----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:33:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.197513920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.794177000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168877420000000 Atomic positions (fractional): *1 H 0.02642225905272 0.25000000000000 0.68318745144604 1.008 2 H 0.97357774094728 0.75000000000000 0.31681254855396 1.008 3 H 0.52642225905272 0.25000000000000 0.81681254855396 1.008 4 H 0.47357774094728 0.75000000000000 0.18318745144604 1.008 *5 H 0.85289448048330 0.75000000000000 0.92789310018203 1.008 6 H 0.14710551951670 0.25000000000000 0.07210689981797 1.008 7 H 0.35289448048331 0.75000000000000 0.57210689981797 1.008 8 H 0.64710551951670 0.25000000000000 0.42789310018203 1.008 *9 Sr 0.25995752501864 0.25000000000000 0.38899792194656 87.620 10 Sr 0.74004247498136 0.75000000000000 0.61100207805344 87.620 11 Sr 0.75995752501864 0.25000000000000 0.11100207805344 87.620 12 Sr 0.24004247498136 0.75000000000000 0.88899792194656 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.197513920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.794177000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168877420000000 Atomic positions (fractional): *1 H 0.02642225905272 0.25000000000000 0.68318745144604 1.008 > 1 2 H 0.97357774094728 0.75000000000000 0.31681254855396 1.008 > 2 3 H 0.52642225905272 0.25000000000000 0.81681254855396 1.008 > 3 4 H 0.47357774094728 0.75000000000000 0.18318745144604 1.008 > 4 *5 H 0.85289448048330 0.75000000000000 0.92789310018203 1.008 > 5 6 H 0.14710551951670 0.25000000000000 0.07210689981797 1.008 > 6 7 H 0.35289448048331 0.75000000000000 0.57210689981797 1.008 > 7 8 H 0.64710551951670 0.25000000000000 0.42789310018203 1.008 > 8 *9 Sr 0.25995752501864 0.25000000000000 0.38899792194656 87.620 > 9 10 Sr 0.74004247498136 0.75000000000000 0.61100207805344 87.620 > 10 11 Sr 0.75995752501864 0.25000000000000 0.11100207805344 87.620 > 11 12 Sr 0.24004247498136 0.75000000000000 0.88899792194656 87.620 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.395027839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.382531000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.337754840000001 Atomic positions (fractional): *1 H 0.01321112952636 0.08333333333333 0.34159372572302 1.008 > 1 2 H 0.51321112952636 0.08333333333333 0.34159372572302 1.008 > 1 3 H 0.01321112952636 0.41666666666667 0.34159372572302 1.008 > 1 4 H 0.51321112952636 0.41666666666667 0.34159372572302 1.008 > 1 5 H 0.01321112952636 0.75000000000000 0.34159372572302 1.008 > 1 6 H 0.51321112952636 0.75000000000000 0.34159372572302 1.008 > 1 7 H 0.01321112952636 0.08333333333333 0.84159372572302 1.008 > 1 8 H 0.51321112952636 0.08333333333333 0.84159372572302 1.008 > 1 9 H 0.01321112952636 0.41666666666667 0.84159372572302 1.008 > 1 10 H 0.51321112952636 0.41666666666667 0.84159372572302 1.008 > 1 11 H 0.01321112952636 0.75000000000000 0.84159372572302 1.008 > 1 12 H 0.51321112952636 0.75000000000000 0.84159372572302 1.008 > 1 13 H 0.48678887047364 0.25000000000000 0.15840627427698 1.008 > 2 14 H 0.98678887047364 0.25000000000000 0.15840627427698 1.008 > 2 15 H 0.48678887047364 0.58333333333333 0.15840627427698 1.008 > 2 16 H 0.98678887047364 0.58333333333333 0.15840627427698 1.008 > 2 17 H 0.48678887047364 0.91666666666667 0.15840627427698 1.008 > 2 18 H 0.98678887047364 0.91666666666667 0.15840627427698 1.008 > 2 19 H 0.48678887047364 0.25000000000000 0.65840627427698 1.008 > 2 20 H 0.98678887047364 0.25000000000000 0.65840627427698 1.008 > 2 21 H 0.48678887047364 0.58333333333333 0.65840627427698 1.008 > 2 22 H 0.98678887047364 0.58333333333333 0.65840627427698 1.008 > 2 23 H 0.48678887047364 0.91666666666667 0.65840627427698 1.008 > 2 24 H 0.98678887047364 0.91666666666667 0.65840627427698 1.008 > 2 25 H 0.26321112952636 0.08333333333333 0.40840627427698 1.008 > 3 26 H 0.76321112952636 0.08333333333333 0.40840627427698 1.008 > 3 27 H 0.26321112952636 0.41666666666667 0.40840627427698 1.008 > 3 28 H 0.76321112952636 0.41666666666667 0.40840627427698 1.008 > 3 29 H 0.26321112952636 0.75000000000000 0.40840627427698 1.008 > 3 30 H 0.76321112952636 0.75000000000000 0.40840627427698 1.008 > 3 31 H 0.26321112952636 0.08333333333333 0.90840627427698 1.008 > 3 32 H 0.76321112952636 0.08333333333333 0.90840627427698 1.008 > 3 33 H 0.26321112952636 0.41666666666667 0.90840627427698 1.008 > 3 34 H 0.76321112952636 0.41666666666667 0.90840627427698 1.008 > 3 35 H 0.26321112952636 0.75000000000000 0.90840627427698 1.008 > 3 36 H 0.76321112952636 0.75000000000000 0.90840627427698 1.008 > 3 37 H 0.23678887047364 0.25000000000000 0.09159372572302 1.008 > 4 38 H 0.73678887047364 0.25000000000000 0.09159372572302 1.008 > 4 39 H 0.23678887047364 0.58333333333333 0.09159372572302 1.008 > 4 40 H 0.73678887047364 0.58333333333333 0.09159372572302 1.008 > 4 41 H 0.23678887047364 0.91666666666667 0.09159372572302 1.008 > 4 42 H 0.73678887047364 0.91666666666667 0.09159372572302 1.008 > 4 43 H 0.23678887047364 0.25000000000000 0.59159372572302 1.008 > 4 44 H 0.73678887047364 0.25000000000000 0.59159372572302 1.008 > 4 45 H 0.23678887047364 0.58333333333333 0.59159372572302 1.008 > 4 46 H 0.73678887047364 0.58333333333333 0.59159372572302 1.008 > 4 47 H 0.23678887047364 0.91666666666667 0.59159372572302 1.008 > 4 48 H 0.73678887047364 0.91666666666667 0.59159372572302 1.008 > 4 *49 H 0.42644724024165 0.25000000000000 0.46394655009101 1.008 > 5 50 H 0.92644724024165 0.25000000000000 0.46394655009101 1.008 > 5 51 H 0.42644724024165 0.58333333333333 0.46394655009101 1.008 > 5 52 H 0.92644724024165 0.58333333333333 0.46394655009101 1.008 > 5 53 H 0.42644724024165 0.91666666666667 0.46394655009101 1.008 > 5 54 H 0.92644724024165 0.91666666666667 0.46394655009101 1.008 > 5 55 H 0.42644724024165 0.25000000000000 0.96394655009101 1.008 > 5 56 H 0.92644724024165 0.25000000000000 0.96394655009101 1.008 > 5 57 H 0.42644724024165 0.58333333333333 0.96394655009101 1.008 > 5 58 H 0.92644724024165 0.58333333333333 0.96394655009101 1.008 > 5 59 H 0.42644724024165 0.91666666666667 0.96394655009101 1.008 > 5 60 H 0.92644724024165 0.91666666666667 0.96394655009101 1.008 > 5 61 H 0.07355275975835 0.08333333333333 0.03605344990899 1.008 > 6 62 H 0.57355275975835 0.08333333333333 0.03605344990899 1.008 > 6 63 H 0.07355275975835 0.41666666666667 0.03605344990899 1.008 > 6 64 H 0.57355275975835 0.41666666666667 0.03605344990899 1.008 > 6 65 H 0.07355275975835 0.75000000000000 0.03605344990899 1.008 > 6 66 H 0.57355275975835 0.75000000000000 0.03605344990899 1.008 > 6 67 H 0.07355275975835 0.08333333333333 0.53605344990899 1.008 > 6 68 H 0.57355275975835 0.08333333333333 0.53605344990899 1.008 > 6 69 H 0.07355275975835 0.41666666666667 0.53605344990899 1.008 > 6 70 H 0.57355275975835 0.41666666666667 0.53605344990899 1.008 > 6 71 H 0.07355275975835 0.75000000000000 0.53605344990899 1.008 > 6 72 H 0.57355275975835 0.75000000000000 0.53605344990899 1.008 > 6 73 H 0.17644724024165 0.25000000000000 0.28605344990899 1.008 > 7 74 H 0.67644724024165 0.25000000000000 0.28605344990899 1.008 > 7 75 H 0.17644724024165 0.58333333333333 0.28605344990899 1.008 > 7 76 H 0.67644724024165 0.58333333333333 0.28605344990899 1.008 > 7 77 H 0.17644724024165 0.91666666666667 0.28605344990899 1.008 > 7 78 H 0.67644724024165 0.91666666666667 0.28605344990899 1.008 > 7 79 H 0.17644724024165 0.25000000000000 0.78605344990899 1.008 > 7 80 H 0.67644724024165 0.25000000000000 0.78605344990899 1.008 > 7 81 H 0.17644724024165 0.58333333333333 0.78605344990899 1.008 > 7 82 H 0.67644724024165 0.58333333333333 0.78605344990899 1.008 > 7 83 H 0.17644724024165 0.91666666666667 0.78605344990899 1.008 > 7 84 H 0.67644724024165 0.91666666666667 0.78605344990899 1.008 > 7 85 H 0.32355275975835 0.08333333333333 0.21394655009101 1.008 > 8 86 H 0.82355275975835 0.08333333333333 0.21394655009101 1.008 > 8 87 H 0.32355275975835 0.41666666666667 0.21394655009101 1.008 > 8 88 H 0.82355275975835 0.41666666666667 0.21394655009101 1.008 > 8 89 H 0.32355275975835 0.75000000000000 0.21394655009101 1.008 > 8 90 H 0.82355275975835 0.75000000000000 0.21394655009101 1.008 > 8 91 H 0.32355275975835 0.08333333333333 0.71394655009101 1.008 > 8 92 H 0.82355275975835 0.08333333333333 0.71394655009101 1.008 > 8 93 H 0.32355275975835 0.41666666666667 0.71394655009101 1.008 > 8 94 H 0.82355275975835 0.41666666666667 0.71394655009101 1.008 > 8 95 H 0.32355275975835 0.75000000000000 0.71394655009101 1.008 > 8 96 H 0.82355275975835 0.75000000000000 0.71394655009101 1.008 > 8 *97 Sr 0.12997876250932 0.08333333333333 0.19449896097328 87.620 > 9 98 Sr 0.62997876250932 0.08333333333333 0.19449896097328 87.620 > 9 99 Sr 0.12997876250932 0.41666666666667 0.19449896097328 87.620 > 9 100 Sr 0.62997876250932 0.41666666666667 0.19449896097328 87.620 > 9 101 Sr 0.12997876250932 0.75000000000000 0.19449896097328 87.620 > 9 102 Sr 0.62997876250932 0.75000000000000 0.19449896097328 87.620 > 9 103 Sr 0.12997876250932 0.08333333333333 0.69449896097328 87.620 > 9 104 Sr 0.62997876250932 0.08333333333333 0.69449896097328 87.620 > 9 105 Sr 0.12997876250932 0.41666666666667 0.69449896097328 87.620 > 9 106 Sr 0.62997876250932 0.41666666666667 0.69449896097328 87.620 > 9 107 Sr 0.12997876250932 0.75000000000000 0.69449896097328 87.620 > 9 108 Sr 0.62997876250932 0.75000000000000 0.69449896097328 87.620 > 9 109 Sr 0.37002123749068 0.25000000000000 0.30550103902672 87.620 > 10 110 Sr 0.87002123749068 