 (39/56) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 7.050 10.160 6.304) 13.881 1.023 ( 9.775 8.036 7.199) 14.559 1.103 ( 4.324 8.110 -9.059) 12.904 1.168 ( 8.590 7.981 -5.809) 13.085 1.300 ( -6.395 2.019 0.562) 6.730 1.345 ( -2.612 4.485 -3.069) 6.030 1.393 ( -4.583 1.281 2.805) 5.524 1.472 ( -4.662 2.878 -4.061) 6.820 1.492 ( 3.960 2.998 3.563) 6.113 1.546 ( 2.538 2.554 -1.376) 3.854 1.587 ( 0.969 3.924 1.765) 4.410 1.591 ( 0.786 4.101 1.881) 4.579 1.853 ( 0.594 4.553 0.527) 4.622 1.882 ( -0.718 4.318 -2.257) 4.925 1.958 ( -1.229 3.575 1.971) 4.263 1.979 ( -1.732 2.075 0.502) 2.749 2.023 ( 1.391 4.838 -0.291) 5.043 2.041 ( 1.276 5.706 -1.505) 6.037 2.057 ( 0.551 4.907 2.352) 5.469 2.110 ( 0.130 2.883 -2.488) 3.811 2.152 ( 0.852 8.623 1.529) 8.799 2.175 ( 0.228 10.555 -0.416) 10.566 2.216 ( 4.430 11.468 2.445) 12.535 2.248 ( 0.668 5.074 0.596) 5.152 2.366 ( -4.524 5.129 -0.365) 6.849 2.407 ( 0.180 8.545 -3.870) 9.382 2.467 ( -0.891 0.662 3.247) 3.432 2.530 ( 3.149 3.088 -0.195) 4.415 2.641 ( 1.578 5.654 -3.433) 6.801 2.651 ( 2.635 5.292 -3.331) 6.786 2.845 ( -2.062 2.359 4.812) 5.742 2.874 ( 0.077 -0.244 2.315) 2.329 2.963 ( -2.287 0.304 0.534) 2.368 2.996 ( -2.129 0.871 -3.571) 4.247 3.180 ( 0.220 -4.238 2.451) 4.901 3.220 ( -1.120 -3.277 -1.465) 3.761 3.683 ( 2.391 -0.558 0.226) 2.465 3.692 ( 1.955 -1.715 -0.604) 2.670 3.889 ( -2.654 -1.794 0.610) 3.261 3.898 ( -2.479 -2.288 -0.275) 3.385 4.640 ( -0.098 5.405 0.331) 5.416 4.648 ( 0.087 5.654 -0.366) 5.666 4.689 ( -2.733 11.246 1.332) 11.650 4.720 ( -3.488 11.214 -1.638) 11.858 4.900 ( -1.020 1.603 0.766) 2.048 4.920 ( -0.841 2.820 -0.737) 3.033 4.967 ( 0.332 0.773 1.800) 1.987 5.022 ( 2.191 0.803 -2.167) 3.184 5.068 ( -0.100 4.990 1.325) 5.164 5.090 ( 0.591 6.227 -0.602) 6.283 5.265 ( -6.546 7.089 3.517) 10.270 5.345 ( -8.504 3.980 -3.841) 10.144 6.025 ( 3.876 -4.955 3.896) 7.399 6.096 ( 0.098 -7.084 -1.961) 7.351 6.189 ( 1.958 -11.168 -1.329) 11.416 6.193 ( 1.874 -8.564 -2.303) 9.064 6.331 ( 0.565 0.274 0.376) 0.732 6.340 ( 0.076 -0.677 -0.352) 0.767 6.503 ( 4.157 -0.025 2.220) 4.713 6.521 ( 3.724 0.947 0.864) 3.938 7.013 ( 3.802 1.204 3.946) 5.610 7.127 ( -1.374 2.578 -6.663) 7.275 7.337 ( 2.508 6.296 0.485) 6.794 7.349 ( 1.407 8.074 -0.531) 8.213 7.550 ( -1.229 6.858 1.794) 7.195 7.604 ( -1.459 2.947 -2.359) 4.047 7.746 ( -6.507 -3.391 1.934) 7.588 7.791 ( -7.047 -4.643 -1.193) 8.523 8.390 ( 2.454 -0.488 1.983) 3.192 8.415 ( 1.215 -1.269 -0.527) 1.835 8.529 ( 1.261 -1.348 0.534) 1.922 8.544 ( 0.442 -1.348 -0.843) 1.650 ======================= Grid point 108 (40/56) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -7.769 5.733 0.633) 9.676 1.102 ( 7.769 5.733 0.633) 9.676 1.201 ( -6.659 2.915 4.253) 8.422 1.201 ( 6.659 2.915 4.253) 8.422 1.274 ( -3.241 3.837 -3.476) 6.109 1.274 ( 3.241 3.837 -3.476) 6.109 1.353 ( -6.815 5.274 -4.148) 9.564 1.353 ( 6.815 5.274 -4.148) 9.564 1.561 ( -2.102 3.955 1.737) 4.804 1.561 ( 2.102 3.955 1.737) 4.804 1.593 ( -0.701 2.954 1.006) 3.198 1.593 ( 0.701 2.954 1.006) 3.198 1.871 ( -0.855 4.741 -1.224) 4.971 1.871 ( 0.855 4.741 -1.224) 4.971 1.950 ( -0.809 2.241 1.451) 2.790 1.950 ( 0.809 2.241 1.451) 2.790 2.028 ( -0.723 2.246 -0.053) 2.360 2.028 ( 0.723 2.246 -0.053) 2.360 2.106 ( -1.749 6.602 -1.252) 6.944 2.106 ( 1.749 6.602 -1.252) 6.944 2.164 ( -1.492 8.295 0.921) 8.479 2.164 ( 1.492 8.295 0.921) 8.479 2.257 ( -2.825 4.804 -0.207) 5.577 2.257 ( 2.825 4.804 -0.207) 5.577 2.375 ( -5.417 8.127 4.841) 10.901 2.375 ( 5.417 8.127 4.841) 10.901 2.492 ( -4.497 1.159 -4.561) 6.509 2.492 ( 4.497 1.159 -4.561) 6.509 2.690 ( -2.648 6.724 -0.498) 7.244 2.690 ( 2.648 6.724 -0.498) 7.244 2.835 ( -3.297 0.951 -0.906) 3.549 2.835 ( 3.297 0.951 -0.906) 3.549 2.963 ( -1.912 3.156 1.416) 3.952 2.963 ( 1.912 3.156 1.416) 3.952 3.195 ( -1.305 -2.737 -0.007) 3.033 3.195 ( 1.305 -2.737 -0.007) 3.033 3.710 ( -0.269 -1.227 -0.011) 1.256 3.710 ( 0.269 -1.227 -0.011) 1.256 3.866 ( -0.460 -1.170 0.109) 1.262 3.866 ( 0.460 -1.170 0.109) 1.262 4.650 ( -1.182 8.362 0.570) 8.464 4.650 ( 1.182 8.362 0.570) 8.464 4.667 ( -1.938 8.428 -0.774) 8.683 4.667 ( 1.938 8.428 -0.774) 8.683 4.897 ( -0.758 1.644 -0.678) 1.933 4.897 ( 0.758 1.644 -0.678) 1.933 5.008 ( -2.940 2.276 3.788) 5.307 5.008 ( 2.940 2.276 3.788) 5.307 5.088 ( -1.168 4.769 -1.928) 5.275 5.088 ( 1.168 4.769 -1.928) 5.275 5.228 ( -2.957 6.638 -1.126) 7.354 5.228 ( 2.957 6.638 -1.126) 7.354 6.080 ( -1.867 -6.631 0.755) 6.930 6.080 ( 1.867 -6.631 0.755) 6.930 6.210 ( -0.136 -9.832 -1.622) 9.966 6.210 ( 0.136 -9.832 -1.622) 9.966 6.337 ( -0.222 -0.710 -0.040) 0.745 6.337 ( 0.222 -0.710 -0.040) 0.745 6.554 ( -0.649 -0.266 1.991) 2.111 6.554 ( 0.649 -0.266 1.991) 2.111 7.079 ( -3.250 3.686 -1.325) 5.090 7.079 ( 3.250 3.686 -1.325) 5.090 7.370 ( -0.306 8.347 0.137) 8.354 7.370 ( 0.306 8.347 0.137) 8.354 7.558 ( -2.574 2.386 -1.968) 4.024 7.558 ( 2.574 2.386 -1.968) 4.024 7.702 ( -1.888 -5.340 1.773) 5.935 7.702 ( 1.888 -5.340 1.773) 5.935 8.423 ( -0.717 -0.513 0.525) 1.026 8.423 ( 0.717 -0.513 0.525) 1.026 8.542 ( -0.432 -1.096 -0.191) 1.194 8.542 ( 0.432 -1.096 -0.191) 1.194 ======================= Grid point 112 (41/56) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 13.258 2.966) 13.586 1.140 ( 0.000 11.822 -2.612) 12.108 1.232 ( 0.000 12.934 0.676) 12.952 1.257 ( 0.000 10.652 -1.519) 10.760 1.404 ( 0.000 3.518 2.758) 4.470 1.434 ( 0.000 4.029 -1.650) 4.354 1.479 ( 0.000 2.997 0.324) 3.015 1.524 ( 0.000 4.435 -0.953) 4.537 1.557 ( 0.000 1.925 2.208) 2.929 1.595 ( 0.000 6.662 2.335) 7.059 1.606 ( 0.000 0.478 -3.729) 3.760 1.643 ( 0.000 2.629 -2.435) 3.584 1.938 ( 0.000 4.267 1.585) 4.552 1.983 ( 0.000 3.524 -2.741) 4.464 2.052 ( 0.000 -0.074 0.346) 0.354 2.053 ( 0.000 1.754 0.464) 1.814 2.108 ( 0.000 3.156 2.796) 4.217 2.128 ( 0.000 -0.002 0.402) 0.402 2.134 ( 0.000 2.817 1.539) 3.210 2.140 ( 0.000 7.832 1.050) 7.902 2.255 ( 0.000 1.229 -0.867) 1.504 2.275 ( 0.000 6.266 -2.416) 6.716 2.391 ( 0.000 11.452 0.658) 11.471 2.406 ( 0.000 4.967 -0.302) 4.977 2.526 ( 0.000 5.247 -1.062) 5.353 2.542 ( 0.000 9.728 -3.327) 10.282 2.634 ( 0.000 7.640 6.384) 9.956 2.709 ( 0.000 13.840 0.409) 13.846 2.750 ( 0.000 10.065 -1.002) 10.114 2.783 ( 0.000 9.401 -5.455) 10.869 2.905 ( 0.000 3.272 0.933) 3.403 2.921 ( 0.000 -5.285 -0.998) 5.378 2.923 ( 0.000 4.750 3.481) 5.888 2.982 ( 0.000 -3.212 -2.079) 3.826 3.026 ( 0.000 -3.166 3.099) 4.430 3.073 ( 0.000 -6.222 -1.642) 6.435 3.629 ( 0.000 1.708 0.792) 1.882 3.647 ( 0.000 3.023 -0.874) 3.147 3.900 ( 0.000 -2.107 0.486) 2.162 3.908 ( 0.000 -2.721 -0.263) 2.733 4.709 ( 0.000 2.620 0.728) 2.720 4.721 ( 0.000 2.690 -0.448) 2.727 4.885 ( 0.000 -2.800 0.862) 2.930 4.902 ( 0.000 -3.677 -0.650) 3.734 4.978 ( 0.000 5.746 0.588) 5.776 4.990 ( 0.000 4.706 -0.489) 4.731 5.060 ( 0.000 8.072 3.537) 8.813 5.109 ( 0.000 7.275 -0.502) 7.292 5.148 ( 0.000 5.775 -0.147) 5.777 5.182 ( 0.000 7.205 -4.084) 8.282 5.553 ( 0.000 -0.121 2.161) 2.165 5.580 ( 0.000 -2.289 -0.520) 2.347 5.898 ( 0.000 -10.673 0.601) 10.690 5.898 ( 0.000 -1.243 2.218) 2.543 5.920 ( 0.000 -6.840 0.512) 6.860 5.991 ( 0.000 -4.624 -4.543) 6.482 6.354 ( 0.000 4.989 0.620) 5.027 6.371 ( 0.000 5.713 -1.227) 5.843 6.478 ( 0.000 5.714 4.053) 7.005 6.552 ( 0.000 6.148 -3.115) 6.892 6.879 ( 0.000 -0.913 6.947) 7.007 7.044 ( 0.000 -2.847 -8.879) 9.324 7.413 ( 0.000 1.856 0.048) 1.857 7.413 ( 0.000 2.622 0.034) 2.622 7.635 ( 0.000 -2.465 6.701) 7.140 7.754 ( 0.000 2.335 -4.807) 5.345 7.976 ( 0.000 -0.051 3.746) 3.746 8.078 ( 0.000 2.641 -6.429) 6.951 8.318 ( 0.000 -0.404 0.624) 0.744 8.319 ( 0.000 -0.394 0.221) 0.451 8.409 ( 0.000 1.550 4.395) 4.660 8.481 ( 0.000 0.391 -2.604) 2.633 ======================= Grid point 113 (42/56) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 2.443 12.106 3.209) 12.760 1.152 ( 0.604 11.241 0.699) 11.279 1.237 ( 1.202 11.471 -1.545) 11.637 1.280 ( 2.205 11.669 -2.948) 12.236 1.401 ( 0.583 2.591 2.481) 3.634 1.440 ( -1.952 2.293 -2.252) 3.760 1.472 ( 0.394 4.379 1.651) 4.696 1.528 ( -0.308 3.137 1.023) 3.315 1.559 ( 0.242 3.276 -2.082) 3.889 1.581 ( -1.060 2.760 -3.061) 4.256 1.634 ( 2.061 4.179 1.117) 4.792 1.645 ( 1.327 3.126 0.618) 3.452 1.937 ( -0.042 4.288 1.313) 4.485 1.977 ( -0.618 3.664 -2.523) 4.491 2.040 ( -1.110 1.644 0.618) 2.078 2.048 ( -0.883 1.228 -0.128) 1.518 2.070 ( -1.731 0.851 2.180) 2.911 2.118 ( -1.536 1.922 -1.491) 2.877 2.152 ( 1.282 7.195 1.174) 7.402 2.157 ( 1.043 3.563 0.378) 3.732 2.244 ( 0.692 1.543 2.977) 3.424 2.313 ( 1.212 3.824 -3.498) 5.323 2.362 ( -3.213 2.300 1.578) 4.255 2.395 ( 0.049 8.534 -0.757) 8.567 2.522 ( 0.082 6.999 0.730) 7.037 2.542 ( -1.142 7.465 -0.374) 7.561 2.645 ( -0.030 10.812 3.311) 11.308 2.665 ( -3.659 11.602 -0.121) 12.166 2.720 ( -1.237 5.641 -2.270) 6.205 2.773 ( -0.569 8.215 -5.299) 9.793 2.902 ( 0.732 0.560 1.680) 1.916 2.920 ( 0.438 2.097 0.887) 2.318 2.969 ( 3.707 5.026 0.540) 6.268 2.996 ( 1.164 1.152 -1.057) 1.949 3.071 ( 3.175 -2.616 2.784) 4.968 3.116 ( 3.446 -4.243 -1.731) 5.734 3.647 ( 1.693 1.320 0.680) 2.252 3.662 ( 1.438 2.457 -0.742) 2.942 3.891 ( -0.928 -1.755 0.226) 1.999 3.893 ( -1.428 -2.129 0.024) 2.564 4.710 ( 0.327 2.689 0.786) 2.820 4.724 ( 0.544 3.216 -0.578) 3.312 4.893 ( 0.880 -1.835 1.337) 2.435 4.922 ( 1.268 -0.990 -1.464) 2.175 4.958 ( -1.989 4.815 0.574) 5.241 4.967 ( -2.244 4.149 -0.294) 4.726 5.023 ( -2.269 7.380 3.038) 8.298 5.091 ( -2.360 7.965 -3.423) 8.985 5.169 ( 1.894 6.104 1.077) 6.481 5.192 ( 0.664 6.649 -1.228) 6.794 5.487 ( -5.752 1.766 1.714) 6.256 5.519 ( -5.760 -0.739 -1.154) 5.920 5.902 ( 0.939 -7.184 1.533) 7.406 5.931 ( 1.194 -9.026 -1.104) 9.171 5.933 ( 2.374 -5.134 3.001) 6.404 6.011 ( 1.517 -5.543 -4.169) 7.100 6.366 ( 0.807 4.527 0.352) 4.612 6.379 ( 0.545 5.080 -1.102) 5.227 6.487 ( 1.324 4.858 3.882) 6.358 6.551 ( 0.323 5.637 -2.257) 6.081 6.923 ( 4.328 -0.760 5.962) 7.406 7.076 ( 3.137 -2.616 -8.770) 9.674 7.411 ( 0.141 2.794 1.377) 3.118 7.430 ( 1.456 2.590 -0.570) 3.025 7.607 ( -2.580 -3.350 5.901) 7.259 7.714 ( -3.949 0.600 -4.560) 6.062 7.880 ( -8.501 0.879 3.363) 9.184 7.960 ( -9.930 1.815 -4.370) 11.000 8.346 ( 3.062 1.743 1.184) 3.717 8.363 ( 2.668 -0.013 -0.450) 2.706 8.461 ( 3.904 0.249 2.236) 4.506 8.503 ( 1.849 0.049 -1.748) 2.545 ======================= Grid point 114 (43/56) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 1.964 9.418 4.037) 10.433 1.185 ( 3.595 8.128 3.183) 9.440 1.275 ( 2.521 8.935 -3.854) 10.052 1.330 ( 0.641 8.316 -5.624) 10.059 1.362 ( -3.027 4.266 2.128) 5.647 1.408 ( -1.740 2.261 -0.579) 2.912 1.452 ( -2.212 4.802 1.244) 5.431 1.537 ( -1.684 3.980 -4.142) 5.986 1.550 ( 2.264 2.983 2.143) 4.314 1.599 ( 3.293 2.729 -1.855) 4.662 1.661 ( 0.711 4.357 2.707) 5.178 1.685 ( 1.264 5.033 0.137) 5.191 1.941 ( 0.633 4.513 0.628) 4.600 1.965 ( -0.332 4.370 -1.817) 4.744 2.015 ( -1.316 2.603 0.543) 2.967 2.023 ( -1.506 2.558 -0.030) 2.968 2.053 ( -0.411 0.800 1.315) 1.593 2.084 ( -1.820 0.326 -1.597) 2.443 2.174 ( 0.711 5.370 0.586) 5.449 2.184 ( 1.054 4.480 -0.163) 4.605 2.244 ( 0.035 -0.865 3.171) 3.287 2.302 ( -0.172 1.811 -2.058) 2.746 2.342 ( 0.731 3.549 2.411) 4.352 2.399 ( -1.786 3.872 -2.315) 4.852 2.478 ( -2.694 3.899 2.303) 5.269 2.515 ( -2.722 6.156 0.227) 6.735 2.577 ( -3.200 6.963 2.083) 7.941 2.629 ( -1.404 8.010 -2.201) 8.425 2.776 ( 5.154 9.927 -1.547) 11.292 2.797 ( 3.527 8.799 -3.162) 9.993 2.911 ( -0.539 5.401 0.295) 5.436 2.921 ( -0.830 2.791 -0.412) 2.941 3.023 ( 2.009 4.375 1.922) 5.184 3.043 ( 3.019 6.482 -0.391) 7.161 3.116 ( 1.841 -1.107 2.713) 3.461 3.166 ( 1.258 -1.660 -2.100) 2.958 3.682 ( 1.754 0.598 0.498) 1.919 3.691 ( 1.358 1.267 -0.318) 1.885 3.863 ( -1.406 -1.001 0.310) 1.754 3.868 ( -1.313 -0.981 -0.149) 1.645 4.733 ( 2.436 4.101 0.732) 4.826 4.749 ( 2.190 4.534 -0.714) 5.086 4.886 ( -4.013 7.553 0.526) 8.569 4.892 ( -3.718 5.552 -0.280) 6.688 4.918 ( 0.194 0.786 1.010) 1.295 4.954 ( -0.545 0.940 -2.404) 2.638 5.006 ( 0.823 3.954 2.698) 4.857 5.058 ( -0.286 4.736 -2.099) 5.188 5.177 ( -0.898 6.164 1.936) 6.523 5.207 ( 0.234 6.015 -0.917) 6.089 5.386 ( -3.973 4.692 0.543) 6.173 5.404 ( -5.339 1.964 -1.005) 5.777 5.927 ( 1.437 -7.492 1.141) 7.714 5.947 ( 0.587 -7.394 0.124) 7.418 5.980 ( 2.240 -9.428 0.984) 9.740 6.028 ( 0.074 -7.854 -2.831) 8.349 6.374 ( 0.074 4.446 0.047) 4.447 6.381 ( -0.333 4.669 -0.666) 4.728 6.531 ( 2.853 2.808 2.839) 4.907 6.568 ( 1.034 3.471 -0.478) 3.653 7.023 ( 5.870 0.101 3.492) 6.831 7.137 ( 2.282 -0.883 -7.723) 8.101 7.414 ( 0.331 1.620 4.354) 4.657 7.466 ( 2.113 3.684 -1.376) 4.464 7.573 ( -0.077 -3.926 2.028) 4.420 7.620 ( -5.267 -3.458 -2.519) 6.786 7.715 ( -8.077 2.438 2.737) 8.870 7.771 ( -9.276 1.099 -2.716) 9.728 8.403 ( 2.640 2.001 0.605) 3.368 8.411 ( 2.236 1.085 -0.135) 2.490 8.514 ( 1.576 -0.143 0.707) 1.734 8.529 ( 0.611 -0.178 -0.685) 0.935 ======================= Grid point 115 (44/56) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -3.486 