0.25000000000000 0.30550103902672 87.620 > 10 111 Sr 0.37002123749068 0.58333333333333 0.30550103902672 87.620 > 10 112 Sr 0.87002123749068 0.58333333333333 0.30550103902672 87.620 > 10 113 Sr 0.37002123749068 0.91666666666667 0.30550103902672 87.620 > 10 114 Sr 0.87002123749068 0.91666666666667 0.30550103902672 87.620 > 10 115 Sr 0.37002123749068 0.25000000000000 0.80550103902672 87.620 > 10 116 Sr 0.87002123749068 0.25000000000000 0.80550103902672 87.620 > 10 117 Sr 0.37002123749068 0.58333333333333 0.80550103902672 87.620 > 10 118 Sr 0.87002123749068 0.58333333333333 0.80550103902672 87.620 > 10 119 Sr 0.37002123749068 0.91666666666667 0.80550103902672 87.620 > 10 120 Sr 0.87002123749068 0.91666666666667 0.80550103902672 87.620 > 10 121 Sr 0.37997876250932 0.08333333333333 0.05550103902672 87.620 > 11 122 Sr 0.87997876250932 0.08333333333333 0.05550103902672 87.620 > 11 123 Sr 0.37997876250932 0.41666666666667 0.05550103902672 87.620 > 11 124 Sr 0.87997876250932 0.41666666666667 0.05550103902672 87.620 > 11 125 Sr 0.37997876250932 0.75000000000000 0.05550103902672 87.620 > 11 126 Sr 0.87997876250932 0.75000000000000 0.05550103902672 87.620 > 11 127 Sr 0.37997876250932 0.08333333333333 0.55550103902672 87.620 > 11 128 Sr 0.87997876250932 0.08333333333333 0.55550103902672 87.620 > 11 129 Sr 0.37997876250932 0.41666666666667 0.55550103902672 87.620 > 11 130 Sr 0.87997876250932 0.41666666666667 0.55550103902672 87.620 > 11 131 Sr 0.37997876250932 0.75000000000000 0.55550103902672 87.620 > 11 132 Sr 0.87997876250932 0.75000000000000 0.55550103902672 87.620 > 11 133 Sr 0.12002123749068 0.25000000000000 0.44449896097328 87.620 > 12 134 Sr 0.62002123749068 0.25000000000000 0.44449896097328 87.620 > 12 135 Sr 0.12002123749068 0.58333333333333 0.44449896097328 87.620 > 12 136 Sr 0.62002123749068 0.58333333333333 0.44449896097328 87.620 > 12 137 Sr 0.12002123749068 0.91666666666667 0.44449896097328 87.620 > 12 138 Sr 0.62002123749068 0.91666666666667 0.44449896097328 87.620 > 12 139 Sr 0.12002123749068 0.25000000000000 0.94449896097328 87.620 > 12 140 Sr 0.62002123749068 0.25000000000000 0.94449896097328 87.620 > 12 141 Sr 0.12002123749068 0.58333333333333 0.94449896097328 87.620 > 12 142 Sr 0.62002123749068 0.58333333333333 0.94449896097328 87.620 > 12 143 Sr 0.12002123749068 0.91666666666667 0.94449896097328 87.620 > 12 144 Sr 0.62002123749068 0.91666666666667 0.94449896097328 87.620 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3363180 0.0000000 0.0000000 0.0000000 4.2450822 0.0000000 0.0000000 0.0000000 4.5050325 -------------------------- Born effective charges -------------------------- 1 H -0.9661044 0.0000000 -0.0178191 0.0000000 -1.0241486 0.0000000 -0.0534107 0.0000000 -1.0017087 2 H -0.9661044 0.0000000 -0.0178191 0.0000000 -1.0241486 0.0000000 -0.0534107 0.0000000 -1.0017087 3 H -0.9661044 0.0000000 0.0178191 0.0000000 -1.0241486 0.0000000 0.0534107 0.0000000 -1.0017087 4 H -0.9661044 0.0000000 0.0178191 0.0000000 -1.0241486 0.0000000 0.0534107 0.0000000 -1.0017087 5 H -0.9549635 0.0000000 0.0256286 0.0000000 -0.8753470 0.0000000 0.0366161 0.0000000 -0.9971299 6 H -0.9549635 0.0000000 0.0256286 0.0000000 -0.8753470 0.0000000 0.0366161 0.0000000 -0.9971299 7 H -0.9549635 0.0000000 -0.0256286 0.0000000 -0.8753470 0.0000000 -0.0366161 0.0000000 -0.9971299 8 H -0.9549635 0.0000000 -0.0256286 0.0000000 -0.8753470 0.0000000 -0.0366161 0.0000000 -0.9971299 9 Sr 1.9210680 0.0000000 -0.0029287 0.0000000 1.8994956 0.0000000 0.1121918 0.0000000 1.9988386 10 Sr 1.9210680 0.0000000 -0.0029287 0.0000000 1.8994956 0.0000000 0.1121918 0.0000000 1.9988386 11 Sr 1.9210680 0.0000000 0.0029287 0.0000000 1.8994956 0.0000000 -0.1121918 0.0000000 1.9988386 12 Sr 1.9210680 0.0000000 0.0029287 0.0000000 1.8994956 0.0000000 -0.1121918 0.0000000 1.9988386 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.608 Solver_block: 200 / 240 - Time: 1.554 Solver_block: 240 / 240 - Time: 0.691 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.879 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:33:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:37]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.197513920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.794177000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168877420000000 Atomic positions (fractional): 1 H 0.02642225905272 0.25000000000000 0.68318745144604 1.008 2 H 0.97357774094728 0.75000000000000 0.31681254855396 1.008 3 H 0.52642225905272 0.25000000000000 0.81681254855396 1.008 4 H 0.47357774094728 0.75000000000000 0.18318745144604 1.008 5 H 0.85289448048330 0.75000000000000 0.92789310018203 1.008 6 H 0.14710551951670 0.25000000000000 0.07210689981797 1.008 7 H 0.35289448048331 0.75000000000000 0.57210689981797 1.008 8 H 0.64710551951670 0.25000000000000 0.42789310018203 1.008 9 Sr 0.25995752501864 0.25000000000000 0.38899792194656 87.620 10 Sr 0.74004247498136 0.75000000000000 0.61100207805344 87.620 11 Sr 0.75995752501864 0.25000000000000 0.11100207805344 87.620 12 Sr 0.24004247498136 0.75000000000000 0.88899792194656 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.395027839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.382531000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.337754840000001 Atomic positions (fractional): 1 H 0.01321112952636 0.08333333333333 0.34159372572302 1.008 > 1 2 H 0.51321112952636 0.08333333333333 0.34159372572302 1.008 > 1 3 H 0.01321112952636 0.41666666666667 0.34159372572302 1.008 > 1 4 H 0.51321112952636 0.41666666666667 0.34159372572302 1.008 > 1 5 H 0.01321112952636 0.75000000000000 0.34159372572302 1.008 > 1 6 H 0.51321112952636 0.75000000000000 0.34159372572302 1.008 > 1 7 H 0.01321112952636 0.08333333333333 0.84159372572302 1.008 > 1 8 H 0.51321112952636 0.08333333333333 0.84159372572302 1.008 > 1 9 H 0.01321112952636 0.41666666666667 0.84159372572302 1.008 > 1 10 H 0.51321112952636 0.41666666666667 0.84159372572302 1.008 > 1 11 H 0.01321112952636 0.75000000000000 0.84159372572302 1.008 > 1 12 H 0.51321112952636 0.75000000000000 0.84159372572302 1.008 > 1 13 H 0.48678887047364 0.25000000000000 0.15840627427698 1.008 > 13 14 H 0.98678887047364 0.25000000000000 0.15840627427698 1.008 > 13 15 H 0.48678887047364 0.58333333333333 0.15840627427698 1.008 > 13 16 H 0.98678887047364 0.58333333333333 0.15840627427698 1.008 > 13 17 H 0.48678887047364 0.91666666666667 0.15840627427698 1.008 > 13 18 H 0.98678887047364 0.91666666666667 0.15840627427698 1.008 > 13 19 H 0.48678887047364 0.25000000000000 0.65840627427698 1.008 > 13 20 H 0.98678887047364 0.25000000000000 0.65840627427698 1.008 > 13 21 H 0.48678887047364 0.58333333333333 0.65840627427698 1.008 > 13 22 H 0.98678887047364 0.58333333333333 0.65840627427698 1.008 > 13 23 H 0.48678887047364 0.91666666666667 0.65840627427698 1.008 > 13 24 H 0.98678887047364 0.91666666666667 0.65840627427698 1.008 > 13 25 H 0.26321112952636 0.08333333333333 0.40840627427698 1.008 > 25 26 H 0.76321112952636 0.08333333333333 0.40840627427698 1.008 > 25 27 H 0.26321112952636 0.41666666666667 0.40840627427698 1.008 > 25 28 H 0.76321112952636 0.41666666666667 0.40840627427698 1.008 > 25 29 H 0.26321112952636 0.75000000000000 0.40840627427698 1.008 > 25 30 H 0.76321112952636 0.75000000000000 0.40840627427698 1.008 > 25 31 H 0.26321112952636 0.08333333333333 0.90840627427698 1.008 > 25 32 H 0.76321112952636 0.08333333333333 0.90840627427698 1.008 > 25 33 H 0.26321112952636 0.41666666666667 0.90840627427698 1.008 > 25 34 H 0.76321112952636 0.41666666666667 0.90840627427698 1.008 > 25 35 H 0.26321112952636 0.75000000000000 0.90840627427698 1.008 > 25 36 H 0.76321112952636 0.75000000000000 0.90840627427698 1.008 > 25 37 H 0.23678887047364 0.25000000000000 0.09159372572302 1.008 > 37 38 H 0.73678887047364 0.25000000000000 0.09159372572302 1.008 > 37 39 H 0.23678887047364 0.58333333333333 0.09159372572302 1.008 > 37 40 H 0.73678887047364 0.58333333333333 0.09159372572302 1.008 > 37 41 H 0.23678887047364 0.91666666666667 0.09159372572302 1.008 > 37 42 H 0.73678887047364 0.91666666666667 0.09159372572302 1.008 > 37 43 H 0.23678887047364 0.25000000000000 0.59159372572302 1.008 > 37 44 H 0.73678887047364 0.25000000000000 0.59159372572302 1.008 > 37 45 H 0.23678887047364 0.58333333333333 0.59159372572302 1.008 > 37 46 H 0.73678887047364 0.58333333333333 0.59159372572302 1.008 > 37 47 H 0.23678887047364 0.91666666666667 0.59159372572302 1.008 > 37 48 H 0.73678887047364 0.91666666666667 0.59159372572302 1.008 > 37 49 H 0.42644724024165 0.25000000000000 0.46394655009101 1.008 > 49 50 H 0.92644724024165 0.25000000000000 0.46394655009101 1.008 > 49 51 H 0.42644724024165 0.58333333333333 0.46394655009101 1.008 > 49 52 H 0.92644724024165 0.58333333333333 0.46394655009101 1.008 > 49 53 H 0.42644724024165 0.91666666666667 0.46394655009101 1.008 > 49 54 H 0.92644724024165 0.91666666666667 0.46394655009101 1.008 > 49 55 H 0.42644724024165 0.25000000000000 0.96394655009101 1.008 > 49 56 H 0.92644724024165 0.25000000000000 0.96394655009101 1.008 > 49 57 H 0.42644724024165 0.58333333333333 0.96394655009101 1.008 > 49 58 H 0.92644724024165 0.58333333333333 0.96394655009101 1.008 > 49 59 H 0.42644724024165 0.91666666666667 0.96394655009101 1.008 > 49 60 H 0.92644724024165 0.91666666666667 0.96394655009101 1.008 > 49 61 H 0.07355275975835 0.08333333333333 0.03605344990899 1.008 > 61 62 H 0.57355275975835 0.08333333333333 0.03605344990899 1.008 > 61 63 H 0.07355275975835 0.41666666666667 0.03605344990899 1.008 > 61 64 H 0.57355275975835 