4.641 2.797) 6.443 1.203 ( 3.486 4.641 2.797) 6.443 1.303 ( -1.553 6.665 -0.831) 6.893 1.303 ( 1.553 6.665 -0.831) 6.893 1.358 ( -2.674 5.718 -0.792) 6.362 1.358 ( 2.674 5.718 -0.792) 6.362 1.473 ( -3.831 6.022 -3.140) 7.798 1.473 ( 3.831 6.022 -3.140) 7.798 1.622 ( -2.911 2.048 2.147) 4.157 1.622 ( 2.911 2.048 2.147) 4.157 1.674 ( -1.917 5.570 -0.349) 5.901 1.674 ( 1.917 5.570 -0.349) 5.901 1.959 ( -0.812 4.247 -0.467) 4.349 1.959 ( 0.812 4.247 -0.467) 4.349 2.002 ( -0.316 3.096 0.104) 3.114 2.002 ( 0.316 3.096 0.104) 3.114 2.056 ( -0.923 1.211 0.170) 1.532 2.056 ( 0.923 1.211 0.170) 1.532 2.178 ( -0.371 1.683 -0.325) 1.754 2.178 ( 0.371 1.683 -0.325) 1.754 2.307 ( -5.354 1.954 1.964) 6.028 2.307 ( 5.354 1.954 1.964) 6.028 2.335 ( -2.459 5.152 -0.265) 5.715 2.335 ( 2.459 5.152 -0.265) 5.715 2.464 ( -0.590 0.175 0.824) 1.028 2.464 ( 0.590 0.175 0.824) 1.028 2.586 ( -2.604 9.111 -1.134) 9.543 2.586 ( 2.604 9.111 -1.134) 9.543 2.863 ( -2.396 10.181 -0.457) 10.469 2.863 ( 2.396 10.181 -0.457) 10.469 2.882 ( -2.246 4.676 -1.932) 5.536 2.882 ( 2.246 4.676 -1.932) 5.536 3.057 ( -1.211 5.436 2.748) 6.210 3.057 ( 1.211 5.436 2.748) 6.210 3.156 ( -2.012 -0.207 -1.147) 2.326 3.156 ( 2.012 -0.207 -1.147) 2.326 3.703 ( -0.270 0.459 0.249) 0.588 3.703 ( 0.270 0.459 0.249) 0.588 3.851 ( -0.238 -0.513 -0.027) 0.567 3.851 ( 0.238 -0.513 -0.027) 0.567 4.797 ( -1.875 6.257 -0.043) 6.532 4.797 ( 1.875 6.257 -0.043) 6.532 4.814 ( -1.429 6.080 0.180) 6.248 4.814 ( 1.429 6.080 0.180) 6.248 4.931 ( -1.150 2.920 -1.359) 3.420 4.931 ( 1.150 2.920 -1.359) 3.420 5.044 ( -2.246 1.980 2.442) 3.864 5.044 ( 2.246 1.980 2.442) 3.864 5.182 ( -1.993 5.417 -1.229) 5.902 5.182 ( 1.993 5.417 -1.229) 5.902 5.351 ( -0.227 5.057 0.014) 5.062 5.351 ( 0.227 5.057 0.014) 5.062 5.948 ( -0.623 -7.204 0.649) 7.260 5.948 ( 0.623 -7.204 0.649) 7.260 6.015 ( -1.393 -10.046 -0.953) 10.187 6.015 ( 1.393 -10.046 -0.953) 10.187 6.375 ( -0.171 4.591 -0.265) 4.602 6.375 ( 0.171 4.591 -0.265) 4.602 6.571 ( -1.005 1.977 1.367) 2.605 6.571 ( 1.005 1.977 1.367) 2.605 7.123 ( -3.870 1.174 -1.549) 4.331 7.123 ( 3.870 1.174 -1.549) 4.331 7.452 ( -3.661 -1.017 0.578) 3.843 7.452 ( 3.661 -1.017 0.578) 3.843 7.591 ( -3.164 1.151 0.815) 3.464 7.591 ( 3.164 1.151 0.815) 3.464 7.634 ( -4.455 -1.229 -0.856) 4.700 7.634 ( 4.455 -1.229 -0.856) 4.700 8.433 ( -0.217 1.707 0.165) 1.728 8.433 ( 0.217 1.707 0.165) 1.728 8.529 ( -0.378 -0.156 0.003) 0.409 8.529 ( 0.378 -0.156 0.003) 0.409 ======================= Grid point 119 (45/56) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 9.604 1.522) 9.724 1.338 ( 0.000 8.545 -2.425) 8.882 1.427 ( 0.000 4.621 2.084) 5.069 1.447 ( 0.000 8.679 2.498) 9.031 1.478 ( 0.000 5.962 1.918) 6.262 1.498 ( 0.000 2.357 -4.453) 5.039 1.540 ( 0.000 3.321 0.703) 3.395 1.598 ( 0.000 2.447 0.566) 2.512 1.602 ( 0.000 1.916 0.054) 1.916 1.634 ( 0.000 4.338 -6.146) 7.523 1.682 ( 0.000 1.563 1.911) 2.468 1.700 ( 0.000 4.200 -0.138) 4.202 2.007 ( 0.000 2.583 0.922) 2.742 2.038 ( 0.000 2.213 -1.917) 2.928 2.045 ( 0.000 -0.001 1.833) 1.833 2.077 ( 0.000 1.091 -1.074) 1.531 2.108 ( 0.000 -0.328 0.340) 0.473 2.112 ( 0.000 -0.356 0.199) 0.408 2.235 ( 0.000 4.716 3.732) 6.014 2.259 ( 0.000 -0.116 1.515) 1.519 2.265 ( 0.000 4.233 0.198) 4.238 2.327 ( 0.000 2.074 -4.841) 5.267 2.419 ( 0.000 -1.483 2.391) 2.814 2.500 ( 0.000 -1.251 -4.891) 5.048 2.582 ( 0.000 -4.324 7.886) 8.994 2.662 ( 0.000 -0.052 4.037) 4.037 2.750 ( 0.000 0.052 -7.246) 7.247 2.751 ( 0.000 3.266 -3.708) 4.941 2.830 ( 0.000 -5.872 2.725) 6.473 2.873 ( 0.000 -2.997 -1.503) 3.353 2.947 ( 0.000 7.333 0.991) 7.400 2.956 ( 0.000 4.625 0.382) 4.640 2.982 ( 0.000 10.638 0.280) 10.642 3.012 ( 0.000 7.411 -2.132) 7.711 3.218 ( 0.000 16.349 2.527) 16.543 3.255 ( 0.000 17.200 -1.085) 17.234 3.678 ( 0.000 2.973 1.589) 3.371 3.713 ( 0.000 3.462 -1.703) 3.858 3.866 ( 0.000 -1.705 0.493) 1.774 3.873 ( 0.000 -0.832 -0.200) 0.855 4.753 ( 0.000 2.026 0.773) 2.169 4.759 ( 0.000 0.939 0.262) 0.975 4.822 ( 0.000 -4.019 -0.264) 4.028 4.825 ( 0.000 -2.700 -0.452) 2.738 5.037 ( 0.000 1.866 1.263) 2.253 5.059 ( 0.000 3.042 -0.788) 3.143 5.227 ( 0.000 5.309 0.682) 5.352 5.230 ( 0.000 7.309 1.803) 7.528 5.260 ( 0.000 6.110 0.608) 6.140 5.331 ( 0.000 7.006 -4.838) 8.515 5.534 ( 0.000 -1.447 0.795) 1.652 5.541 ( 0.000 -1.607 -0.010) 1.607 5.716 ( 0.000 -8.048 1.811) 8.250 5.749 ( 0.000 -8.053 -1.326) 8.162 5.921 ( 0.000 0.688 0.069) 0.692 5.924 ( 0.000 -2.354 -0.241) 2.367 6.478 ( 0.000 7.323 0.620) 7.350 6.494 ( 0.000 6.833 -0.941) 6.898 6.601 ( 0.000 6.376 2.968) 7.033 6.661 ( 0.000 4.999 -2.702) 5.683 6.869 ( 0.000 -0.106 5.033) 5.034 6.990 ( 0.000 -2.713 -6.506) 7.049 7.415 ( 0.000 -1.130 0.612) 1.285 7.427 ( 0.000 -0.750 -0.508) 0.906 7.574 ( 0.000 -3.349 6.351) 7.180 7.705 ( 0.000 -5.133 -6.548) 8.320 7.981 ( 0.000 -0.979 4.641) 4.743 8.063 ( 0.000 -3.503 -3.431) 4.904 8.360 ( 0.000 4.091 0.161) 4.094 8.369 ( 0.000 4.417 -0.895) 4.506 8.456 ( 0.000 3.028 2.868) 4.170 8.502 ( 0.000 1.567 -1.728) 2.332 ======================= Grid point 120 (46/56) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.683 9.134 0.854) 9.199 1.326 ( -1.335 7.497 -0.654) 7.643 1.398 ( -1.459 3.383 2.879) 4.676 1.449 ( -0.381 2.839 1.019) 3.041 1.486 ( -0.123 4.898 -4.034) 6.347 1.493 ( 0.263 8.002 -1.607) 8.166 1.551 ( 0.611 3.947 2.536) 4.731 1.589 ( -0.003 3.381 0.958) 3.514 1.607 ( 0.522 2.132 -0.521) 2.256 1.645 ( -0.400 3.262 -3.913) 5.110 1.701 ( 2.413 3.327 1.371) 4.332 1.722 ( 2.648 3.922 -0.370) 4.747 2.010 ( 0.339 3.028 0.965) 3.196 2.039 ( 0.110 2.727 -1.570) 3.148 2.046 ( 0.144 0.049 1.475) 1.483 2.074 ( -0.224 1.238 -0.997) 1.605 2.091 ( -0.932 1.109 0.580) 1.561 2.114 ( -0.633 -0.447 -1.648) 1.822 2.241 ( -1.470 -0.071 3.538) 3.832 2.253 ( 1.488 4.263 3.384) 5.643 2.275 ( 0.974 4.619 0.341) 4.733 2.336 ( -1.675 0.671 -4.180) 4.553 2.359 ( -3.650 -1.352 1.542) 4.186 2.415 ( -3.244 -3.059 -2.567) 5.144 2.609 ( -1.574 0.825 4.218) 4.577 2.690 ( -2.945 2.061 0.152) 3.598 2.693 ( -4.677 -4.828 1.761) 6.948 2.756 ( 0.713 -5.175 -6.529) 8.362 2.801 ( 1.693 4.030 2.180) 4.885 2.868 ( 4.815 6.476 -3.826) 8.931 2.974 ( 0.862 5.353 2.235) 5.864 3.004 ( 1.309 9.616 0.034) 9.705 3.038 ( 6.143 2.390 1.378) 6.734 3.081 ( 5.418 4.909 -2.593) 7.757 3.216 ( -0.241 14.662 2.545) 14.883 3.254 ( -0.142 15.365 -1.245) 15.416 3.687 ( 0.933 2.580 1.391) 3.076 3.718 ( 0.471 3.026 -1.486) 3.404 3.860 ( -0.630 -1.420 0.598) 1.665 3.868 ( -0.520 -0.768 -0.242) 0.958 4.748 ( 0.779 1.114 1.201) 1.814 4.772 ( 0.917 1.470 -1.098) 2.052 4.849 ( 3.758 -1.751 1.339) 4.357 4.878 ( 3.974 -1.709 -1.355) 4.533 5.012 ( -2.424 1.834 1.159) 3.253 5.033 ( -2.608 2.700 -0.813) 3.841 5.184 ( -2.618 7.481 2.419) 8.287 5.234 ( -1.237 6.213 -2.217) 6.711 5.289 ( 2.318 6.031 1.488) 6.630 5.329 ( -0.311 6.902 -2.559) 7.368 5.497 ( -3.913 -0.169 0.427) 3.940 5.507 ( -3.073 -0.258 -0.342) 3.102 5.718 ( 0.547 -8.698 1.949) 8.931 5.756 ( 0.901 -8.456 -1.645) 8.662 5.898 ( -1.777 -2.196 1.432) 3.167 5.927 ( -0.504 -3.081 -1.268) 3.370 6.484 ( 0.513 7.185 0.412) 7.215 6.499 ( 0.437 6.939 -1.127) 7.043 6.594 ( -0.323 5.790 3.393) 6.719 6.655 ( -0.526 4.974 -2.399) 5.547 6.913 ( 4.474 -0.254 4.269) 6.189 7.025 ( 3.562 -2.647 -6.377) 7.770 7.428 ( 1.263 -0.633 0.991) 1.726 7.444 ( 1.888 -0.691 -0.492) 2.069 7.530 ( -4.203 -3.967 5.806) 8.192 7.649 ( -5.598 -5.179 -5.707) 9.525 7.900 ( -7.448 -0.397 3.322) 8.165 7.958 ( -9.161 -2.006 -2.370) 9.673 8.399 ( 3.132 3.451 0.325) 4.672 8.410 ( 3.089 4.026 -0.839) 5.143 8.483 ( 2.449 1.887 2.020) 3.693 8.517 ( 1.282 1.172 -1.278) 2.157 ======================= Grid point 121 (47/56) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.450 5.702 1.930) 6.192 1.310 ( -1.345 4.756 0.550) 4.973 1.394 ( 0.678 3.387 0.238) 3.463 1.435 ( -0.537 3.120 -2.408) 3.978 1.479 ( -0.518 6.654 0.279) 6.680 1.501 ( 0.509 6.998 -1.751) 7.232 1.542 ( -1.042 4.126 1.838) 4.636 1.592 ( -2.103 1.571 -1.276) 2.919 1.623 ( 3.229 4.809 1.279) 5.932 1.664 ( 2.391 3.772 -2.428) 5.083 1.742 ( 1.631 3.378 2.069) 4.284 1.777 ( 2.015 3.929 -1.073) 4.544 2.020 ( 0.692 3.496 0.906) 3.677 2.041 ( -0.065 3.264 -0.678) 3.334 2.049 ( 0.105 0.881 0.820) 1.208 2.070 ( -0.257 2.005 -1.090) 2.297 2.080 ( -0.124 1.661 -0.281) 1.690 2.090 ( -1.411 0.897 -1.218) 2.069 2.198 ( -2.481 -1.017 2.331) 3.553 2.234 ( -4.859 -0.040 -0.956) 4.952 2.285 ( 1.847 4.278 2.232) 5.167 2.313 ( 2.381 2.047 -1.261) 3.384 2.344 ( 0.947 -1.804 3.502) 4.052 2.418 ( 0.486 -1.880 -2.797) 3.404 2.521 ( -5.002 2.571 2.810) 6.287 2.556 ( -6.892 0.453 0.209) 6.910 2.680 ( 0.407 0.306 -1.579) 1.660 2.737 ( -1.876 0.068 -6.245) 6.521 2.903 ( 5.529 2.180 4.456) 7.428 2.964 ( 3.450 7.754 1.292) 8.585 3.001 ( 2.459 4.581 -0.889) 5.274 3.031 ( 1.488 8.755 -1.131) 8.953 3.131 ( 3.424 4.670 1.349) 5.946 3.165 ( 3.208 4.653 -1.513) 5.850 3.209 ( -0.494 10.738 1.889) 10.914 3.247 ( -0.746 10.868 -1.618) 11.013 3.708 ( 1.132 1.883 0.933) 2.387 3.726 ( 0.314 2.168 -0.783) 2.326 3.846 ( -0.676 -0.903 0.520) 1.241 3.854 ( -0.890 -0.630 -0.265) 1.122 4.791 ( 3.734 1.792 0.867) 4.232 4.808 ( 2.989 1.424 -0.719) 3.388 4.937 ( 3.379 2.237 0.050) 4.053 4.942 ( -1.119 1.903 -0.218) 2.219 4.973 ( 2.041 1.135 -0.108) 2.338 4.975 ( -1.559 1.924 -0.178) 2.483 5.132 ( -2.838 7.656 2.650) 8.584 5.191 ( -3.450 7.317 -3.172) 8.689 5.301 ( -1.723 6.576 1.905) 7.059 5.326 ( -0.080 6.405 -0.716) 6.445 5.419 ( -2.994 0.213 0.778) 3.101 5.446 ( -2.690 1.462 -1.657) 3.481 5.744 ( 2.191 -9.391 2.030) 9.854 5.786 ( 2.335 -8.712 -1.926) 9.223 5.854 ( -2.876 -5.771 2.357) 6.866 5.899 ( -2.446 -5.887 -1.910) 6.655 6.493 ( 0.338 7.314 0.260) 7.327 6.503 ( -0.123 7.427 -0.783) 7.469 6.602 ( 1.130 4.294 2.603) 5.147 6.644 ( -0.709 4.204 -1.289) 4.454 7.022 ( 6.695 -0.142 2.561) 7.170 7.109 ( 4.699 -1.812 -6.034) 7.859 7.405 ( -4.865 -2.148 5.592) 7.717 7.481 ( -2.233 -4.112 -1.145) 4.817 7.501 ( 4.060 -0.868 0.224) 4.157 7.534 ( -2.471 -4.079 -2.523) 5.395 7.744 ( -8.401 -0.256 1.573) 8.551 7.774 ( -9.602 -1.075 -1.306) 9.750 8.455 ( 2.517 3.078 0.251) 3.984 8.460 ( 2.156 3.436 -0.296) 4.067 8.522 ( 1.327 0.913 0.737) 1.771 8.536 ( 0.462 0.753 -0.520) 1.024 ======================= Grid point 122 (48/56) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -0.880 3.748 1.816) 4.257 1.283 ( 0.880 3.748 1.816) 4.257 1.414 ( -1.377 4.512 -2.477) 5.328 1.414 ( 1.377 4.512 -2.477) 5.328 1.492 ( -1.430 7.260 1.223) 7.500 1.492 ( 1.430 7.260 1.223) 7.500 1.550 ( -1.991 2.076 -0.591) 2.936 1.550 ( 1.991 2.076 -0.591) 2.936 1.678 ( -1.701 3.800 -0.170) 4.167 1.678 ( 1.701 3.800 -0.170) 4.167 1.774 ( -1.855 3.953 -0.131) 4.368 1.774 ( 1.855 3.953 -0.131) 4.368 2.034 ( -0.647 3.368 0.484) 3.463 2.034 ( 0.647 3.368 0.484) 3.463 2.056 ( -0.774 2.080 -0.464) 2.268 2.056 ( 0.774 2.080 -0.464) 2.268 2.081 ( -0.221 1.436 -0.302) 1.484 2.081 ( 0.221 1.436 -0.302) 1.484 2.178 ( -0.815 -0.605 0.034) 1.015 2.178 ( 0.815 -0.605 0.034) 1.015 2.331 ( -2.458 0.761 2.839) 3.831 2.331 ( 2.458 0.761 2.839) 3.831 2.379 ( -4.073 0.491 -1.981) 4.556 2.379 ( 4.073 0.491 -1.981) 4.556 2.481 ( -0.931 1.940 2.237) 3.104 2.481 ( 0.931 1.940 2.237) 3.104 2.699 ( -1.727 1.307 -4.754) 5.225 2.699 ( 1.727 1.307 -4.754) 5.225 2.973 ( -1.717 3.991 4.738) 6.428 2.973 ( 1.717 3.991 4.738) 6.428 3.045 ( -0.734 7.127 -2.622) 7.630 3.045 ( 0.734 7.127 -2.622) 7.630 3.174 ( -1.552 8.097 1.842) 8.448 3.174 ( 1.552 8.097 1.842) 8.448 3.224 ( -1.665 6.336 -1.801) 6.794 3.224 ( 1.665 6.336 -1.801) 6.794 3.725 ( -0.537 1.665 0.230) 1.764 3.725 ( 0.537 1.665 0.230) 1.764 3.841 ( -0.292 -0.605 0.003) 0.671 3.841 ( 0.292 -0.605 0.003) 0.671 4.871 ( -4.207 1.574 0.456) 4.515 4.871 ( 4.207 1.574 0.456) 4.515 4.882 ( -4.554 1.760 -0.533) 4.912 4.882 ( 4.554 1.760 -0.533) 4.912 5.033 ( -0.896 6.658 -0.536) 6.739 5.033 ( 0.896 6.658 -0.536) 6.739 5.108 ( -3.238 4.785 0.839) 5.838 5.108 ( 3.238 4.785 0.839) 5.838 5.293 ( -1.642 5.927 -0.164) 6.152 5.293 ( 1.642 5.927 -0.164) 6.152 5.412 ( -1.165 1.522 -0.315) 1.942 5.412 ( 1.165 1.522 -0.315) 1.942 5.795 ( -3.095 -8.725 2.270) 9.531 5.795 ( 3.095 -8.725 2.270) 9.531 5.842 ( -3.305 -7.616 -2.021) 8.545 5.842 ( 3.305 -7.616 -2.021) 8.545 6.498 ( -0.278 7.569 -0.017) 7.574 6.498 ( 0.278 7.569 -0.017) 7.574 6.626 ( -1.197 3.567 0.521) 3.799 6.626 ( 1.197 3.567 0.521) 3.799 7.135 ( -3.682 0.338 -1.459) 3.975 7.135 ( 3.682 0.338 -1.459) 3.975 7.374 ( -3.843 -5.463 1.019) 6.757 7.374 ( 3.843 -5.463 1.019) 6.757 7.598 ( -4.550 -0.782 0.186) 4.620 7.598 ( 4.550 -0.782 0.186) 4.620 7.617 ( -5.075 -1.190 -0.378) 5.226 7.617 ( 5.075 -1.190 -0.378) 5.226 8.482 ( -0.130 3.019 0.026) 3.021 8.482 ( 0.130 3.019 0.026) 3.021 8.535 ( -0.317 0.702 0.054) 0.772 8.535 ( 0.317 0.702 0.054) 0.772 ======================= Grid point 126 (49/56) ======================= q-point: ( 0.00 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 2.973 0.187) 2.979 