0.41666666666667 0.03605344990899 1.008 > 61 65 H 0.07355275975835 0.75000000000000 0.03605344990899 1.008 > 61 66 H 0.57355275975835 0.75000000000000 0.03605344990899 1.008 > 61 67 H 0.07355275975835 0.08333333333333 0.53605344990899 1.008 > 61 68 H 0.57355275975835 0.08333333333333 0.53605344990899 1.008 > 61 69 H 0.07355275975835 0.41666666666667 0.53605344990899 1.008 > 61 70 H 0.57355275975835 0.41666666666667 0.53605344990899 1.008 > 61 71 H 0.07355275975835 0.75000000000000 0.53605344990899 1.008 > 61 72 H 0.57355275975835 0.75000000000000 0.53605344990899 1.008 > 61 73 H 0.17644724024165 0.25000000000000 0.28605344990899 1.008 > 73 74 H 0.67644724024165 0.25000000000000 0.28605344990899 1.008 > 73 75 H 0.17644724024165 0.58333333333333 0.28605344990899 1.008 > 73 76 H 0.67644724024165 0.58333333333333 0.28605344990899 1.008 > 73 77 H 0.17644724024165 0.91666666666667 0.28605344990899 1.008 > 73 78 H 0.67644724024165 0.91666666666667 0.28605344990899 1.008 > 73 79 H 0.17644724024165 0.25000000000000 0.78605344990899 1.008 > 73 80 H 0.67644724024165 0.25000000000000 0.78605344990899 1.008 > 73 81 H 0.17644724024165 0.58333333333333 0.78605344990899 1.008 > 73 82 H 0.67644724024165 0.58333333333333 0.78605344990899 1.008 > 73 83 H 0.17644724024165 0.91666666666667 0.78605344990899 1.008 > 73 84 H 0.67644724024165 0.91666666666667 0.78605344990899 1.008 > 73 85 H 0.32355275975835 0.08333333333333 0.21394655009101 1.008 > 85 86 H 0.82355275975835 0.08333333333333 0.21394655009101 1.008 > 85 87 H 0.32355275975835 0.41666666666667 0.21394655009101 1.008 > 85 88 H 0.82355275975835 0.41666666666667 0.21394655009101 1.008 > 85 89 H 0.32355275975835 0.75000000000000 0.21394655009101 1.008 > 85 90 H 0.82355275975835 0.75000000000000 0.21394655009101 1.008 > 85 91 H 0.32355275975835 0.08333333333333 0.71394655009101 1.008 > 85 92 H 0.82355275975835 0.08333333333333 0.71394655009101 1.008 > 85 93 H 0.32355275975835 0.41666666666667 0.71394655009101 1.008 > 85 94 H 0.82355275975835 0.41666666666667 0.71394655009101 1.008 > 85 95 H 0.32355275975835 0.75000000000000 0.71394655009101 1.008 > 85 96 H 0.82355275975835 0.75000000000000 0.71394655009101 1.008 > 85 97 Sr 0.12997876250932 0.08333333333333 0.19449896097328 87.620 > 97 98 Sr 0.62997876250932 0.08333333333333 0.19449896097328 87.620 > 97 99 Sr 0.12997876250932 0.41666666666667 0.19449896097328 87.620 > 97 100 Sr 0.62997876250932 0.41666666666667 0.19449896097328 87.620 > 97 101 Sr 0.12997876250932 0.75000000000000 0.19449896097328 87.620 > 97 102 Sr 0.62997876250932 0.75000000000000 0.19449896097328 87.620 > 97 103 Sr 0.12997876250932 0.08333333333333 0.69449896097328 87.620 > 97 104 Sr 0.62997876250932 0.08333333333333 0.69449896097328 87.620 > 97 105 Sr 0.12997876250932 0.41666666666667 0.69449896097328 87.620 > 97 106 Sr 0.62997876250932 0.41666666666667 0.69449896097328 87.620 > 97 107 Sr 0.12997876250932 0.75000000000000 0.69449896097328 87.620 > 97 108 Sr 0.62997876250932 0.75000000000000 0.69449896097328 87.620 > 97 109 Sr 0.37002123749068 0.25000000000000 0.30550103902672 87.620 > 109 110 Sr 0.87002123749068 0.25000000000000 0.30550103902672 87.620 > 109 111 Sr 0.37002123749068 0.58333333333333 0.30550103902672 87.620 > 109 112 Sr 0.87002123749068 0.58333333333333 0.30550103902672 87.620 > 109 113 Sr 0.37002123749068 0.91666666666667 0.30550103902672 87.620 > 109 114 Sr 0.87002123749068 0.91666666666667 0.30550103902672 87.620 > 109 115 Sr 0.37002123749068 0.25000000000000 0.80550103902672 87.620 > 109 116 Sr 0.87002123749068 0.25000000000000 0.80550103902672 87.620 > 109 117 Sr 0.37002123749068 0.58333333333333 0.80550103902672 87.620 > 109 118 Sr 0.87002123749068 0.58333333333333 0.80550103902672 87.620 > 109 119 Sr 0.37002123749068 0.91666666666667 0.80550103902672 87.620 > 109 120 Sr 0.87002123749068 0.91666666666667 0.80550103902672 87.620 > 109 121 Sr 0.37997876250932 0.08333333333333 0.05550103902672 87.620 > 121 122 Sr 0.87997876250932 0.08333333333333 0.05550103902672 87.620 > 121 123 Sr 0.37997876250932 0.41666666666667 0.05550103902672 87.620 > 121 124 Sr 0.87997876250932 0.41666666666667 0.05550103902672 87.620 > 121 125 Sr 0.37997876250932 0.75000000000000 0.05550103902672 87.620 > 121 126 Sr 0.87997876250932 0.75000000000000 0.05550103902672 87.620 > 121 127 Sr 0.37997876250932 0.08333333333333 0.55550103902672 87.620 > 121 128 Sr 0.87997876250932 0.08333333333333 0.55550103902672 87.620 > 121 129 Sr 0.37997876250932 0.41666666666667 0.55550103902672 87.620 > 121 130 Sr 0.87997876250932 0.41666666666667 0.55550103902672 87.620 > 121 131 Sr 0.37997876250932 0.75000000000000 0.55550103902672 87.620 > 121 132 Sr 0.87997876250932 0.75000000000000 0.55550103902672 87.620 > 121 133 Sr 0.12002123749068 0.25000000000000 0.44449896097328 87.620 > 133 134 Sr 0.62002123749068 0.25000000000000 0.44449896097328 87.620 > 133 135 Sr 0.12002123749068 0.58333333333333 0.44449896097328 87.620 > 133 136 Sr 0.62002123749068 0.58333333333333 0.44449896097328 87.620 > 133 137 Sr 0.12002123749068 0.91666666666667 0.44449896097328 87.620 > 133 138 Sr 0.62002123749068 0.91666666666667 0.44449896097328 87.620 > 133 139 Sr 0.12002123749068 0.25000000000000 0.94449896097328 87.620 > 133 140 Sr 0.62002123749068 0.25000000000000 0.94449896097328 87.620 > 133 141 Sr 0.12002123749068 0.58333333333333 0.94449896097328 87.620 > 133 142 Sr 0.62002123749068 0.58333333333333 0.94449896097328 87.620 > 133 143 Sr 0.12002123749068 0.91666666666667 0.94449896097328 87.620 > 133 144 Sr 0.62002123749068 0.91666666666667 0.94449896097328 87.620 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3363180 0.0000000 0.0000000 0.0000000 4.2450822 0.0000000 0.0000000 0.0000000 4.5050325 -------------------------- Born effective charges -------------------------- 1 H -0.9661044 0.0000000 -0.0178191 0.0000000 -1.0241486 0.0000000 -0.0534107 0.0000000 -1.0017087 2 H -0.9661044 0.0000000 -0.0178191 0.0000000 -1.0241486 0.0000000 -0.0534107 0.0000000 -1.0017087 3 H -0.9661044 0.0000000 0.0178191 0.0000000 -1.0241486 0.0000000 0.0534107 0.0000000 -1.0017087 4 H -0.9661044 0.0000000 0.0178191 0.0000000 -1.0241486 0.0000000 0.0534107 0.0000000 -1.0017087 5 H -0.9549635 0.0000000 0.0256286 0.0000000 -0.8753470 0.0000000 0.0366161 0.0000000 -0.9971299 6 H -0.9549635 0.0000000 0.0256286 0.0000000 -0.8753470 0.0000000 0.0366161 0.0000000 -0.9971299 7 H -0.9549635 0.0000000 -0.0256286 0.0000000 -0.8753470 0.0000000 -0.0366161 0.0000000 -0.9971299 8 H -0.9549635 0.0000000 -0.0256286 0.0000000 -0.8753470 0.0000000 -0.0366161 0.0000000 -0.9971299 9 Sr 1.9210680 0.0000000 -0.0029287 0.0000000 1.8994956 0.0000000 0.1121918 0.0000000 1.9988386 10 Sr 1.9210680 0.0000000 -0.0029287 0.0000000 1.8994956 0.0000000 0.1121918 0.0000000 1.9988386 11 Sr 1.9210680 0.0000000 0.0029287 0.0000000 1.8994956 0.0000000 -0.1121918 0.0000000 1.9988386 12 Sr 1.9210680 0.0000000 0.0029287 0.0000000 1.8994956 0.0000000 -0.1121918 0.0000000 1.9988386 ---------------------------------------------------------------------------- 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[ 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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 05:33:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:53]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.197513920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.794177000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168877420000000 Atomic positions (fractional): 1 H 0.02642225905272 0.25000000000000 0.68318745144604 1.008 2 H 0.97357774094728 0.75000000000000 0.31681254855396 1.008 3 H 0.52642225905272 0.25000000000000 0.81681254855396 1.008 4 H 0.47357774094728 0.75000000000000 0.18318745144604 1.008 5 H 0.85289448048330 0.75000000000000 0.92789310018203 1.008 6 H 0.14710551951670 0.25000000000000 0.07210689981797 1.008 7 H 0.35289448048331 0.75000000000000 0.57210689981797 1.008 8 H 0.64710551951670 0.25000000000000 0.42789310018203 1.008 9 Sr 0.25995752501864 0.25000000000000 0.38899792194656 87.620 10 Sr 0.74004247498136 0.75000000000000 0.61100207805344 87.620 11 Sr 0.75995752501864 0.25000000000000 0.11100207805344 87.620 12 Sr 0.24004247498136 0.75000000000000 0.88899792194656 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.395027839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.382531000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.337754840000001 Atomic positions (fractional): 1 H 0.01321112952636 0.08333333333333 0.34159372572302 1.008 > 1 2 H 0.51321112952636 0.08333333333333 0.34159372572302 1.008 > 1 3 H 0.01321112952636 0.41666666666667 0.34159372572302 1.008 > 1 4 H 0.51321112952636 0.41666666666667 0.34159372572302 1.008 > 1 5 H 0.01321112952636 0.75000000000000 0.34159372572302 1.008 > 1 6 H 0.51321112952636 0.75000000000000 0.34159372572302 1.008 > 1 7 H 0.01321112952636 0.08333333333333 0.84159372572302 1.008 > 1 8 H 0.51321112952636 0.08333333333333 0.84159372572302 1.008 > 1 9 H 0.01321112952636 0.41666666666667 0.84159372572302 1.008 > 1 10 H 0.51321112952636 0.41666666666667 0.84159372572302 1.008 > 1 11 H 0.01321112952636 0.75000000000000 0.84159372572302 1.008 > 1 12 H 0.51321112952636 0.75000000000000 0.84159372572302 1.008 > 1 13 H 0.48678887047364 0.25000000000000 0.15840627427698 1.008 > 13 14 H 0.98678887047364 0.25000000000000 0.15840627427698 1.008 > 13 15 H 0.48678887047364 0.58333333333333 0.15840627427698 1.008 > 13 16 H 0.98678887047364 0.58333333333333 0.15840627427698 1.008 > 13 17 H 0.48678887047364 0.91666666666667 0.15840627427698 1.008 > 13 18 H 0.98678887047364 0.91666666666667 0.15840627427698 1.008 > 13 19 H 0.48678887047364 0.25000000000000 0.65840627427698 1.008 > 13 20 H 0.98678887047364 0.25000000000000 0.65840627427698 1.008 > 13 21 H 0.48678887047364 0.58333333333333 0.65840627427698 1.008 > 13 22 H 0.98678887047364 0.58333333333333 0.65840627427698 1.008 > 13 23 H 0.48678887047364 0.91666666666667 0.65840627427698 1.008 > 13 24 H 0.98678887047364 0.91666666666667 0.65840627427698 1.008 > 13 25 H 0.26321112952636 0.08333333333333 0.40840627427698 1.008 > 25 26 H 0.76321112952636 0.08333333333333 0.40840627427698 1.008 > 25 27 H 0.26321112952636 0.41666666666667 0.40840627427698 1.008 > 25 28 H 0.76321112952636 0.41666666666667 0.40840627427698 1.008 > 25 29 H 0.26321112952636 0.75000000000000 0.40840627427698 1.008 > 25 30 H 0.76321112952636 0.75000000000000 0.40840627427698 1.008 > 25 31 H 0.26321112952636 0.08333333333333 0.90840627427698 1.008 > 25 32 H 0.76321112952636 0.08333333333333 0.90840627427698 1.008 > 25 33 H 0.26321112952636 0.41666666666667 0.90840627427698 1.008 > 25 34 H 0.76321112952636 0.41666666666667 0.90840627427698 1.008 > 25 35 H 0.26321112952636 0.75000000000000 0.90840627427698 1.008 > 25 36 H 0.76321112952636 0.75000000000000 0.90840627427698 1.008 > 25 37 H 0.23678887047364 0.25000000000000 0.09159372572302 1.008 > 37 38 H 0.73678887047364 0.25000000000000 0.09159372572302 1.008 > 37 39 H 0.23678887047364 0.58333333333333 0.09159372572302 1.008 > 37 40 H 0.73678887047364 0.58333333333333 0.09159372572302 1.008 > 37 41 H 0.23678887047364 0.91666666666667 0.09159372572302 1.008 > 37 42 H 0.73678887047364 0.91666666666667 0.09159372572302 1.008 > 37 43 H 0.23678887047364 0.25000000000000 0.59159372572302 1.008 > 37 44 H 0.73678887047364 0.25000000000000 0.59159372572302 1.008 > 37 45 H 0.23678887047364 0.58333333333333 0.59159372572302 1.008 > 37 46 H 0.73678887047364 0.58333333333333 0.59159372572302 1.008 > 37 47 H 0.23678887047364 0.91666666666667 0.59159372572302 1.008 > 37 48 H 0.73678887047364 0.91666666666667 0.59159372572302 1.008 > 37 49 H 0.42644724024165 0.25000000000000 0.46394655009101 1.008 > 49 50 H 0.92644724024165 0.25000000000000 0.46394655009101 1.008 > 49 51 H 0.42644724024165 0.58333333333333 0.46394655009101 1.008 > 49 52 H 0.92644724024165 0.58333333333333 0.46394655009101 1.008 > 49 53 H 0.42644724024165 0.91666666666667 0.46394655009101 1.008 > 49 54 H 0.92644724024165 0.91666666666667 0.46394655009101 1.008 > 49 55 H 0.42644724024165 0.25000000000000 0.96394655009101 1.008 > 49 56 H 0.92644724024165 0.25000000000000 0.96394655009101 1.008 > 49 57 H 0.42644724024165 0.58333333333333 0.96394655009101 1.008 > 49 58 H 0.92644724024165 0.58333333333333 0.96394655009101 1.008 > 49 59 H 0.42644724024165 0.91666666666667 0.96394655009101 1.008 > 49 60 H 0.92644724024165 0.91666666666667 0.96394655009101 1.008 > 49 61 H 0.07355275975835 0.08333333333333 0.03605344990899 1.008 > 61 62 H 0.57355275975835 0.08333333333333 0.03605344990899 1.008 > 61 63 H 0.07355275975835 0.41666666666667 0.03605344990899 1.008 > 61 64 H 0.57355275975835 0.41666666666667 0.03605344990899 1.008 > 61 65 H 0.07355275975835 0.75000000000000 0.03605344990899 1.008 > 61 66 H 0.57355275975835 0.75000000000000 0.03605344990899 1.008 > 61 67 H 0.07355275975835 0.08333333333333 0.53605344990899 1.008 > 61 68 H 0.57355275975835 0.08333333333333 0.53605344990899 1.008 > 61 69 H 0.07355275975835 0.41666666666667 0.53605344990899 1.008 > 61 70 H 0.57355275975835 0.41666666666667 0.53605344990899 1.008 > 61 71 H 0.07355275975835 0.75000000000000 0.53605344990899 1.008 > 61 72 H 0.57355275975835 0.75000000000000 0.53605344990899 1.008 > 61 73 H 0.17644724024165 0.25000000000000 0.28605344990899 1.008 > 73 74 H 0.67644724024165 0.25000000000000 0.28605344990899 1.008 > 73 75 H 0.17644724024165 0.58333333333333 0.28605344990899 1.008 > 73 76 H 0.67644724024165 0.58333333333333 0.28605344990899 1.008 > 73 77 H 0.17644724024165 0.91666666666667 0.28605344990899 1.008 > 73 78 H 0.67644724024165 0.91666666666667 0.28605344990899 1.008 > 73 79 H 0.17644724024165 0.25000000000000 0.78605344990899 1.008 > 73 80 H 0.67644724024165 0.25000000000000 0.78605344990899 1.008 > 73 81 H 0.17644724024165 0.58333333333333 0.78605344990899 1.008 > 73 82 H 0.67644724024165 0.58333333333333 0.78605344990899 1.008 > 73 83 H 0.17644724024165 0.91666666666667 0.78605344990899 1.008 > 73 84 H 0.67644724024165 0.91666666666667 0.78605344990899 1.008 > 73 85 H 0.32355275975835 0.08333333333333 0.21394655009101 1.008 > 85 86 H 0.82355275975835 0.08333333333333 0.21394655009101 1.008 > 85 87 H 0.32355275975835 0.41666666666667 0.21394655009101 1.008 > 85 88 H 0.82355275975835 0.41666666666667 0.21394655009101 1.008 > 85 89 H 0.32355275975835 0.75000000000000 0.21394655009101 1.008 > 85 90 H 0.82355275975835 0.75000000000000 0.21394655009101 1.008 > 85 91 H 0.32355275975835 0.08333333333333 0.71394655009101 1.008 > 85 92 H 0.82355275975835 0.08333333333333 0.71394655009101 1.008 > 85 93 H 0.32355275975835 0.41666666666667 0.71394655009101 1.008 > 85 94 H 0.82355275975835 0.41666666666667 0.71394655009101 1.008 > 85 95 H 0.32355275975835 0.75000000000000 0.71394655009101 1.008 > 85 96 H 0.82355275975835 0.75000000000000 0.71394655009101 1.008 > 85 97 Sr 0.12997876250932 0.08333333333333 0.19449896097328 87.620 > 97 98 Sr 0.62997876250932 0.08333333333333 0.19449896097328 87.620 > 97 99 Sr 0.12997876250932 0.41666666666667 0.19449896097328 87.620 > 97 100 Sr 0.62997876250932 0.41666666666667 0.19449896097328 87.620 > 97 101 Sr 0.12997876250932 0.75000000000000 0.19449896097328 87.620 > 97 102 Sr 0.62997876250932 0.75000000000000 0.19449896097328 87.620 > 97 103 Sr 0.12997876250932 0.08333333333333 0.69449896097328 87.620 > 97 104 Sr 0.62997876250932 0.08333333333333 0.69449896097328 87.620 > 97 105 Sr 0.12997876250932 0.41666666666667 0.69449896097328 87.620 > 97 106 Sr 0.62997876250932 0.41666666666667 0.69449896097328 87.620 > 97 107 Sr 0.12997876250932 0.75000000000000 0.69449896097328 87.620 > 97 108 Sr 0.62997876250932 0.75000000000000 0.69449896097328 87.620 > 97 109 Sr 0.37002123749068 0.25000000000000 0.30550103902672 87.620 > 109 110 Sr 0.87002123749068 0.25000000000000 0.30550103902672 87.620 > 109 111 Sr 0.37002123749068 0.58333333333333 0.30550103902672 87.620 > 109 112 Sr 0.87002123749068 0.58333333333333 0.30550103902672 87.620 > 109 113 Sr 0.37002123749068 0.91666666666667 0.30550103902672 87.620 > 109 114 Sr 0.87002123749068 0.91666666666667 0.30550103902672 87.620 > 109 115 Sr 0.37002123749068 0.25000000000000 0.80550103902672 87.620 > 109 116 Sr 0.87002123749068 0.25000000000000 0.80550103902672 87.620 > 109 117 Sr 0.37002123749068 0.58333333333333 0.80550103902672 87.620 > 109 118 Sr 0.87002123749068 0.58333333333333 0.80550103902672 87.620 > 109 119 Sr 0.37002123749068 0.91666666666667 0.80550103902672 87.620 > 109 120 Sr 0.87002123749068 0.91666666666667 0.80550103902672 87.620 > 109 121 Sr 0.37997876250932 0.08333333333333 0.05550103902672 87.620 > 121 122 Sr 0.87997876250932 0.08333333333333 0.05550103902672 87.620 > 121 123 Sr 0.37997876250932 0.41666666666667 0.05550103902672 87.620 > 121 124 Sr 0.87997876250932 0.41666666666667 0.05550103902672 87.620 > 121 125 Sr 0.37997876250932 0.75000000000000 0.05550103902672 87.620 > 121 126 Sr 0.87997876250932 0.75000000000000 0.05550103902672 87.620 > 121 127 Sr 0.37997876250932 0.08333333333333 0.55550103902672 87.620 > 121 128 Sr 0.87997876250932 0.08333333333333 0.55550103902672 87.620 > 121 129 Sr 0.37997876250932 0.41666666666667 0.55550103902672 87.620 > 121 130 Sr 0.87997876250932 0.41666666666667 0.55550103902672 87.620 > 121 131 Sr 0.37997876250932 0.75000000000000 0.55550103902672 87.620 > 121 132 Sr 0.87997876250932 0.75000000000000 0.55550103902672 87.620 > 121 133 Sr 0.12002123749068 0.25000000000000 0.44449896097328 87.620 > 133 134 Sr 0.62002123749068 0.25000000000000 0.44449896097328 87.620 > 133 135 Sr 0.12002123749068 0.58333333333333 0.44449896097328 87.620 > 133 136 Sr 0.62002123749068 0.58333333333333 0.44449896097328 87.620 > 133 137 Sr 0.12002123749068 0.91666666666667 0.44449896097328 87.620 > 133 138 Sr 0.62002123749068 0.91666666666667 0.44449896097328 87.620 > 133 139 Sr 0.12002123749068 0.25000000000000 0.94449896097328 87.620 > 133 140 Sr 0.62002123749068 0.25000000000000 0.94449896097328 87.620 > 133 141 Sr 0.12002123749068 0.58333333333333 0.94449896097328 87.620 > 133 142 Sr 0.62002123749068 0.58333333333333 0.94449896097328 87.620 > 133 143 Sr 0.12002123749068 0.91666666666667 0.94449896097328 87.620 > 133 144 Sr 0.62002123749068 0.91666666666667 0.94449896097328 87.620 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3363180 0.0000000 0.0000000 0.0000000 4.2450822 0.0000000 0.0000000 0.0000000 4.5050325 -------------------------- Born effective charges -------------------------- 1 H -0.9661044 0.0000000 -0.0178191 0.0000000 -1.0241486 0.0000000 -0.0534107 0.0000000 -1.0017087 2 H -0.9661044 0.0000000 -0.0178191 0.0000000 -1.0241486 0.0000000 -0.0534107 0.0000000 -1.0017087 3 H -0.9661044 0.0000000 0.0178191 0.0000000 -1.0241486 0.0000000 0.0534107 0.0000000 -1.0017087 4 H -0.9661044 0.0000000 0.0178191 0.0000000 -1.0241486 0.0000000 0.0534107 0.0000000 -1.0017087 5 H -0.9549635 0.0000000 0.0256286 0.0000000 -0.8753470 0.0000000 0.0366161 0.0000000 -0.9971299 6 H -0.9549635 0.0000000 0.0256286 0.0000000 -0.8753470 0.0000000 0.0366161 0.0000000 -0.9971299 