1.448 ( 0.000 2.239 -1.446) 2.666 1.487 ( 0.000 4.216 0.951) 4.322 1.522 ( 0.000 1.956 -2.784) 3.403 1.575 ( 0.000 4.211 1.562) 4.491 1.579 ( 0.000 2.850 5.865) 6.521 1.609 ( 0.000 3.399 -1.662) 3.784 1.635 ( 0.000 0.964 0.820) 1.266 1.643 ( 0.000 2.089 -0.092) 2.091 1.679 ( 0.000 0.347 -0.846) 0.915 1.743 ( 0.000 3.824 -2.824) 4.753 1.760 ( 0.000 2.191 -1.671) 2.756 2.029 ( 0.000 0.798 1.645) 1.829 2.062 ( 0.000 0.307 -0.907) 0.957 2.076 ( 0.000 2.147 1.309) 2.515 2.098 ( 0.000 0.037 -0.982) 0.982 2.119 ( 0.000 1.346 0.201) 1.361 2.124 ( 0.000 3.468 -0.718) 3.542 2.245 ( 0.000 -1.543 3.415) 3.747 2.299 ( 0.000 1.457 3.695) 3.972 2.300 ( 0.000 0.061 -1.687) 1.688 2.373 ( 0.000 1.313 -3.742) 3.965 2.384 ( 0.000 -1.269 0.438) 1.343 2.420 ( 0.000 -6.483 -3.279) 7.265 2.513 ( 0.000 -1.747 3.535) 3.943 2.544 ( 0.000 -4.426 1.099) 4.560 2.726 ( 0.000 -2.977 0.297) 2.992 2.728 ( 0.000 -3.904 2.843) 4.830 2.807 ( 0.000 0.918 -4.810) 4.897 2.829 ( 0.000 -1.511 -3.682) 3.980 3.066 ( 0.000 5.641 4.158) 7.008 3.084 ( 0.000 5.463 1.869) 5.774 3.153 ( 0.000 6.341 -1.438) 6.502 3.157 ( 0.000 5.822 -1.674) 6.058 3.504 ( 0.000 11.618 1.436) 11.707 3.532 ( 0.000 10.389 -1.242) 10.463 3.733 ( 0.000 2.507 1.431) 2.887 3.768 ( 0.000 1.807 -1.983) 2.683 3.841 ( 0.000 -0.715 1.373) 1.548 3.861 ( 0.000 -0.622 -0.608) 0.869 4.747 ( 0.000 -1.358 0.983) 1.676 4.759 ( 0.000 -2.302 0.383) 2.334 4.787 ( 0.000 1.347 -0.012) 1.347 4.805 ( 0.000 0.158 -1.234) 1.244 5.073 ( 0.000 1.841 1.513) 2.383 5.099 ( 0.000 1.107 -0.857) 1.400 5.318 ( 0.000 3.954 0.307) 3.965 5.331 ( 0.000 3.702 -0.596) 3.750 5.372 ( 0.000 4.778 1.687) 5.067 5.429 ( 0.000 2.925 -3.581) 4.624 5.513 ( 0.000 -0.475 0.402) 0.622 5.519 ( 0.000 -0.716 -0.190) 0.741 5.591 ( 0.000 -4.832 1.873) 5.183 5.616 ( 0.000 -5.475 -0.732) 5.524 5.897 ( 0.000 -0.537 1.197) 1.312 5.921 ( 0.000 -0.728 -1.013) 1.248 6.611 ( 0.000 5.703 0.318) 5.711 6.616 ( 0.000 5.251 -0.214) 5.255 6.708 ( 0.000 4.414 1.392) 4.629 6.739 ( 0.000 2.832 -1.449) 3.181 6.876 ( 0.000 0.888 2.654) 2.799 6.941 ( 0.000 -2.298 -3.453) 4.148 7.384 ( 0.000 -1.726 0.720) 1.870 7.397 ( 0.000 -1.966 -0.588) 2.052 7.527 ( 0.000 -1.192 3.582) 3.775 7.603 ( 0.000 -4.863 -3.683) 6.100 7.948 ( 0.000 -1.681 2.082) 2.676 7.986 ( 0.000 -3.727 -1.551) 4.037 8.436 ( 0.000 3.114 0.166) 3.119 8.442 ( 0.000 2.729 -0.397) 2.757 8.512 ( 0.000 2.467 1.064) 2.687 8.531 ( 0.000 1.229 -0.765) 1.448 ======================= Grid point 127 (50/56) ======================= q-point: ( 0.17 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -1.571 1.726 0.464) 2.379 1.431 ( -1.868 2.636 -0.109) 3.233 1.460 ( -3.397 3.853 0.557) 5.167 1.478 ( -0.400 2.680 -1.816) 3.262 1.565 ( 0.119 2.709 1.812) 3.262 1.605 ( -0.445 3.022 -1.591) 3.444 1.631 ( 1.855 3.617 2.278) 4.660 1.646 ( 0.838 2.187 0.443) 2.384 1.655 ( 1.449 2.831 0.083) 3.181 1.688 ( 0.849 0.976 -0.884) 1.567 1.753 ( 0.852 1.810 -0.767) 2.143 1.778 ( 1.596 1.540 -1.845) 2.885 2.036 ( 0.861 0.605 1.533) 1.859 2.065 ( 0.247 0.361 -0.418) 0.605 2.077 ( 0.096 1.687 1.345) 2.159 2.100 ( 0.114 -0.044 -1.457) 1.462 2.119 ( 0.069 1.735 -0.218) 1.750 2.123 ( -0.066 3.911 -0.786) 3.990 2.232 ( -1.340 -1.279 3.418) 3.888 2.295 ( -1.863 -1.599 -2.600) 3.576 2.302 ( 0.268 0.514 2.934) 2.991 2.347 ( -2.697 -1.892 -0.327) 3.311 2.356 ( -1.477 0.942 0.364) 1.789 2.382 ( 0.230 1.839 -3.106) 3.617 2.567 ( 1.576 -4.702 1.906) 5.313 2.578 ( 2.414 -5.751 1.411) 6.395 2.652 ( -3.103 0.874 1.864) 3.724 2.719 ( -3.173 -1.068 -4.059) 5.262 2.844 ( 3.694 -0.357 -0.650) 3.768 2.881 ( 5.440 -2.348 -3.202) 6.735 3.089 ( 1.637 5.879 5.206) 8.022 3.128 ( 3.667 4.263 3.299) 6.520 3.168 ( 1.784 6.540 -2.447) 7.207 3.195 ( 3.611 4.998 -3.037) 6.873 3.477 ( -2.698 10.768 1.489) 11.200 3.506 ( -2.727 9.524 -1.244) 9.984 3.737 ( 0.423 2.364 1.285) 2.724 3.768 ( 0.020 1.820 -1.755) 2.529 3.837 ( -0.455 -0.831 1.283) 1.595 3.855 ( -0.600 -0.746 -0.555) 1.107 4.754 ( 1.607 -0.119 0.975) 1.884 4.770 ( 1.349 -1.043 -0.450) 1.763 4.848 ( 6.041 1.017 0.514) 6.148 4.865 ( 5.574 0.019 -1.032) 5.668 5.047 ( -2.714 1.701 1.202) 3.421 5.069 ( -3.109 1.022 -0.892) 3.392 5.300 ( -1.601 4.630 1.500) 5.124 5.331 ( -0.340 3.775 -1.534) 4.089 5.384 ( 0.974 3.430 1.441) 3.846 5.426 ( -0.076 2.691 -2.855) 3.924 5.509 ( -1.236 1.361 0.129) 1.843 5.510 ( -0.650 0.850 0.056) 1.072 5.583 ( -0.577 -5.060 2.125) 5.518 5.618 ( 0.371 -5.575 -1.360) 5.750 5.849 ( -4.828 -2.132 1.528) 5.495 5.878 ( -4.213 -2.550 -1.186) 5.066 6.616 ( 0.552 5.765 0.370) 5.803 6.625 ( 0.813 5.392 -0.380) 5.467 6.697 ( -0.921 4.517 1.747) 4.930 6.735 ( -0.556 2.966 -1.783) 3.505 6.915 ( 4.066 0.481 2.444) 4.768 6.976 ( 3.645 -2.380 -3.333) 5.482 7.398 ( 1.400 -2.074 0.803) 2.628 7.413 ( 1.548 -2.272 -0.628) 2.820 7.480 ( -4.545 -0.886 3.452) 5.776 7.552 ( -5.043 -4.439 -3.385) 7.523 7.875 ( -6.969 -1.464 1.611) 7.301 7.904 ( -7.686 -2.936 -1.175) 8.311 8.465 ( 2.495 2.794 0.368) 3.764 8.475 ( 2.638 2.346 -0.688) 3.597 8.523 ( 1.030 1.917 1.020) 2.403 8.540 ( 0.754 0.971 -0.634) 1.383 ======================= Grid point 128 (51/56) ======================= q-point: ( 0.33 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.233 3.247 0.858) 4.033 1.381 ( -2.750 3.008 0.178) 4.079 1.440 ( 0.489 1.300 0.750) 1.578 1.473 ( -0.611 0.124 -2.584) 2.658 1.575 ( 0.977 3.916 1.011) 4.161 1.597 ( -0.189 3.596 -1.083) 3.760 1.635 ( -1.075 4.901 1.148) 5.148 1.642 ( -1.072 4.018 0.657) 4.210 1.699 ( 2.514 2.176 -0.032) 3.325 1.712 ( 1.630 0.653 -0.940) 1.992 1.765 ( 0.537 -1.020 1.263) 1.710 1.804 ( 0.540 -1.623 -1.984) 2.619 2.058 ( 1.182 0.784 0.930) 1.695 2.070 ( 0.289 1.013 0.244) 1.082 2.082 ( 0.446 1.000 1.224) 1.642 2.098 ( -0.263 0.460 -1.014) 1.144 2.121 ( -0.009 2.999 -0.730) 3.087 2.125 ( 0.278 3.740 -1.001) 3.882 2.202 ( -1.504 0.391 1.947) 2.491 2.227 ( -3.191 -0.078 -0.507) 3.232 2.312 ( 0.753 -0.385 1.924) 2.102 2.340 ( -0.279 0.839 1.104) 1.414 2.355 ( 1.565 0.636 -0.226) 1.704 2.390 ( 0.438 0.019 -3.188) 3.218 2.540 ( -2.160 -0.243 3.362) 4.003 2.589 ( -3.571 1.421 -1.241) 4.039 2.630 ( 2.083 -2.849 0.193) 3.534 2.684 ( -0.933 -2.671 -4.158) 5.030 2.934 ( 5.873 0.833 2.810) 6.564 3.005 ( 6.741 -2.144 -3.876) 8.066 3.102 ( -0.810 5.624 4.814) 7.447 3.159 ( -0.409 3.267 0.063) 3.293 3.242 ( 5.208 6.166 -0.133) 8.072 3.271 ( 4.099 4.732 -2.253) 6.654 3.412 ( -3.914 8.574 1.332) 9.519 3.436 ( -4.520 7.438 -0.965) 8.757 3.748 ( 0.726 2.117 0.874) 2.403 3.768 ( -0.085 