7 H -0.9549635 0.0000000 -0.0256286 0.0000000 -0.8753470 0.0000000 -0.0366161 0.0000000 -0.9971299 8 H -0.9549635 0.0000000 -0.0256286 0.0000000 -0.8753470 0.0000000 -0.0366161 0.0000000 -0.9971299 9 Sr 1.9210680 0.0000000 -0.0029287 0.0000000 1.8994956 0.0000000 0.1121918 0.0000000 1.9988386 10 Sr 1.9210680 0.0000000 -0.0029287 0.0000000 1.8994956 0.0000000 0.1121918 0.0000000 1.9988386 11 Sr 1.9210680 0.0000000 0.0029287 0.0000000 1.8994956 0.0000000 -0.1121918 0.0000000 1.9988386 12 Sr 1.9210680 0.0000000 0.0029287 0.0000000 1.8994956 0.0000000 -0.1121918 0.0000000 1.9988386 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 13 7 ] 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: 0.75, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 17.701 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 18.538 ( 0.000 0.000 0.000) 0.000 19.250 ( 0.000 0.000 0.000) 0.000 19.252 ( 0.000 0.000 0.000) 0.000 19.703 ( 0.000 0.000 0.000) 0.000 20.191 ( 0.000 0.000 0.000) 0.000 20.458 ( 0.000 0.000 0.000) 0.000 21.236 ( 0.000 0.000 0.000) 0.000 21.754 ( 0.000 0.000 0.000) 0.000 23.563 ( 0.000 0.000 0.000) 0.000 24.523 ( 0.000 0.000 0.000) 0.000 26.171 ( 0.000 0.000 0.000) 0.000 26.543 ( 0.000 0.000 0.000) 0.000 27.567 ( 0.000 0.000 0.000) 0.000 27.620 ( 0.000 0.000 0.000) 0.000 28.487 ( 0.000 0.000 0.000) 0.000 28.588 ( 0.000 0.000 0.000) 0.000 29.190 ( 0.000 0.000 0.000) 0.000 29.782 ( 0.000 0.000 0.000) 0.000 30.360 ( 0.000 0.000 0.000) 0.000 31.359 ( 0.000 0.000 0.000) 0.000 32.415 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 27.285 0.000 0.000) 27.285 0.579 ( 28.210 0.000 0.000) 28.210 0.872 ( 42.626 0.000 0.000) 42.626 2.496 ( 3.668 0.000 0.000) 3.668 2.827 ( -4.459 0.000 0.000) 4.459 2.852 ( -5.683 0.000 0.000) 5.683 3.456 ( -3.060 0.000 0.000) 3.060 3.480 ( -15.002 0.000 0.000) 15.002 3.706 ( -12.286 0.000 0.000) 12.286 4.661 ( 10.078 0.000 0.000) 10.078 4.870 ( 8.928 0.000 0.000) 8.928 5.146 ( -10.598 0.000 0.000) 10.598 17.217 ( 1.597 0.000 0.000) 1.597 18.130 ( -7.251 0.000 0.000) 7.251 18.374 ( -1.704 0.000 0.000) 1.704 18.508 ( -2.829 0.000 0.000) 2.829 19.275 ( 2.356 0.000 0.000) 2.356 19.307 ( 5.639 0.000 0.000) 5.639 20.142 ( -4.732 0.000 0.000) 4.732 20.477 ( 1.896 0.000 0.000) 1.896 21.169 ( -6.955 0.000 0.000) 6.955 21.560 ( -16.539 0.000 0.000) 16.539 23.579 ( 7.023 0.000 0.000) 7.023 23.701 ( 11.600 0.000 0.000) 11.600 26.169 ( -0.128 0.000 0.000) 0.128 26.517 ( -2.487 0.000 0.000) 2.487 27.593 ( 2.572 0.000 0.000) 2.572 27.729 ( 10.434 0.000 0.000) 10.434 28.360 ( -8.073 0.000 0.000) 8.073 28.709 ( 7.413 0.000 0.000) 7.413 29.183 ( -0.702 0.000 0.000) 0.702 29.339 ( -3.877 0.000 0.000) 3.877 29.794 ( 1.213 0.000 0.000) 1.213 30.306 ( -4.851 0.000 0.000) 4.851 31.447 ( 8.158 0.000 0.000) 8.158 32.533 ( -2.054 0.000 0.000) 2.054 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 25.711 0.000 0.000) 25.711 1.127 ( 25.847 0.000 0.000) 25.847 1.698 ( 38.259 0.000 0.000) 38.259 2.554 ( -1.890 0.000 0.000) 1.890 2.693 ( -9.232 0.000 0.000) 9.232 2.738 ( -0.625 0.000 0.000) 0.625 3.157 ( -15.375 0.000 0.000) 15.375 3.365 ( -5.911 0.000 0.000) 5.911 3.436 ( -12.927 0.000 0.000) 12.927 4.692 ( -15.731 0.000 0.000) 15.731 5.001 ( 4.276 0.000 0.000) 4.276 5.054 ( 8.360 0.000 0.000) 8.360 17.268 ( 3.508 0.000 0.000) 3.508 17.939 ( -11.035 0.000 0.000) 11.035 18.332 ( -2.180 0.000 0.000) 2.180 18.434 ( -4.211 0.000 0.000) 4.211 19.348 ( 4.805 0.000 0.000) 4.805 19.473 ( 10.665 0.000 0.000) 10.665 20.009 ( -8.168 0.000 0.000) 8.168 20.536 ( 4.036 0.000 0.000) 4.036 20.917 ( -18.608 0.000 0.000) 18.608 21.229 ( -13.721 0.000 0.000) 13.721 23.762 ( 10.394 0.000 0.000) 10.394 23.941 ( 10.634 0.000 0.000) 10.634 26.173 ( 0.698 0.000 0.000) 0.698 26.448 ( -4.226 0.000 0.000) 4.226 27.667 ( 4.578 0.000 0.000) 4.578 28.013 ( 16.917 0.000 0.000) 16.917 28.197 ( -7.926 0.000 0.000) 7.926 28.851 ( 6.527 0.000 0.000) 6.527 29.161 ( -1.502 0.000 0.000) 1.502 29.221 ( -7.884 0.000 0.000) 7.884 29.829 ( 2.217 0.000 0.000) 2.217 30.189 ( -6.281 0.000 0.000) 6.281 31.659 ( 12.118 0.000 0.000) 12.118 32.466 ( -4.646 0.000 0.000) 4.646 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 23.075 0.000 0.000) 23.075 1.611 ( 21.865 0.000 0.000) 21.865 2.218 ( 2.113 0.000 0.000) 2.113 2.361 ( -14.394 0.000 0.000) 14.394 2.639 ( 11.867 0.000 0.000) 11.867 2.851 ( 8.788 0.000 0.000) 8.788 2.907 ( -8.612 0.000 0.000) 8.612 3.221 ( -8.223 0.000 0.000) 8.223 3.264 ( -0.247 0.000 0.000) 0.247 4.205 ( -28.926 0.000 0.000) 28.926 5.139 ( 6.119 0.000 0.000) 6.119 5.183 ( 4.133 0.000 0.000) 4.133 17.362 ( 5.944 0.000 0.000) 5.944 17.711 ( -10.992 0.000 0.000) 10.992 18.298 ( -0.969 0.000 0.000) 0.969 18.352 ( -3.540 0.000 0.000) 3.540 19.469 ( 7.221 0.000 0.000) 7.221 19.733 ( 14.983 0.000 0.000) 14.983 19.826 ( -9.598 0.000 0.000) 9.598 20.489 ( -21.817 0.000 0.000) 21.817 20.643 ( 6.562 0.000 0.000) 6.562 20.995 ( -10.390 0.000 0.000) 10.390 23.965 ( 8.928 0.000 0.000) 8.928 24.093 ( 3.951 0.000 0.000) 3.951 26.202 ( 2.291 0.000 0.000) 2.291 26.355 ( -4.727 0.000 0.000) 4.727 27.773 ( 5.874 0.000 0.000) 5.874 28.043 ( -7.364 0.000 0.000) 7.364 28.377 ( 18.407 0.000 0.000) 18.407 28.969 ( 5.149 0.000 0.000) 5.149 29.019 ( -12.190 0.000 0.000) 12.190 29.121 ( -2.496 0.000 0.000) 2.496 29.884 ( 3.278 0.000 0.000) 3.278 30.066 ( -5.708 0.000 0.000) 5.708 31.913 ( 12.623 0.000 0.000) 12.623 32.341 ( -7.799 0.000 0.000) 7.799 ======================= Grid point 4 (5/140) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -16.538 0.000 0.000) 16.538 2.001 ( 16.538 0.000 0.000) 16.538 2.017 ( -19.391 0.000 0.000) 19.391 2.017 ( 19.391 0.000 0.000) 19.391 2.809 ( -2.639 0.000 0.000) 2.639 2.809 ( 2.639 0.000 0.000) 2.639 3.040 ( -9.489 0.000 0.000) 9.489 3.040 ( 9.489 0.000 0.000) 9.489 3.597 ( -28.934 0.000 0.000) 28.934 3.597 ( 28.934 0.000 0.000) 28.934 5.214 ( -1.146 0.000 0.000) 1.146 5.214 ( 1.146 0.000 0.000) 1.146 17.510 ( -8.739 0.000 0.000) 8.739 17.510 ( 8.739 0.000 0.000) 8.739 18.301 ( -1.371 0.000 0.000) 1.371 18.301 ( 1.371 0.000 0.000) 1.371 19.635 ( -9.077 0.000 0.000) 9.077 19.635 ( 9.077 0.000 0.000) 9.077 20.075 ( -18.898 0.000 0.000) 18.898 20.075 ( 18.898 0.000 0.000) 18.898 20.800 ( -8.888 0.000 0.000) 8.888 20.800 ( 8.888 0.000 0.000) 8.888 24.096 ( -3.506 0.000 0.000) 3.506 24.096 ( 3.506 0.000 0.000) 3.506 26.266 ( -3.922 0.000 0.000) 3.922 26.266 ( 3.922 0.000 0.000) 3.922 27.900 ( -6.705 0.000 0.000) 6.705 27.900 ( 6.705 0.000 0.000) 6.705 28.731 ( -16.188 0.000 0.000) 16.188 28.731 ( 16.188 0.000 0.000) 16.188 29.059 ( -3.732 0.000 0.000) 3.732 29.059 ( 3.732 0.000 0.000) 3.732 29.962 ( -4.508 0.000 0.000) 4.508 29.962 ( 4.508 0.000 0.000) 4.508 32.152 ( -10.826 0.000 0.000) 10.826 32.152 ( 10.826 0.000 0.000) 10.826 ======================= Grid point 9 (6/140) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 26.738 0.000) 26.738 0.560 ( 0.000 27.342 0.000) 27.342 0.968 ( 0.000 46.424 0.000) 46.424 2.578 ( 0.000 11.430 0.000) 11.430 2.943 ( 0.000 3.431 0.000) 3.431 3.001 ( 0.000 11.808 0.000) 11.808 3.600 ( 0.000 10.656 0.000) 10.656 3.665 ( 0.000 0.534 0.000) 0.534 3.834 ( 0.000 -1.596 0.000) 1.596 4.497 ( 0.000 -2.941 0.000) 2.941 4.679 ( 0.000 -3.660 0.000) 3.660 5.227 ( 0.000 -3.216 0.000) 3.216 17.229 ( 0.000 2.742 0.000) 2.742 17.666 ( 0.000 -3.086 0.000) 3.086 18.543 ( 0.000 0.500 0.000) 0.500 19.204 ( 0.000 -4.541 0.000) 4.541 19.267 ( 0.000 1.835 0.000) 1.835 19.851 ( 0.000 13.817 0.000) 13.817 20.021 ( 0.000 -14.671 0.000) 14.671 20.474 ( 0.000 1.679 0.000) 1.679 21.240 ( 0.000 0.054 0.000) 0.054 21.861 ( 0.000 8.322 0.000) 8.322 23.363 ( 0.000 -18.847 0.000) 18.847 24.187 ( 0.000 -4.227 0.000) 4.227 24.541 ( 0.000 1.709 0.000) 1.709 26.099 ( 0.000 -5.962 0.000) 5.962 26.498 ( 0.000 -4.321 0.000) 4.321 27.209 ( 0.000 -33.237 0.000) 33.237 27.727 ( 0.000 14.071 0.000) 14.071 28.560 ( 0.000 7.042 0.000) 7.042 29.482 ( 0.000 21.869 0.000) 21.869 29.776 ( 0.000 -0.533 0.000) 0.533 30.329 ( 0.000 -2.636 0.000) 2.636 31.306 ( 0.000 -5.043 0.000) 5.043 31.962 ( 0.000 -3.568 0.000) 3.568 32.314 ( 0.000 -9.691 0.000) 9.691 ======================= Grid point 10 (7/140) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 17.885 17.434 0.000) 24.976 0.781 ( 20.466 17.722 0.000) 27.073 1.319 ( 28.391 34.638 0.000) 44.787 2.619 ( 3.733 11.517 0.000) 12.107 2.880 ( -5.947 3.173 0.000) 6.741 2.951 ( -4.797 11.462 0.000) 12.425 3.485 ( -14.728 0.713 0.000) 14.745 3.539 ( -6.716 6.037 0.000) 9.030 3.714 ( -8.599 2.855 0.000) 9.061 4.630 ( 9.883 -3.026 0.000) 10.335 4.816 ( 10.140 -4.462 0.000) 11.078 5.119 ( -10.047 -2.693 0.000) 10.401 17.247 ( 1.791 2.926 0.000) 3.431 17.746 ( 4.487 -10.850 0.000) 11.742 18.513 ( -2.846 0.465 0.000) 2.884 18.835 ( -22.480 8.435 0.000) 24.010 19.340 ( 4.099 3.011 0.000) 5.086 19.603 ( -7.147 26.319 0.000) 27.272 19.971 ( -4.753 -14.736 0.000) 15.483 20.549 ( 3.028 5.385 0.000) 6.178 21.163 ( -8.072 -1.043 0.000) 8.139 21.679 ( -15.291 9.610 0.000) 18.060 23.491 ( 10.602 -19.936 0.000) 22.580 23.540 ( -6.205 -3.802 0.000) 7.277 26.081 ( 33.458 -49.437 0.000) 59.694 26.101 ( 0.216 -5.615 0.000) 5.619 26.767 ( 38.362 -27.780 0.000) 47.364 27.302 ( 8.593 -32.633 0.000) 33.746 27.764 ( 3.675 13.500 0.000) 13.991 28.547 ( -1.280 6.947 0.000) 7.064 29.492 ( 1.008 22.900 0.000) 22.922 29.786 ( 1.010 -0.475 0.000) 1.116 30.278 ( -4.606 -2.410 0.000) 5.198 31.117 ( -48.061 47.761 0.000) 67.757 31.390 ( 7.803 -5.409 0.000) 9.495 32.388 ( 0.035 -12.850 0.000) 12.850 ======================= Grid point 11 (8/140) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 23.979 8.283 0.000) 25.370 1.235 ( 23.045 10.368 0.000) 25.270 1.949 ( 31.408 22.586 0.000) 38.686 2.678 ( -1.956 11.616 0.000) 11.780 2.718 ( -9.157 2.725 0.000) 9.554 2.843 ( -2.584 9.154 0.000) 9.512 3.180 ( -13.426 2.846 0.000) 13.724 3.336 ( -11.361 -2.020 0.000) 11.539 3.562 ( -6.935 11.400 0.000) 13.344 4.664 ( -14.428 -2.698 0.000) 14.678 4.980 ( 3.642 -2.005 0.000) 4.158 5.014 ( 8.646 -3.924 0.000) 9.495 17.302 ( 3.801 3.399 0.000) 5.099 17.779 ( -1.475 -8.862 0.000) 8.984 18.439 ( -4.201 0.435 0.000) 4.223 18.500 ( -11.393 9.040 0.000) 14.544 19.439 ( 4.725 5.458 0.000) 7.219 19.555 ( 2.290 10.046 0.000) 10.304 19.844 ( -7.392 -14.218 0.000) 16.025 20.617 ( 4.397 7.408 0.000) 8.614 20.891 ( -18.668 -2.884 0.000) 18.889 21.369 ( -13.734 11.912 0.000) 18.180 23.597 ( 7.486 -16.054 0.000) 17.714 23.707 ( 9.489 -22.439 0.000) 24.363 26.111 ( 0.856 -4.973 0.000) 5.046 26.248 ( -0.374 -18.683 0.000) 18.687 27.478 ( 23.027 -44.620 0.000) 50.211 27.510 ( 10.569 -29.049 0.000) 30.912 27.883 ( 8.326 9.241 0.000) 12.438 28.509 ( -2.498 4.811 0.000) 5.420 29.526 ( 2.469 26.013 0.000) 26.130 29.816 ( 1.934 -0.091 0.000) 1.936 30.166 ( -5.955 -1.932 0.000) 6.261 30.390 ( -25.789 51.123 0.000) 57.260 31.592 ( 11.565 -6.316 0.000) 13.178 32.346 ( -3.861 -11.427 0.000) 12.062 ======================= Grid point 12 (9/140) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 22.498 5.742 0.000) 23.220 1.676 ( 20.142 6.379 0.000) 21.128 2.325 ( -3.756 10.365 0.000) 11.025 2.475 ( -14.646 10.305 0.000) 17.908 2.694 ( 11.937 5.601 0.000) 13.186 2.834 ( -3.266 0.732 0.000) 3.347 3.060 ( 3.785 12.439 0.000) 13.002 3.191 ( 1.636 -0.415 0.000) 1.688 3.417 ( -6.836 12.470 0.000) 14.221 4.203 ( -27.617 -0.090 0.000) 27.617 5.109 ( 5.862 -2.838 0.000) 6.513 5.147 ( 4.288 -3.585 0.000) 5.589 17.401 ( 5.999 3.770 0.000) 7.086 17.692 ( -6.634 -1.370 0.000) 6.774 18.349 ( -4.093 4.431 0.000) 6.032 18.359 ( -3.348 0.655 0.000) 3.411 19.496 ( 2.391 2.782 0.000) 3.668 19.693 ( -7.181 -11.659 0.000) 13.693 19.724 ( 13.067 -1.278 0.000) 13.130 20.466 ( -21.928 -2.863 0.000) 22.114 20.737 ( 7.510 8.887 0.000) 11.635 21.125 ( -11.042 11.635 0.000) 16.041 23.757 ( 7.214 -20.627 0.000) 21.852 23.845 ( 3.856 -23.977 0.000) 24.285 26.135 ( 1.516 -5.247 0.000) 5.462 26.215 ( -2.182 -11.729 0.000) 11.931 27.686 ( 6.540 -21.435 0.000) 22.411 27.746 ( 5.768 -30.709 0.000) 31.246 28.092 ( 11.528 -0.714 0.000) 11.550 28.439 ( -4.709 -0.823 0.000) 4.780 29.599 ( 4.988 31.047 0.000) 31.445 29.858 ( 1.410 5.010 0.000) 5.205 30.000 ( -13.416 38.191 0.000) 40.479 30.050 ( -5.366 -1.435 0.000) 5.555 31.834 ( 11.969 -7.513 0.000) 14.132 32.235 ( -7.111 -10.154 0.000) 12.397 ======================= Grid point 13 (10/140) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -2.411 0.970 0.000) 2.599 1.986 ( 2.411 0.970 0.000) 2.599 2.184 ( -6.060 13.067 0.000) 14.404 2.184 ( 6.060 13.067 0.000) 14.404 2.788 ( -0.264 -0.299 0.000) 0.399 2.788 ( 0.264 -0.299 0.000) 0.399 3.206 ( -7.894 14.053 0.000) 16.119 3.206 ( 7.894 14.053 0.000) 16.119 3.620 ( -27.996 2.462 0.000) 28.104 3.620 ( 27.996 2.462 0.000) 28.104 5.181 ( -0.974 -3.263 0.000) 3.405 5.181 ( 0.974 -3.263 0.000) 3.405 17.541 ( -7.641 2.914 0.000) 8.177 17.541 ( 7.641 2.914 0.000) 8.177 18.317 ( -0.552 1.626 0.000) 1.717 18.317 ( 0.552 1.626 0.000) 1.717 19.568 ( -4.941 -5.965 0.000) 7.745 19.568 ( 4.941 -5.965 0.000) 7.745 20.049 ( -18.806 -2.725 0.000) 19.003 20.049 ( 18.806 -2.725 0.000) 19.003 20.914 ( -9.787 10.512 0.000) 14.363 20.914 ( 9.787 10.512 0.000) 14.363 23.858 ( -2.427 -23.272 0.000) 23.398 23.858 ( 2.427 -23.272 0.000) 23.398 26.171 ( -2.043 -7.484 0.000) 7.757 26.171 ( 2.043 -7.484 0.000) 7.757 27.774 ( -2.050 -21.304 0.000) 21.403 27.774 ( 2.050 -21.304 0.000) 21.403 28.305 ( -8.842 -4.711 0.000) 10.019 28.305 ( 8.842 -4.711 0.000) 10.019 29.736 ( -8.717 36.650 0.000) 37.673 29.736 ( 8.717 36.650 0.000) 37.673 29.956 ( -3.834 -0.477 0.000) 3.863 29.956 ( 3.834 -0.477 0.000) 3.863 32.060 ( -10.137 -8.834 0.000) 13.446 32.060 ( 10.137 -8.834 0.000) 13.446 ======================= Grid point 18 (11/140) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 27.521 0.000) 27.521 1.103 ( 0.000 26.067 0.000) 26.067 1.846 ( 0.000 38.852 0.000) 38.852 2.881 ( 0.000 17.253 0.000) 17.253 3.067 ( 0.000 9.646 0.000) 9.646 3.302 ( 0.000 16.268 0.000) 16.268 3.695 ( 0.000 3.157 0.000) 3.157 3.786 ( 0.000 -3.065 0.000) 3.065 3.884 ( 0.000 16.169 0.000) 16.169 4.413 ( 0.000 -5.099 0.000) 5.099 4.576 ( 0.000 -6.028 0.000) 6.028 5.133 ( 0.000 -5.934 0.000) 5.934 17.314 ( 0.000 5.685 0.000) 5.685 17.601 ( 0.000 -2.735 0.000) 2.735 18.554 ( 0.000 0.478 0.000) 0.478 19.066 ( 0.000 -8.993 0.000) 8.993 19.338 ( 0.000 5.377 0.000) 5.377 19.687 ( 0.000 -16.684 0.000) 16.684 20.224 ( 0.000 22.057 0.000) 22.057 20.530 ( 0.000 3.843 0.000) 3.843 21.209 ( 0.000 -4.178 0.000) 4.178 21.983 ( 0.000 1.520 0.000) 1.520 22.864 ( 0.000 -28.208 0.000) 28.208 24.049 ( 0.000 -9.544 0.000) 9.544 24.589 ( 0.000 2.981 0.000) 2.981 25.973 ( 0.000 -5.949 0.000) 5.949 26.371 ( 0.000 -8.080 0.000) 8.080 26.503 ( 0.000 -33.001 0.000) 33.001 28.056 ( 0.000 16.727 0.000) 16.727 28.762 ( 0.000 12.541 0.000) 12.541 29.762 ( 0.000 -0.751 0.000) 0.751 29.843 ( 0.000 8.994 0.000) 8.994 30.312 ( 0.000 3.996 0.000) 3.996 31.170 ( 0.000 -7.927 0.000) 7.927 31.856 ( 0.000 -6.850 0.000) 6.850 32.038 ( 0.000 -16.995 0.000) 16.995 ======================= Grid point 19 (12/140) ======================= q-point: ( 0.12 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 6.869 22.076 0.000) 23.120 1.217 ( 12.264 23.919 0.000) 26.879 2.055 ( 18.443 34.788 0.000) 39.374 2.925 ( 3.990 17.485 0.000) 17.935 3.000 ( -6.529 9.453 0.000) 11.488 3.231 ( -7.391 13.816 0.000) 15.668 3.529 ( -12.634 4.893 0.000) 13.549 3.574 ( -14.343 -1.646 0.000) 14.437 3.924 ( -0.358 16.139 0.000) 16.143 4.544 ( 9.390 -5.126 0.000) 10.698 4.699 ( 9.900 -7.074 0.000) 12.167 5.041 ( -8.349 -4.812 0.000) 9.636 17.336 ( 2.206 5.888 0.000) 6.288 17.619 ( 1.748 -3.278 0.000) 3.715 18.522 ( -3.012 0.285 0.000) 3.026 18.882 ( -13.779 -0.965 0.000) 13.813 19.378 ( 3.446 1.243 0.000) 3.663 19.634 ( -4.887 -16.961 0.000) 17.651 20.120 ( -9.309 24.478 0.000) 26.188 20.653 ( 8.253 4.973 0.000) 9.635 21.100 ( -10.877 -6.055 0.000) 12.449 21.855 ( -10.560 5.999 0.000) 12.145 22.950 ( 6.915 -31.498 0.000) 32.249 23.421 ( -25.799 -8.114 0.000) 27.045 25.394 ( 38.406 -18.331 0.000) 42.556 25.983 ( 1.074 -5.483 0.000) 5.587 26.495 ( 13.378 -10.261 0.000) 16.860 26.614 ( 10.248 -31.916 0.000) 33.521 28.084 ( 2.825 16.445 0.000) 16.686 28.749 ( -1.405 12.478 0.000) 12.557 29.774 ( 1.168 -0.634 0.000) 1.329 29.868 ( 2.445 9.001 0.000) 9.327 30.268 ( -3.828 4.971 0.000) 6.274 31.244 ( 6.858 -8.499 0.000) 10.921 31.576 ( -22.458 6.951 0.000) 23.509 32.059 ( 0.078 -18.909 0.000) 18.909 ======================= Grid point 20 (13/140) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 16.823 12.851 0.000) 21.170 1.525 ( 17.052 17.492 0.000) 24.428 2.495 ( 22.913 27.633 0.000) 35.897 2.819 ( -10.498 7.907 0.000) 13.143 2.973 ( -8.527 13.592 0.000) 16.045 3.030 ( -4.494 10.043 0.000) 11.002 3.301 ( -11.370 -0.593 0.000) 11.385 3.322 ( -5.326 11.978 0.000) 13.109 3.868 ( -4.893 17.920 0.000) 18.575 4.590 ( -10.741 -4.353 0.000) 11.590 4.900 ( 9.036 -7.197 0.000) 11.552 4.925 ( 2.176 -3.188 0.000) 3.860 17.402 ( 4.354 6.339 0.000) 7.690 17.661 ( 1.942 -2.989 0.000) 3.564 18.447 ( -4.032 0.238 0.000) 4.039 18.626 ( -10.795 4.104 0.000) 11.549 19.478 ( 6.669 -1.043 0.000) 6.750 19.514 ( -6.235 -16.952 0.000) 18.062 19.870 ( -14.543 18.454 0.000) 23.496 20.784 ( -19.515 -8.067 0.000) 21.117 20.805 ( 7.361 10.395 0.000) 12.738 21.628 ( -11.239 12.072 0.000) 16.494 23.087 ( 5.878 -36.783 0.000) 37.250 23.156 ( -3.503 -25.572 0.000) 25.810 25.856 ( 11.101 -15.737 0.000) 19.258 26.014 ( 1.736 -4.144 0.000) 4.493 26.867 ( 13.497 -30.034 0.000) 32.927 26.867 ( 19.235 -20.363 0.000) 28.011 28.168 ( 5.471 15.602 0.000) 16.533 28.700 ( -3.573 12.293 0.000) 12.802 29.809 ( 2.223 -0.415 0.000) 2.261 29.938 ( 4.172 7.104 0.000) 8.238 30.183 ( -3.793 9.509 0.000) 10.237 31.096 ( -23.068 20.439 0.000) 30.820 31.420 ( 10.013 -10.064 0.000) 14.197 32.033 ( -2.559 -18.486 0.000) 18.662 ======================= Grid point 21 (14/140) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 18.423 5.714 0.000) 19.289 1.858 ( 14.628 10.953 0.000) 18.274 2.588 ( -9.043 13.624 0.000) 16.352 2.701 ( -13.053 9.232 0.000) 15.988 2.847 ( 3.061 7.491 0.000) 8.092 2.919 ( -8.310 8.899 0.000) 12.176 3.255 ( 13.610 9.301 0.000) 16.485 3.371 ( 7.875 17.258 0.000) 18.970 3.737 ( -7.789 18.241 0.000) 19.834 4.211 ( -23.234 1.366 0.000) 23.274 5.030 ( 4.999 -4.792 0.000) 6.925 5.042 ( 4.769 -6.637 0.000) 8.173 17.506 ( 5.718 6.279 0.000) 8.493 17.676 ( -0.948 -0.008 0.000) 0.948 18.379 ( -2.201 1.438 0.000) 2.629 18.453 ( -6.308 5.476 0.000) 8.354 19.414 ( -2.920 -14.771 0.000) 15.057 19.587 ( -11.494 5.820 0.000) 12.884 19.663 ( 11.365 -4.520 0.000) 12.231 20.361 ( -21.303 -7.543 0.000) 22.599 20.973 ( 9.435 13.362 0.000) 16.357 21.404 ( -11.098 14.428 0.000) 18.203 23.163 ( 2.148 -35.858 0.000) 35.922 23.174 ( 2.722 -39.945 0.000) 40.037 25.989 ( 3.845 -8.746 0.000) 9.554 26.042 ( 0.779 -3.412 0.000) 3.500 27.110 ( 9.605 -28.175 0.000) 29.767 27.157 ( 8.802 -24.972 0.000) 26.478 28.301 ( 7.492 14.206 0.000) 16.060 28.602 ( -6.114 12.201 0.000) 13.647 29.862 ( 3.072 -0.488 0.000) 3.110 29.987 ( -1.002 -2.208 0.000) 2.425 30.179 ( 5.257 22.242 0.000) 22.855 30.680 ( -17.997 24.501 0.000) 30.401 31.627 ( 10.125 -12.227 0.000) 15.875 31.954 ( -5.400 -16.788 0.000) 17.635 ======================= Grid point 22 (15/140) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -1.806 2.647 0.000) 3.205 2.025 ( 1.806 2.647 0.000) 3.205 2.504 ( -3.623 17.335 0.000) 17.709 2.504 ( 3.623 17.335 0.000) 17.709 2.815 ( -0.179 2.521 0.000) 2.527 2.815 ( 0.179 2.521 0.000) 2.527 3.550 ( -8.106 18.933 0.000) 20.595 3.550 ( 8.106 18.933 0.000) 20.595 3.715 ( -24.147 7.540 0.000) 25.297 3.715 ( 24.147 7.540 0.000) 25.297 5.087 ( -0.367 -5.835 0.000) 5.847 5.087 ( 0.367 -5.835 0.000) 5.847 17.617 ( -4.668 4.154 0.000) 6.249 17.617 ( 4.668 4.154 0.000) 6.249 18.372 ( -1.738 3.966 0.000) 4.330 18.372 ( 1.738 3.966 0.000) 4.330 19.422 ( -4.166 -7.877 0.000) 8.911 19.422 ( 4.166 -7.877 0.000) 8.911 19.961 ( -17.708 -5.893 0.000) 18.663 19.961 ( 17.708 -5.893 0.000) 18.663 21.181 ( -10.929 14.549 0.000) 18.197 21.181 ( 10.929 14.549 0.000) 18.197 23.196 ( -0.544 -39.878 0.000) 39.882 23.196 ( 0.544 -39.878 0.000) 39.882 26.038 ( -1.223 -4.721 0.000) 4.877 26.038 ( 1.223 -4.721 0.000) 4.877 27.227 ( -1.525 -26.515 0.000) 26.559 27.227 ( 1.525 -26.515 0.000) 26.559 28.459 ( -7.796 12.788 0.000) 14.977 28.459 ( 7.796 12.788 0.000) 14.977 29.930 ( -3.506 -1.424 0.000) 3.784 29.930 ( 3.506 -1.424 0.000) 3.784 30.370 ( -12.714 24.450 0.000) 27.558 30.370 ( 12.714 24.450 0.000) 27.558 31.815 ( -8.254 -14.580 0.000) 16.754 31.815 ( 8.254 -14.580 0.000) 16.754 ======================= Grid point 27 (16/140) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 24.053 0.000) 24.053 1.634 ( 0.000 26.403 0.000) 26.403 2.478 ( 0.000 22.635 0.000) 22.635 3.227 ( 0.000 15.540 0.000) 15.540 3.369 ( 0.000 19.037 0.000) 19.037 3.567 ( 0.000 8.234 0.000) 8.234 3.724 ( 0.000 -1.454 0.000) 1.454 3.853 ( 0.000 13.413 0.000) 13.413 4.154 ( 0.000 5.237 0.000) 5.237 4.303 ( 0.000 -5.254 0.000) 5.254 4.502 ( 0.000 3.124 0.000) 3.124 4.993 ( 0.000 -7.642 0.000) 7.642 17.462 ( 0.000 8.991 0.000) 8.991 17.572 ( 0.000 0.136 0.000) 0.136 18.558 ( 0.000 -0.273 0.000) 0.273 18.849 ( 0.000 -12.065 0.000) 12.065 19.386 ( 0.000 -12.561 0.000) 12.561 19.491 ( 0.000 9.772 0.000) 9.772 20.623 ( 0.000 5.004 0.000) 5.004 20.713 ( 0.000 25.431 0.000) 25.431 21.010 ( 0.000 -16.926 0.000) 16.926 21.880 ( 0.000 -11.495 0.000) 11.495 22.317 ( 0.000 -23.491 0.000) 23.491 23.795 ( 0.000 -15.494 0.000) 15.494 24.659 ( 0.000 3.885 0.000) 3.885 25.864 ( 0.000 -4.780 0.000) 4.780 25.959 ( 0.000 -19.635 0.000) 19.635 26.175 ( 0.000 -11.159 0.000) 11.159 28.365 ( 0.000 13.309 0.000) 13.309 29.052 ( 0.000 15.580 0.000) 15.580 29.749 ( 0.000 -0.401 0.000) 0.401 29.808 ( 0.000 -8.756 0.000) 8.756 30.508 ( 0.000 11.766 0.000) 11.766 31.008 ( 0.000 -7.423 0.000) 7.423 31.653 ( 0.000 -20.147 0.000) 20.147 31.688 ( 0.000 -9.606 0.000) 9.606 ======================= Grid point 28 (17/140) ======================= q-point: ( 0.12 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.311 21.231 0.000) 21.233 1.714 ( 7.587 24.511 0.000) 25.658 2.624 ( 12.642 20.176 0.000) 23.810 3.272 ( -10.114 12.855 0.000) 16.357 3.276 ( 4.348 15.568 0.000) 16.164 3.416 ( -13.634 5.422 0.000) 14.673 3.567 ( -9.313 6.249 0.000) 11.216 3.741 ( -7.967 14.362 0.000) 16.424 4.265 ( 4.448 14.242 0.000) 14.920 4.439 ( 9.022 -4.574 0.000) 10.115 4.548 ( 5.964 -5.653 0.000) 8.217 4.932 ( -5.344 -5.707 0.000) 7.818 17.486 ( 2.340 8.879 0.000) 9.183 17.591 ( 1.878 0.400 0.000) 1.920 18.521 ( -3.310 -0.427 0.000) 3.337 18.802 ( -4.694 -7.307 0.000) 8.685 19.323 ( -5.676 -13.279 0.000) 14.441 19.440 ( -2.988 5.960 0.000) 6.667 20.595 ( -9.891 20.384 0.000) 22.658 20.778 ( 10.710 9.269 0.000) 14.164 20.876 ( -12.484 -16.817 0.000) 20.944 21.872 ( -1.302 -5.634 0.000) 5.782 22.311 ( -0.335 -28.301 0.000) 28.303 23.205 ( -36.759 -13.162 0.000) 39.045 25.178 ( 30.547 -5.393 0.000) 31.019 25.881 ( 2.291 -4.828 0.000) 5.344 26.089 ( 11.191 -18.928 0.000) 21.989 26.271 ( 9.349 -12.058 0.000) 15.258 28.390 ( 2.452 13.214 0.000) 13.439 29.033 ( -1.933 15.009 0.000) 15.133 29.765 ( 1.477 -0.139 0.000) 1.484 29.828 ( 1.871 -8.617 0.000) 8.817 30.484 ( -1.720 12.091 0.000) 12.213 31.072 ( 5.740 -7.849 0.000) 9.724 31.575 ( -10.487 -6.064 0.000) 12.114 31.653 ( -0.158 -19.432 0.000) 19.433 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 8.002 13.927 0.000) 16.062 1.910 ( 10.796 19.691 0.000) 22.456 2.883 ( 8.481 11.290 0.000) 14.120 3.018 ( -11.003 4.866 0.000) 12.031 3.089 ( -16.047 3.407 0.000) 16.405 3.359 ( -1.161 16.869 0.000) 16.909 3.457 ( -0.517 21.064 0.000) 21.070 3.599 ( -2.408 12.912 0.000) 13.134 4.251 ( -4.496 19.056 0.000) 19.579 4.510 ( -5.057 -2.629 0.000) 5.699 4.725 ( 9.518 -9.886 0.000) 13.723 4.861 ( 1.034 -2.841 0.000) 3.023 17.553 ( 4.123 8.252 0.000) 9.224 17.642 ( 2.934 0.873 0.000) 3.061 18.449 ( -2.981 0.266 0.000) 2.993 18.678 ( -6.787 0.448 0.000) 6.802 19.192 ( -6.179 -14.342 0.000) 15.616 19.430 ( 2.320 -2.138 0.000) 3.155 20.259 ( -22.732 19.592 0.000) 30.010 20.549 ( -18.850 -15.404 0.000) 24.344 21.012 ( 11.391 9.240 0.000) 14.668 21.805 ( -5.488 4.077 0.000) 6.837 22.313 ( 0.616 -36.569 0.000) 36.574 22.628 ( -18.933 -25.452 0.000) 31.722 25.644 ( 15.939 -6.129 0.000) 17.076 25.945 ( 3.440 -2.766 0.000) 4.414 26.358 ( 14.264 -19.608 0.000) 24.248 26.515 ( 12.956 -15.689 0.000) 20.347 28.464 ( 4.814 12.993 0.000) 13.856 28.971 ( -4.205 13.816 0.000) 14.441 29.804 ( 2.296 0.101 0.000) 2.298 29.873 ( 2.212 -7.886 0.000) 8.190 30.468 ( 0.839 13.006 0.000) 13.033 31.214 ( 7.884 -9.479 0.000) 12.329 31.306 ( -15.158 1.520 0.000) 15.234 31.642 ( -1.159 -18.541 0.000) 18.577 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 11.994 6.239 0.000) 13.520 2.095 ( 5.741 11.837 0.000) 13.156 2.800 ( -3.870 4.301 0.000) 5.786 2.837 ( -7.023 5.757 0.000) 9.081 2.966 ( -4.610 8.062 0.000) 9.286 3.155 ( -14.947 11.700 0.000) 18.981 3.610 ( 14.533 23.190 0.000) 27.367 3.714 ( 9.901 15.334 0.000) 18.253 4.118 ( -8.317 18.276 0.000) 20.079 4.281 ( -15.098 6.131 0.000) 16.296 4.886 ( 5.899 -8.418 0.000) 10.279 4.929 ( 3.331 -4.738 0.000) 5.791 17.638 ( 3.943 6.267 0.000) 7.404 17.693 ( 1.604 1.643 0.000) 2.296 18.427 ( 1.017 3.688 0.000) 3.826 18.556 ( -4.969 4.125 0.000) 6.458 19.123 ( 0.661 -13.508 0.000) 13.524 19.511 ( 2.527 -8.116 0.000) 8.501 19.771 ( -19.864 10.697 0.000) 22.561 20.158 ( -19.000 -12.510 0.000) 22.749 21.234 ( 10.883 11.134 0.000) 15.569 21.656 ( -9.024 9.278 0.000) 12.943 22.331 ( 0.946 -40.673 0.000) 40.684 22.406 ( -5.146 -36.515 0.000) 36.876 25.874 ( 7.871 -3.151 0.000) 8.479 25.997 ( 1.190 -1.311 0.000) 1.771 26.617 ( 10.541 -20.006 0.000) 22.613 26.720 ( 6.333 -18.694 0.000) 19.738 28.581 ( 6.674 12.735 0.000) 14.378 28.864 ( -6.302 12.883 0.000) 14.341 29.852 ( 2.268 -0.586 0.000) 2.342 29.902 ( 0.419 -5.634 0.000) 5.649 30.540 ( 6.452 12.815 0.000) 14.348 30.997 ( -14.843 7.377 0.000) 16.575 31.373 ( 7.548 -11.921 0.000) 14.110 31.599 ( -3.225 -16.826 0.000) 17.132 ======================= Grid point 31 (20/140) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -5.879 3.910 0.000) 7.060 2.091 ( 5.879 3.910 0.000) 7.060 2.838 ( -5.615 9.271 0.000) 10.838 2.838 ( 5.615 9.271 0.000) 10.838 2.872 ( -10.679 8.292 0.000) 13.520 2.872 ( 10.679 8.292 0.000) 13.520 3.915 ( -3.408 14.504 0.000) 14.899 3.915 ( 3.408 14.504 0.000) 14.899 3.958 ( -10.404 17.601 0.000) 20.446 3.958 ( 10.404 17.601 0.000) 20.446 4.955 ( -0.978 -6.652 0.000) 6.724 4.955 ( 0.978 -6.652 0.000) 6.724 17.695 ( -1.429 3.427 0.000) 3.713 17.695 ( 1.429 3.427 0.000) 3.713 18.475 ( -3.239 5.799 0.000) 6.642 18.475 ( 3.239 5.799 0.000) 6.642 19.270 ( -14.269 -6.635 0.000) 15.736 19.270 ( 14.269 -6.635 0.000) 15.736 19.817 ( -13.932 -7.972 0.000) 16.052 19.817 ( 13.932 -7.972 0.000) 16.052 21.454 ( -10.736 11.167 0.000) 15.491 21.454 ( 10.736 11.167 0.000) 15.491 22.351 ( -1.307 -40.795 0.000) 40.816 22.351 ( 1.307 -40.795 0.000) 40.816 25.981 ( -2.918 -1.340 0.000) 3.211 25.981 ( 2.918 -1.340 0.000) 3.211 26.756 ( -2.768 -19.831 0.000) 20.023 26.756 ( 2.768 -19.831 0.000) 20.023 28.724 ( -7.291 12.585 0.000) 14.545 28.724 ( 7.291 12.585 0.000) 14.545 29.891 ( -1.429 -2.615 0.000) 2.980 29.891 ( 1.429 -2.615 0.000) 2.980 30.726 ( -11.699 10.865 0.000) 15.966 30.726 ( 11.699 10.865 0.000) 15.966 31.509 ( -5.701 -14.521 0.000) 15.600 31.509 ( 5.701 -14.521 0.000) 15.600 ======================= Grid point 36 (21/140) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 21.510 0.000) 21.510 2.142 ( 0.000 23.569 0.000) 23.569 2.812 ( 0.000 12.484 0.000) 12.484 3.454 ( 0.000 5.508 0.000) 5.508 3.508 ( 0.000 -5.239 0.000) 5.239 3.691 ( 0.000 5.527 0.000) 5.527 3.995 ( 0.000 25.508 0.000) 25.508 4.052 ( 0.000 -10.712 0.000) 10.712 4.164 ( 0.000 15.289 0.000) 15.289 4.225 ( 0.000 -1.898 0.000) 1.898 4.721 ( 0.000 13.288 0.000) 13.288 4.835 ( 0.000 -7.448 0.000) 7.448 17.610 ( 0.000 3.621 0.000) 3.621 17.680 ( 0.000 12.571 0.000) 12.571 18.541 ( 0.000 -1.360 0.000) 1.360 18.591 ( 0.000 -13.114 0.000) 13.114 19.181 ( 0.000 -7.848 0.000) 7.848 19.735 ( 0.000 14.236 0.000) 14.236 20.521 ( 0.000 -29.660 0.000) 29.660 20.715 ( 0.000 3.529 0.000) 3.529 21.230 ( 0.000 25.004 0.000) 25.004 21.577 ( 0.000 -15.980 0.000) 15.980 21.943 ( 0.000 -14.393 0.000) 14.393 23.429 ( 0.000 -20.257 0.000) 20.257 24.750 ( 0.000 5.196 0.000) 5.196 25.698 ( 0.000 -7.165 0.000) 7.165 25.777 ( 0.000 -3.883 0.000) 3.883 25.923 ( 0.000 -13.573 0.000) 13.573 28.590 ( 0.000 9.088 0.000) 9.088 29.374 ( 0.000 15.644 0.000) 15.644 