1.938 -1.028) 2.196 3.827 ( -0.490 -1.073 0.869) 1.465 3.840 ( -0.937 -0.950 -0.408) 1.395 4.808 ( 3.926 0.331 0.453) 3.966 4.816 ( 3.415 -0.138 -0.238) 3.426 4.977 ( -4.043 1.375 0.496) 4.299 4.988 ( -1.459 1.582 -0.616) 2.239 5.000 ( 6.007 1.745 0.064) 6.256 5.006 ( 8.612 2.006 -0.519) 8.858 5.261 ( -2.801 5.406 2.016) 6.414 5.307 ( -2.664 4.325 -2.590) 5.702 5.400 ( 0.293 1.148 1.896) 2.236 5.423 ( -0.652 3.380 -0.261) 3.452 5.463 ( -2.831 5.031 -0.298) 5.781 5.475 ( -3.164 4.160 -1.261) 5.376 5.588 ( 1.380 -6.471 2.424) 7.047 5.636 ( 1.536 -6.543 -2.255) 7.089 5.740 ( -5.695 -5.838 2.620) 8.566 5.785 ( -5.025 -6.205 -1.703) 8.165 6.628 ( 0.645 6.012 0.494) 6.067 6.640 ( 0.553 6.015 -0.732) 6.085 6.684 ( -0.165 3.830 1.710) 4.198 6.718 ( -1.158 3.025 -1.487) 3.564 7.021 ( 6.888 0.138 1.667) 7.088 7.071 ( 6.158 -2.035 -3.173) 7.220 7.351 ( -7.109 -2.733 2.756) 8.099 7.392 ( -5.910 -4.410 -1.089) 7.454 7.474 ( 3.905 -1.523 0.094) 4.192 7.485 ( 2.178 -1.366 -0.906) 2.726 7.722 ( -8.536 -1.367 0.941) 8.696 7.739 ( -9.062 -2.107 -0.677) 9.328 8.510 ( 2.036 2.295 0.283) 3.081 8.518 ( 1.680 2.151 -0.489) 2.773 8.542 ( 0.799 1.002 0.593) 1.412 8.551 ( 0.305 0.698 -0.306) 0.821 ======================= Grid point 129 (52/56) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.240 3.522 0.578) 3.577 1.352 ( 0.240 3.522 0.578) 3.577 1.456 ( -1.030 -0.384 -0.776) 1.346 1.456 ( 1.030 -0.384 -0.776) 1.346 1.594 ( -0.773 3.990 0.353) 4.080 1.594 ( 0.773 3.990 0.353) 4.080 1.621 ( -0.638 5.373 0.269) 5.417 1.621 ( 0.638 5.373 0.269) 5.417 1.728 ( -0.465 0.667 -0.721) 1.087 1.728 ( 0.465 0.667 -0.721) 1.087 1.788 ( -1.798 -2.833 0.036) 3.356 1.788 ( 1.798 -2.833 0.036) 3.356 2.072 ( -0.336 1.507 0.307) 1.574 2.072 ( 0.336 1.507 0.307) 1.574 2.091 ( -0.545 1.115 0.304) 1.278 2.091 ( 0.545 1.115 0.304) 1.278 2.124 ( -0.370 3.398 -0.473) 3.451 2.124 ( 0.370 3.398 -0.473) 3.451 2.192 ( -0.656 1.345 0.297) 1.525 2.192 ( 0.656 1.345 0.297) 1.525 2.329 ( -0.841 -0.228 1.930) 2.118 2.329 ( 0.841 -0.228 1.930) 2.118 2.386 ( -1.202 -0.364 -1.813) 2.205 2.386 ( 1.202 -0.364 -1.813) 2.205 2.532 ( -1.719 3.133 0.848) 3.673 2.532 ( 1.719 3.133 0.848) 3.673 2.664 ( -1.392 -3.540 -2.324) 4.457 2.664 ( 1.392 -3.540 -2.324) 4.457 3.042 ( -4.796 3.293 3.849) 6.976 3.042 ( 4.796 3.293 3.849) 6.976 3.117 ( -4.098 0.768 -2.644) 4.937 3.117 ( 4.098 0.768 -2.644) 4.937 3.333 ( -3.120 6.814 0.331) 7.502 3.333 ( 3.120 6.814 0.331) 7.502 3.351 ( -3.046 5.573 -0.377) 6.362 3.351 ( 3.046 5.573 -0.377) 6.362 3.761 ( -0.601 2.019 0.113) 2.110 3.761 ( 0.601 2.019 0.113) 2.110 3.825 ( -0.427 -1.107 0.041) 1.187 3.825 ( 0.427 -1.107 0.041) 1.187 4.888 ( -2.973 0.597 0.056) 3.032 4.888 ( 2.973 0.597 0.056) 3.032 4.898 ( -3.301 0.221 -0.158) 3.312 4.898 ( 3.301 0.221 -0.158) 3.312 5.154 ( -3.435 5.485 -0.038) 6.472 5.154 ( 3.435 5.485 -0.038) 6.472 5.204 ( -5.178 4.159 -0.174) 6.644 5.204 ( 5.178 4.159 -0.174) 6.644 5.399 ( -1.323 3.957 1.686) 4.500 5.399 ( 1.323 3.957 1.686) 4.500 5.439 ( -0.392 3.186 -2.011) 3.788 5.439 ( 0.392 3.186 -2.011) 3.788 5.631 ( -2.847 -7.798 2.033) 8.547 5.631 ( 2.847 -7.798 2.033) 8.547 5.706 ( -2.875 -6.840 -1.262) 7.526 5.706 ( 2.875 -6.840 -1.262) 7.526 6.639 ( -0.476 6.357 0.211) 6.378 6.639 ( 0.476 6.357 0.211) 6.378 6.695 ( -1.136 3.037 -0.214) 3.249 6.695 ( 1.136 3.037 -0.214) 3.249 7.144 ( -3.387 0.812 -0.914) 3.601 7.144 ( 3.387 0.812 -0.914) 3.601 7.268 ( -3.337 -5.316 0.588) 6.304 7.268 ( 3.337 -5.316 0.588) 6.304 7.572 ( -4.803 -1.314 0.267) 4.986 7.572 ( 4.803 -1.314 0.267) 4.986 7.586 ( -5.107 -1.792 -0.174) 5.415 7.586 ( 5.107 -1.792 -0.174) 5.415 8.533 ( -0.222 2.020 0.001) 2.032 8.533 ( 0.222 2.020 0.001) 2.032 8.550 ( -0.242 0.712 0.043) 0.753 8.550 ( 0.242 0.712 0.043) 0.753 ======================= Grid point 133 (53/56) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 -0.595 -1.493) 1.607 1.454 ( 0.000 0.595 -1.493) 1.607 1.547 ( 0.000 -0.637 -0.053) 0.639 1.547 ( 0.000 0.637 -0.053) 0.639 1.614 ( 0.000 -1.071 4.107) 4.245 1.614 ( 0.000 1.071 4.107) 4.245 1.634 ( 0.000 -0.417 0.485) 0.640 1.634 ( 0.000 0.417 0.485) 0.640 1.676 ( 0.000 -0.997 -1.184) 1.548 1.676 ( 0.000 0.997 -1.184) 1.548 1.782 ( 0.000 -0.198 -2.705) 2.712 1.782 ( 0.000 0.198 -2.705) 2.712 2.051 ( 0.000 -1.247 1.535) 1.978 2.051 ( 0.000 1.247 1.535) 1.978 2.097 ( 0.000 -0.205 -1.063) 1.083 2.097 ( 0.000 0.205 -1.063) 1.083 2.171 ( 0.000 -2.924 2.017) 3.552 2.171 ( 0.000 2.924 2.017) 3.552 2.245 ( 0.000 -5.760 -1.930) 6.075 2.245 ( 0.000 5.760 -1.930) 6.075 2.312 ( 0.000 -1.153 0.446) 1.236 2.312 ( 0.000 1.153 0.446) 1.236 2.388 ( 0.000 -0.769 -1.302) 1.512 2.388 ( 0.000 0.769 -1.302) 1.512 2.506 ( 0.000 -0.534 1.905) 1.978 2.506 ( 0.000 0.534 1.905) 1.978 2.691 ( 0.000 -0.156 1.941) 1.948 2.691 ( 0.000 0.156 1.941) 1.948 2.812 ( 0.000 -0.294 -4.324) 4.334 2.812 ( 0.000 0.294 -4.324) 4.334 3.131 ( 0.000 -0.629 3.710) 3.763 3.131 ( 0.000 0.629 3.710) 3.763 3.215 ( 0.000 -0.024 -2.136) 2.137 3.215 ( 0.000 0.024 -2.136) 2.137 3.629 ( 0.000 -0.808 -0.041) 0.809 3.629 ( 0.000 0.808 -0.041) 0.809 3.769 ( 0.000 -1.262 0.116) 1.267 3.769 ( 0.000 1.262 0.116) 1.267 3.846 ( 0.000 -0.854 0.045) 0.855 3.846 ( 0.000 0.854 0.045) 0.855 4.734 ( 0.000 -0.238 0.516) 0.568 4.734 ( 0.000 0.238 0.516) 0.568 4.805 ( 0.000 -0.439 -0.497) 0.664 4.805 ( 0.000 0.439 -0.497) 0.664 5.102 ( 0.000 -0.838 0.454) 0.954 5.102 ( 0.000 0.838 0.454) 0.954 5.365 ( 0.000 -0.505 -0.448) 0.675 5.365 ( 0.000 0.505 -0.448) 0.675 5.439 ( 0.000 -1.917 -0.976) 2.151 5.439 ( 0.000 1.917 -0.976) 2.151 5.513 ( 0.000 -0.008 0.139) 0.139 5.513 ( 0.000 0.008 0.139) 0.139 5.547 ( 0.000 -1.120 0.876) 1.422 5.547 ( 0.000 1.120 0.876) 1.422 5.901 ( 0.000 -0.893 -0.026) 0.893 5.901 ( 0.000 0.893 -0.026) 0.893 6.671 ( 0.000 -0.099 0.183) 0.208 6.671 ( 0.000 0.099 0.183) 0.208 6.760 ( 0.000 -0.786 -0.099) 0.792 6.760 ( 0.000 0.786 -0.099) 0.792 6.902 ( 0.000 -1.737 -0.196) 1.748 6.902 ( 0.000 1.737 -0.196) 1.748 7.369 ( 0.000 -0.525 -0.011) 0.525 7.369 ( 0.000 0.525 -0.011) 0.525 7.535 ( 0.000 -2.041 -0.034) 2.041 7.535 ( 0.000 2.041 -0.034) 2.041 7.938 ( 0.000 -0.977 0.066) 0.980 7.938 ( 0.000 0.977 0.066) 0.980 8.468 ( 0.000 -0.106 -0.006) 0.107 8.468 ( 0.000 0.106 -0.006) 0.107 8.541 ( 0.000 -0.424 0.028) 0.425 8.541 ( 0.000 0.424 0.028) 0.425 ======================= Grid point 135 (54/56) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.264 -0.547 -0.956) 1.676 1.440 ( -1.264 0.547 -0.956) 1.676 1.506 ( -3.250 -0.636 0.360) 3.331 1.506 ( -3.250 0.636 0.360) 3.331 1.615 ( 0.823 -1.879 1.897) 2.793 1.615 ( 0.823 1.879 1.897) 2.793 1.671 ( 2.241 -0.498 0.528) 2.355 1.671 ( 2.241 0.498 0.528) 2.355 1.686 ( 0.914 -0.767 -0.394) 1.256 1.686 ( 0.914 0.767 -0.394) 1.256 1.779 ( -0.648 -1.004 -2.024) 2.350 1.779 ( -0.648 1.004 -2.024) 2.350 2.054 ( 0.480 -1.130 1.446) 1.897 2.054 ( 0.480 1.130 1.446) 1.897 2.094 ( -0.221 -0.464 -1.260) 1.361 2.094 ( -0.221 0.464 -1.260) 1.361 2.177 ( 0.459 -3.311 2.140) 3.969 2.177 ( 0.459 3.311 2.140) 3.969 2.223 ( -1.591 -4.981 -1.514) 5.444 2.223 ( -1.591 4.981 -1.514) 5.444 2.317 ( 0.485 -1.055 -0.041) 1.161 2.317 ( 0.485 1.055 -0.041) 1.161 2.383 ( -0.472 -1.435 -0.978) 1.800 2.383 ( -0.472 1.435 -0.978) 1.800 2.521 ( 1.283 -0.488 1.879) 2.327 2.521 ( 1.283 0.488 1.879) 2.327 2.688 ( -0.921 -2.231 -0.053) 2.414 2.688 ( -0.921 2.231 -0.053) 2.414 2.842 ( 3.885 -1.083 -2.531) 4.761 2.842 ( 3.885 1.083 -2.531) 4.761 3.160 ( 2.184 -1.119 4.558) 5.177 3.160 ( 2.184 1.119 4.558) 5.177 3.239 ( 2.667 -0.688 -3.141) 4.178 3.239 ( 2.667 0.688 -3.141) 4.178 3.594 ( -3.615 -0.812 0.016) 3.705 3.594 ( -3.615 0.812 0.016) 3.705 3.772 ( 0.354 -1.189 0.116) 1.246 3.772 ( 0.354 1.189 0.116) 1.246 3.838 ( -0.774 -0.844 0.035) 1.146 3.838 ( -0.774 0.844 0.035) 1.146 4.755 ( 2.147 -0.388 0.347) 2.209 4.755 ( 2.147 0.388 0.347) 2.209 4.864 ( 6.199 -0.427 -0.379) 6.225 4.864 ( 6.199 0.428 -0.379) 6.225 5.072 ( -3.067 -0.719 0.233) 3.159 5.072 ( -3.067 0.719 0.233) 3.159 5.358 ( -0.745 -1.152 0.245) 1.393 5.358 ( -0.745 1.152 0.245) 1.393 5.434 ( -0.340 -1.888 -1.103) 2.213 5.434 ( -0.340 1.888 -1.103) 2.213 5.515 ( 0.297 -0.588 -0.082) 0.664 5.515 ( 0.297 0.588 -0.082) 0.664 5.556 ( 0.712 -1.293 0.829) 1.693 5.556 ( 0.712 1.293 0.829) 1.693 5.837 ( -6.625 -1.098 -0.013) 6.715 5.837 ( -6.625 1.098 -0.013) 6.715 6.679 ( 0.785 -0.233 0.279) 0.865 6.679 ( 0.785 0.233 0.279) 0.865 6.755 ( -0.591 -1.139 -0.354) 1.331 6.755 ( -0.591 1.139 -0.354) 1.331 6.936 ( 3.622 -1.705 -0.093) 4.004 6.936 ( 3.622 1.705 -0.093) 4.004 7.379 ( 0.785 -0.609 -0.025) 0.994 7.379 ( 0.785 0.609 -0.025) 0.994 7.490 ( -4.100 -1.867 -0.015) 4.505 7.490 ( -4.100 1.867 -0.015) 4.505 7.865 ( -6.992 -0.776 0.074) 7.035 7.865 ( -6.992 0.776 0.074) 7.035 8.495 ( 2.336 -0.286 -0.007) 2.353 8.495 ( 2.336 0.286 -0.007) 2.353 8.547 ( 0.544 -0.409 0.030) 0.681 8.547 ( 0.544 0.409 0.030) 0.681 ======================= Grid point 137 (55/56) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -0.811 -0.626 -0.364) 1.087 1.418 ( -0.811 0.626 -0.364) 1.087 1.450 ( -2.510 -1.230 0.331) 2.815 1.450 ( -2.510 1.230 0.331) 2.815 1.641 ( 1.885 -1.429 0.542) 2.427 1.641 ( 1.885 1.429 0.542) 2.427 1.701 ( 0.865 -0.427 0.114) 0.971 1.701 ( 0.865 0.427 0.114) 0.971 1.702 ( 0.657 -0.492 0.021) 0.821 1.702 ( 0.657 0.492 0.021) 0.821 1.747 ( -2.665 -1.801 -0.890) 3.337 1.747 ( -2.665 1.801 -0.890) 3.337 2.072 ( 1.424 -0.568 0.974) 1.817 2.072 ( 1.424 0.568 0.974) 1.817 2.096 ( 0.501 -0.676 -0.957) 1.274 2.096 ( 0.501 0.676 -0.957) 1.274 2.180 ( -0.132 -2.174 1.260) 2.516 2.180 ( -0.132 2.174 1.260) 2.516 2.202 ( -0.833 -2.773 0.245) 2.906 2.202 ( -0.833 2.773 0.245) 2.906 2.331 ( 1.007 -1.647 -0.924) 2.140 2.331 ( 1.007 1.647 -0.924) 2.140 2.372 ( -0.758 -2.016 -0.906) 2.336 2.372 ( -0.758 2.016 -0.906) 2.336 2.550 ( 1.928 -1.914 1.139) 2.946 2.550 ( 1.928 1.914 1.139) 2.946 2.650 ( -2.789 -1.718 -0.634) 3.337 2.650 ( -2.789 1.718 -0.634) 3.337 2.957 ( 7.653 -2.052 -1.069) 7.995 2.957 ( 7.653 2.052 -1.069) 7.995 3.173 ( -1.432 -1.629 2.612) 3.395 3.173 ( -1.432 1.629 2.612) 3.395 3.313 ( 4.743 -0.766 -1.710) 5.100 3.313 ( 4.743 0.766 -1.710) 5.100 3.504 ( -5.432 -0.637 0.196) 5.473 3.504 ( -5.432 0.637 0.196) 5.473 3.782 ( 0.682 -1.028 0.093) 1.237 3.782 ( 0.682 1.028 0.093) 1.237 3.819 ( -1.168 -0.844 0.026) 1.441 3.819 ( -1.168 0.844 0.026) 1.441 4.812 ( 3.868 -0.169 0.103) 3.873 4.812 ( 3.868 0.169 0.103) 3.873 4.993 ( -4.793 -0.404 -0.063) 4.811 4.993 ( -4.793 0.404 -0.063) 4.811 5.028 ( 10.569 -0.252 -0.257) 10.575 5.028 ( 10.569 0.252 -0.257) 10.575 5.331 ( -2.558 -1.720 0.467) 3.118 5.331 ( -2.558 1.720 0.467) 3.118 5.433 ( 0.487 -2.281 -0.468) 2.378 5.433 ( 0.487 2.281 -0.468) 2.378 5.520 ( -0.304 -1.208 -0.102) 1.249 5.520 ( -0.304 1.208 -0.102) 1.249 5.568 ( 0.498 -2.281 0.587) 2.407 5.568 ( 0.498 2.281 0.587) 2.407 5.677 ( -9.065 -2.738 -0.124) 9.470 5.677 ( -9.065 2.738 -0.124) 9.470 6.697 ( 1.045 -0.568 0.242) 1.213 6.697 ( 1.045 0.568 0.242) 1.213 6.739 ( -1.070 -1.255 -0.447) 1.709 6.739 ( -1.070 1.256 -0.447) 1.709 7.035 ( 6.816 -1.469 -0.075) 6.973 7.035 ( 6.816 1.469 -0.075) 6.973 7.331 ( -6.867 -1.227 -0.115) 6.977 7.331 ( -6.867 1.227 -0.115) 6.977 7.465 ( 3.021 -0.457 0.088) 3.056 7.465 ( 3.021 0.457 0.088) 3.056 7.711 ( -8.644 -0.488 0.084) 8.658 7.711 ( -8.644 0.488 0.084) 8.658 8.536 ( 1.699 -0.280 0.002) 1.722 8.536 ( 1.699 0.280 0.002) 1.722 8.556 ( 0.345 -0.292 0.029) 0.453 8.556 ( 0.345 0.292 0.029) 0.453 ======================= Grid point 139 (56/56) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.384 -3.061 0.012) 3.085 1.417 ( 0.179 -3.056 0.012) 3.062 1.417 ( -0.179 3.056 0.012) 3.062 1.417 ( 0.384 3.061 0.012) 3.085 1.685 ( -2.364 -3.698 0.121) 4.391 1.685 ( 1.504 -3.584 0.121) 3.888 1.685 ( -1.504 3.584 0.121) 3.888 1.685 ( 2.364 3.698 0.121) 4.391 1.711 ( -0.322 -2.322 -0.223) 2.355 1.711 ( 0.304 -2.322 -0.223) 2.352 1.711 ( -0.304 2.322 -0.223) 2.352 1.711 ( 0.322 2.322 -0.223) 2.355 2.097 ( -0.746 -0.596 0.100) 0.960 2.097 ( 0.268 -0.484 0.100) 0.562 2.097 ( -0.268 0.484 0.100) 0.562 2.097 ( 0.746 0.596 0.100) 0.960 2.185 ( -0.658 -2.281 0.911) 2.543 2.185 ( 0.499 -2.271 0.911) 2.498 2.185 ( -0.499 2.271 0.911) 2.498 2.185 ( 0.658 2.281 0.911) 2.543 2.353 ( -1.152 -2.469 -1.262) 3.003 2.353 ( 1.061 -2.459 -1.262) 2.961 2.353 ( -1.061 2.459 -1.262) 2.961 2.353 ( 1.152 2.469 -1.262) 3.003 2.595 ( -2.220 -3.304 0.253) 3.989 2.595 ( 0.711 -3.132 0.253) 3.222 2.595 ( -0.711 3.132 0.253) 3.222 2.595 ( 2.220 3.304 0.253) 3.989 3.097 ( -6.339 -2.238 0.130) 6.724 3.097 ( -4.923 1.011 0.130) 5.027 3.097 ( 4.923 -1.011 0.130) 5.027 3.097 ( 6.339 2.238 0.130) 6.724 3.405 ( -5.012 -0.291 -0.034) 5.021 3.405 ( -5.000 0.234 -0.034) 5.006 3.405 ( 5.000 -0.234 -0.034) 5.006 3.405 ( 5.012 0.291 -0.034) 5.021 3.798 ( -0.717 -1.666 0.047) 1.814 3.798 ( 0.263 -1.632 0.047) 1.653 3.798 ( -0.263 1.632 0.047) 1.653 3.798 ( 0.717 1.666 0.047) 1.814 4.897 ( -5.004 -0.189 -0.057) 5.008 4.897 ( -4.998 0.145 -0.057) 5.001 4.897 ( 4.998 -0.145 -0.057) 5.001 4.897 ( 5.004 0.189 -0.057) 5.008 5.229 ( -8.704 -1.332 -0.193) 8.807 5.229 ( -8.298 0.223 -0.193) 8.303 5.229 ( 8.298 -0.223 -0.193) 8.303 5.229 ( 8.704 1.333 -0.193) 8.807 5.469 ( -3.213 -4.086 0.571) 5.229 5.469 ( 1.307 -3.813 0.571) 4.071 5.469 ( -1.307 3.813 0.571) 4.071 5.469 ( 3.213 4.086 0.571) 5.229 5.580 ( -1.192 -5.412 -0.232) 5.546 5.580 ( 1.110 -5.407 -0.232) 5.525 5.580 ( -1.110 5.407 -0.232) 5.525 5.580 ( 1.192 5.412 -0.232) 5.546 6.717 ( -0.994 -1.308 -0.120) 1.647 6.717 ( 0.479 -1.234 -0.120) 1.329 6.717 ( -0.479 1.234 -0.120) 1.329 6.717 ( 0.994 1.308 -0.120) 1.647 7.181 ( -7.278 -2.644 -0.104) 7.744 7.181 ( -5.689 -1.355 -0.104) 5.849 7.181 ( 5.689 1.355 -0.104) 5.849 7.181 ( 7.278 2.644 -0.104) 7.744 7.562 ( -6.803 -0.336 0.089) 6.812 7.562 ( -6.795 0.294 0.089) 6.802 7.562 ( 6.795 -0.294 0.089) 6.802 7.562 ( 6.803 0.336 0.089) 6.812 8.556 ( -0.381 -0.284 0.017) 0.476 8.556 ( -0.149 -0.224 0.017) 0.269 8.556 ( 0.149 0.224 0.017) 0.269 8.556 ( 0.381 0.285 0.017) 0.476 =================== 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 3/15552 10.0 330.113 369.257 339.533 0.000 0.000 0.000 3/15552 20.0 47.723 65.047 45.042 0.000 0.000 0.000 3/15552 30.0 19.291 30.044 17.779 0.000 0.000 0.000 3/15552 40.0 11.319 18.865 10.287 0.000 0.000 0.000 3/15552 50.0 7.791 13.358 7.009 0.000 0.000 0.000 3/15552 60.0 5.853 10.137 5.222 0.000 0.000 0.000 3/15552 70.0 4.653 8.077 4.121 0.000 0.000 0.000 3/15552 80.0 3.849 6.676 3.387 0.000 0.000 0.000 3/15552 90.0 3.278 5.676 2.869 0.000 0.000 0.000 3/15552 100.0 2.855 4.933 2.487 0.000 0.000 0.000 3/15552 110.0 2.529 4.362 2.194 0.000 0.000 0.000 3/15552 120.0 2.271 3.911 1.963 0.000 0.000 0.000 3/15552 130.0 2.062 3.545 1.777 0.000 0.000 0.000 3/15552 140.0 1.889 3.244 1.624 0.000 0.000 0.000 3/15552 150.0 1.744 2.991 1.496 0.000 0.000 0.000 3/15552 160.0 1.620 2.776 1.387 0.000 0.000 0.000 3/15552 170.0 1.513 2.590 1.293 0.000 0.000 0.000 3/15552 180.0 1.420 2.429 1.212 0.000 0.000 0.000 3/15552 190.0 1.338 2.287 1.140 0.000 0.000 0.000 3/15552 200.0 1.265 2.161 1.077 0.000 0.000 0.000 3/15552 210.0 1.199 2.048 1.020 0.000 0.000 0.000 3/15552 220.0 1.141 1.947 0.970 0.000 0.000 0.000 3/15552 230.0 1.088 1.856 0.924 0.000 0.000 0.000 3/15552 240.0 1.040 1.773 0.882 0.000 0.000 0.000 3/15552 250.0 0.996 1.698 0.844 0.000 0.000 0.000 3/15552 260.0 0.955 1.629 0.810 0.000 0.000 0.000 3/15552 270.0 0.918 1.565 0.778 0.000 0.000 0.000 3/15552 280.0 0.884 1.506 0.748 0.000 0.000 0.000 3/15552 290.0 0.852 1.452 0.721 0.000 0.000 0.000 3/15552 300.0 0.822 1.401 0.696 0.000 0.000 0.000 3/15552 310.0 0.795 1.354 0.672 0.000 0.000 0.000 3/15552 320.0 0.769 1.310 0.650 0.000 0.000 0.000 3/15552 330.0 0.745 1.269 0.630 0.000 0.000 0.000 3/15552 340.0 0.722 1.230 0.610 0.000 0.000 0.000 3/15552 350.0 0.701 1.194 0.592 0.000 0.000 0.000 3/15552 360.0 0.681 1.160 0.575 0.000 0.000 0.000 3/15552 370.0 0.662 1.127 0.559 0.000 0.000 0.000 3/15552 380.0 0.644 1.097 0.544 0.000 0.000 0.000 3/15552 390.0 0.628 1.068 0.530 0.000 0.000 0.000 3/15552 400.0 0.612 1.041 0.516 0.000 0.000 0.000 3/15552 410.0 0.596 1.015 0.503 0.000 0.000 0.000 3/15552 420.0 0.582 0.990 0.491 0.000 0.000 0.000 3/15552 430.0 0.568 0.966 0.479 0.000 0.000 0.000 3/15552 440.0 0.555 0.944 0.468 0.000 0.000 0.000 3/15552 450.0 0.542 0.923 0.457 0.000 0.000 0.000 3/15552 460.0 0.530 0.902 0.447 0.000 0.000 0.000 3/15552 470.0 0.519 0.883 0.437 0.000 0.000 0.000 3/15552 480.0 0.508 0.864 0.428 0.000 0.000 0.000 3/15552 490.0 0.497 0.846 0.419 0.000 0.000 0.000 3/15552 500.0 0.487 0.829 0.411 0.000 0.000 0.000 3/15552 510.0 0.478 0.812 0.403 0.000 0.000 0.000 3/15552 520.0 0.468 0.797 0.395 0.000 0.000 0.000 3/15552 530.0 0.459 0.781 0.387 0.000 0.000 0.000 3/15552 540.0 0.451 0.767 0.380 0.000 0.000 0.000 3/15552 550.0 0.442 0.753 0.373 0.000 0.000 0.000 3/15552 560.0 0.435 0.739 0.366 0.000 0.000 0.000 3/15552 570.0 0.427 0.726 0.360 0.000 0.000 0.000 3/15552 580.0 0.419 0.713 0.353 0.000 0.000 0.000 3/15552 590.0 0.412 0.701 0.347 0.000 0.000 0.000 3/15552 600.0 0.405 0.689 0.341 0.000 0.000 0.000 3/15552 610.0 0.399 0.678 0.336 0.000 0.000 0.000 3/15552 620.0 0.392 0.667 0.330 0.000 0.000 0.000 3/15552 630.0 0.386 0.656 0.325 0.000 0.000 0.000 3/15552 640.0 0.380 0.646 0.320 0.000 0.000 0.000 3/15552 650.0 0.374 0.636 0.315 0.000 0.000 0.000 3/15552 660.0 0.368 0.626 0.310 0.000 0.000 0.000 3/15552 670.0 0.363 0.617 0.305 0.000 0.000 0.000 3/15552 680.0 0.357 0.607 0.301 0.000 0.000 0.000 3/15552 690.0 0.352 0.599 0.296 0.000 0.000 0.000 3/15552 700.0 0.347 0.590 0.292 0.000 0.000 0.000 3/15552 710.0 0.342 0.582 0.288 0.000 0.000 0.000 3/15552 720.0 0.337 0.573 0.284 0.000 0.000 0.000 3/15552 730.0 0.333 0.566 0.280 0.000 0.000 0.000 3/15552 740.0 0.328 0.558 0.276 0.000 0.000 0.000 3/15552 750.0 0.324 0.550 0.272 0.000 0.000 0.000 3/15552 760.0 0.319 0.543 0.269 0.000 0.000 0.000 3/15552 770.0 0.315 0.536 0.265 0.000 0.000 0.000 3/15552 780.0 0.311 0.529 0.262 0.000 0.000 0.000 3/15552 790.0 0.307 0.522 0.259 0.000 0.000 0.000 3/15552 800.0 0.303 0.516 0.255 0.000 0.000 0.000 3/15552 810.0 0.300 0.509 0.252 0.000 0.000 0.000 3/15552 820.0 0.296 0.503 0.249 0.000 0.000 0.000 3/15552 830.0 0.292 0.497 0.246 0.000 0.000 0.000 3/15552 840.0 0.289 0.491 0.243 0.000 0.000 0.000 3/15552 850.0 0.285 0.485 0.240 0.000 0.000 0.000 3/15552 860.0 0.282 0.480 0.237 0.000 0.000 0.000 3/15552 870.0 0.279 0.474 0.235 0.000 0.000 0.000 3/15552 880.0 0.276 0.469 0.232 0.000 0.000 0.000 3/15552 890.0 0.273 0.463 0.229 0.000 0.000 0.000 3/15552 900.0 0.270 0.458 0.227 0.000 0.000 0.000 3/15552 910.0 0.267 0.453 0.224 0.000 0.000 0.000 3/15552 920.0 0.264 0.448 0.222 0.000 0.000 0.000 3/15552 930.0 0.261 0.443 0.219 0.000 0.000 0.000 3/15552 940.0 0.258 0.439 0.217 0.000 0.000 0.000 3/15552 950.0 0.255 0.434 0.215 0.000 0.000 0.000 3/15552 960.0 0.253 0.430 0.213 0.000 0.000 0.000 3/15552 970.0 0.250 0.425 0.210 0.000 0.000 0.000 3/15552 980.0 0.247 0.421 0.208 0.000 0.000 0.000 3/15552 990.0 0.245 0.416 0.206 0.000 0.000 0.000 3/15552 1000.0 0.242 0.412 0.204 0.000 0.000 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m6123.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:06:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|