29.583 ( 0.000 -12.460 0.000) 12.460 29.750 ( 0.000 0.587 0.000) 0.587 30.709 ( 0.000 7.582 0.000) 7.582 30.887 ( 0.000 -4.248 0.000) 4.248 31.255 ( 0.000 -18.243 0.000) 18.243 31.472 ( 0.000 -11.589 0.000) 11.589 ======================= Grid point 37 (22/140) ======================= q-point: ( 0.12 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -4.723 18.822 0.000) 19.406 2.193 ( 4.672 22.409 0.000) 22.891 2.933 ( 9.869 12.572 0.000) 15.982 3.289 ( -16.339 -5.958 0.000) 17.391 3.444 ( -7.766 2.176 0.000) 8.065 3.582 ( -1.544 9.244 0.000) 9.372 3.979 ( -0.577 26.311 0.000) 26.317 3.989 ( -11.164 7.847 0.000) 13.646 4.251 ( 13.965 -10.226 0.000) 17.309 4.408 ( 9.462 2.984 0.000) 9.922 4.688 ( -3.167 13.635 0.000) 13.998 4.824 ( -0.859 -4.447 0.000) 4.529 17.633 ( 2.185 3.712 0.000) 4.307 17.694 ( 1.294 11.585 0.000) 11.657 18.511 ( -2.495 -0.264 0.000) 2.509 18.600 ( 0.758 -11.796 0.000) 11.820 19.097 ( -7.426 -9.309 0.000) 11.908 19.635 ( -8.376 13.065 0.000) 15.519 20.418 ( -9.709 -27.284 0.000) 28.960 20.802 ( 5.981 3.826 0.000) 7.100 21.144 ( -7.619 22.058 0.000) 23.337 21.588 ( 0.847 -18.436 0.000) 18.455 21.924 ( -1.897 -12.188 0.000) 12.335 22.896 ( -39.879 -16.877 0.000) 43.303 25.125 ( 25.705 -0.428 0.000) 25.709 25.769 ( 6.000 -5.609 0.000) 8.214 25.857 ( 7.953 -5.368 0.000) 9.595 26.009 ( 8.108 -13.585 0.000) 15.821 28.615 ( 2.456 9.168 0.000) 9.491 29.334 ( -3.642 14.167 0.000) 14.628 29.609 ( 2.499 -12.162 0.000) 12.416 29.774 ( 1.960 1.096 0.000) 2.246 30.682 ( -1.733 7.069 0.000) 7.278 30.946 ( 4.912 -4.254 0.000) 6.498 31.237 ( -2.056 -18.070 0.000) 18.186 31.439 ( -2.864 -9.374 0.000) 9.802 ======================= Grid point 38 (23/140) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 0.640 13.241 0.000) 13.257 2.301 ( 4.884 18.567 0.000) 19.198 2.955 ( -13.153 -4.604 0.000) 13.936 3.140 ( 6.859 11.344 0.000) 13.256 3.159 ( -14.772 3.581 0.000) 15.200 3.644 ( -5.941 10.300 0.000) 11.890 3.767 ( -0.838 2.878 0.000) 2.997 3.990 ( 2.381 26.808 0.000) 26.914 4.499 ( 6.863 -11.102 0.000) 13.052 4.527 ( 1.240 4.864 0.000) 5.020 4.613 ( -1.245 14.791 0.000) 14.844 4.823 ( 1.351 -0.608 0.000) 1.482 17.690 ( 3.081 3.705 0.000) 4.819 17.725 ( 1.520 8.475 0.000) 8.610 18.478 ( 0.320 3.104 0.000) 3.121 18.608 ( -0.338 -7.584 0.000) 7.592 18.935 ( -7.192 -11.321 0.000) 13.412 19.467 ( -6.842 7.030 0.000) 9.810 20.160 ( -14.863 -22.336 0.000) 26.829 20.656 ( -24.419 19.424 0.000) 31.202 21.130 ( 8.601 0.783 0.000) 8.637 21.603 ( 0.540 -23.218 0.000) 23.225 21.862 ( -4.360 -7.297 0.000) 8.500 22.159 ( -28.725 -19.870 0.000) 34.928 25.569 ( 17.455 -1.830 0.000) 17.551 25.895 ( 5.725 -2.279 0.000) 6.162 26.075 ( 12.341 -8.773 0.000) 15.141 26.213 ( 10.741 -14.088 0.000) 17.716 28.689 ( 4.853 9.386 0.000) 10.566 29.237 ( -5.830 11.982 0.000) 13.326 29.677 ( 3.946 -11.092 0.000) 11.773 29.813 ( 1.607 0.570 0.000) 1.705 30.666 ( 0.587 6.795 0.000) 6.820 31.059 ( 5.883 -5.679 0.000) 8.177 31.157 ( -6.104 -13.609 0.000) 14.915 31.380 ( -2.578 -7.858 0.000) 8.270 ======================= Grid point 39 (24/140) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 6.530 7.497 0.000) 9.942 2.324 ( -3.745 10.765 0.000) 11.398 2.778 ( -2.930 -4.042 0.000) 4.993 2.949 ( -5.444 4.667 0.000) 7.171 3.207 ( -0.428 13.727 0.000) 13.733 3.344 ( -15.296 7.307 0.000) 16.952 3.946 ( 11.408 6.744 0.000) 13.253 4.094 ( 7.517 22.779 0.000) 23.987 4.412 ( -8.601 7.446 0.000) 11.376 4.465 ( -6.296 11.340 0.000) 12.971 4.744 ( 7.430 -2.565 0.000) 7.860 4.861 ( 1.316 -1.334 0.000) 1.873 17.743 ( 1.864 3.397 0.000) 3.875 17.749 ( 0.840 4.714 0.000) 4.788 18.532 ( 3.347 5.665 0.000) 6.580 18.585 ( -1.646 -2.441 0.000) 2.944 18.884 ( 5.128 -9.163 0.000) 10.500 19.385 ( -2.057 -2.323 0.000) 3.102 19.860 ( -13.871 -16.361 0.000) 21.450 20.018 ( -33.138 13.001 0.000) 35.597 21.340 ( 10.856 -4.565 0.000) 11.777 21.610 ( 0.142 -27.988 0.000) 27.988 21.748 ( -6.769 -1.612 0.000) 6.959 21.783 ( -10.275 -20.926 0.000) 23.312 25.838 ( 9.654 -0.731 0.000) 9.681 25.979 ( 2.146 -0.580 0.000) 2.223 26.303 ( 9.315 -11.163 0.000) 14.539 26.388 ( 5.654 -14.108 0.000) 15.199 28.807 ( 6.747 9.663 0.000) 11.786 29.105 ( -7.175 10.630 0.000) 12.825 29.756 ( 3.580 -8.835 0.000) 9.533 29.830 ( 0.038 -1.908 0.000) 1.909 30.715 ( 4.313 5.279 0.000) 6.817 31.004 ( -8.486 -5.243 0.000) 9.975 31.173 ( 5.323 -7.508 0.000) 9.203 31.332 ( -2.534 -8.997 0.000) 9.347 ======================= Grid point 40 (25/140) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -8.053 5.717 0.000) 9.876 2.188 ( 8.053 5.717 0.000) 9.876 2.839 ( -6.987 -2.435 0.000) 7.399 2.839 ( 6.987 -2.435 0.000) 7.399 3.177 ( -0.323 15.232 0.000) 15.236 3.177 ( 0.323 15.232 0.000) 15.236 4.163 ( -7.893 8.110 0.000) 11.317 4.163 ( 7.893 8.110 0.000) 11.317 4.317 ( -5.956 17.006 0.000) 18.019 4.317 ( 5.956 17.006 0.000) 18.019 4.849 ( -2.827 -2.675 0.000) 3.892 4.849 ( 2.827 -2.675 0.000) 3.892 17.760 ( -0.077 3.261 0.000) 3.262 17.760 ( 0.077 3.261 0.000) 3.262 18.560 ( -0.565 0.752 0.000) 0.941 18.560 ( 0.565 0.752 0.000) 0.941 19.184 ( -20.477 -0.788 0.000) 20.492 19.184 ( 20.477 -0.788 0.000) 20.492 19.661 ( -2.493 -6.646 0.000) 7.098 19.661 ( 2.493 -6.646 0.000) 7.098 21.544 ( -8.577 -13.210 0.000) 15.750 21.544 ( 8.577 -13.210 0.000) 15.750 21.670 ( -1.668 -14.717 0.000) 14.811 21.670 ( 1.668 -14.717 0.000) 14.811 25.968 ( -3.359 -0.117 0.000) 3.361 25.968 ( 3.359 -0.117 0.000) 3.361 26.423 ( -2.246 -13.004 0.000) 13.196 26.423 ( 2.246 -13.004 0.000) 13.196 28.954 ( -7.577 9.993 0.000) 12.541 28.954 ( 7.577 9.993 0.000) 12.541 29.812 ( -1.872 -5.442 0.000) 5.756 29.812 ( 1.872 -5.442 0.000) 5.756 30.837 ( -7.562 1.335 0.000) 7.679 30.837 ( 7.562 1.335 0.000) 7.679 31.268 ( -3.918 -8.842 0.000) 9.671 31.268 ( 3.918 -8.842 0.000) 9.671 ======================= Grid point 45 (26/140) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 0.000 18.658 0.000) 18.658 2.584 ( 0.000 19.946 0.000) 19.946 3.044 ( 0.000 11.173 0.000) 11.173 3.347 ( 0.000 -9.789 0.000) 9.789 3.438 ( 0.000 -6.242 0.000) 6.242 3.804 ( 0.000 -13.065 0.000) 13.065 3.816 ( 0.000 6.909 0.000) 6.909 4.205 ( 0.000 -1.670 0.000) 1.670 4.434 ( 0.000 10.931 0.000) 10.931 4.494 ( 0.000 21.825 0.000) 21.825 4.714 ( 0.000 -3.979 0.000) 3.979 4.939 ( 0.000 7.305 0.000) 7.305 17.716 ( 0.000 6.714 0.000) 6.714 17.966 ( 0.000 15.305 0.000) 15.305 18.328 ( 0.000 -12.600 0.000) 12.600 18.504 ( 0.000 -2.242 0.000) 2.242 19.060 ( 0.000 -3.865 0.000) 3.865 19.893 ( 0.000 -30.496 0.000) 30.496 20.056 ( 0.000 16.906 0.000) 16.906 20.743 ( 0.000 -1.337 0.000) 1.337 21.322 ( 0.000 -7.684 0.000) 7.684 21.681 ( 0.000 -12.193 0.000) 12.193 21.711 ( 0.000 22.333 0.000) 22.333 22.994 ( 0.000 -22.073 0.000) 22.073 24.879 ( 0.000 7.804 0.000) 7.804 25.623 ( 0.000 -1.220 0.000) 1.220 25.633 ( 0.000 -14.843 0.000) 14.843 25.707 ( 0.000 -3.045 0.000) 3.045 28.750 ( 0.000 7.216 0.000) 7.216 29.327 ( 0.000 -12.411 0.000) 12.411 29.659 ( 0.000 11.634 0.000) 11.634 29.775 ( 0.000 1.847 0.000) 1.847 30.815 ( 0.000 3.121 0.000) 3.121 30.837 ( 0.000 -0.886 0.000) 0.886 30.952 ( 0.000 -10.671 0.000) 10.671 31.226 ( 0.000 -12.300 0.000) 12.300 ======================= Grid point 46 (27/140) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -8.933 16.048 0.000) 18.366 2.616 ( 2.731 19.231 0.000) 19.424 3.121 ( -14.122 -7.398 0.000) 15.943 3.192 ( 9.145 10.613 0.000) 14.009 3.422 ( -4.312 -4.813 0.000) 6.462 3.722 ( -4.154 5.685 0.000) 7.041 3.999 ( 13.422 -13.023 0.000) 18.702 4.045 ( -13.335 -1.175 0.000) 13.387 4.487 ( -0.453 21.516 0.000) 21.521 4.545 ( 7.787 8.335 0.000) 11.407 4.765 ( 3.833 -1.381 0.000) 4.074 4.914 ( -2.362 7.614 0.000) 7.972 17.739 ( 2.160 6.668 0.000) 7.009 17.947 ( -1.948 12.985 0.000) 13.131 18.350 ( 2.061 -12.426 0.000) 12.596 18.512 ( 1.007 -0.299 0.000) 1.050 18.944 ( -9.900 -4.803 0.000) 11.003 19.840 ( -5.241 -28.022 0.000) 28.508 19.952 ( -9.507 17.691 0.000) 20.084 20.810 ( 5.854 -3.525 0.000) 6.833 21.302 ( -1.783 -8.247 0.000) 8.438 21.567 ( -14.384 19.105 0.000) 23.914 21.682 ( -0.088 -12.409 0.000) 12.410 22.545 ( -36.700 -17.124 0.000) 40.498 25.154 ( 21.178 3.438 0.000) 21.456 25.701 ( 7.111 -1.237 0.000) 7.217 25.730 ( 8.957 -13.687 0.000) 16.358 25.783 ( 7.065 -2.748 0.000) 7.580 28.777 ( 2.690 7.357 0.000) 7.833 29.357 ( 2.922 -12.309 0.000) 12.651 29.582 ( -5.920 9.849 0.000) 11.491 29.807 ( 1.514 1.814 0.000) 2.363 30.780 ( -1.452 3.178 0.000) 3.494 30.895 ( 3.684 -1.325 0.000) 3.915 30.946 ( -0.539 -9.650 0.000) 9.666 31.228 ( -0.031 -11.056 0.000) 11.057 ======================= Grid point 47 (28/140) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -4.515 12.067 0.000) 12.884 2.654 ( -0.653 16.097 0.000) 16.110 2.824 ( -12.421 -7.700 0.000) 14.614 3.216 ( -12.694 1.075 0.000) 12.740 3.394 ( 8.245 13.358 0.000) 15.698 3.728 ( -13.469 -1.846 0.000) 13.594 3.787 ( 5.705 1.204 0.000) 5.831 4.232 ( 8.358 -12.468 0.000) 15.010 4.490 ( 1.282 19.620 0.000) 19.662 4.673 ( 4.024 8.000 0.000) 8.955 4.836 ( 2.929 1.432 0.000) 3.260 4.857 ( -2.753 8.308 0.000) 8.752 17.792 ( 2.779 6.460 0.000) 7.032 17.894 ( -2.865 8.526 0.000) 8.994 18.401 ( 2.627 -11.769 0.000) 12.059 18.546 ( 1.268 -1.309 0.000) 1.822 18.761 ( -4.898 -1.333 0.000) 5.076 19.693 ( -8.636 -22.420 0.000) 24.026 19.712 ( -13.302 16.364 0.000) 21.089 20.947 ( 7.094 -8.806 0.000) 11.307 21.076 ( -36.147 11.665 0.000) 37.982 21.257 ( -2.488 -9.614 0.000) 9.930 21.667 ( -1.630 -12.379 0.000) 12.486 21.854 ( -24.902 -10.657 0.000) 27.086 25.560 ( 17.444 0.994 0.000) 17.472 25.863 ( 7.676 -0.530 0.000) 7.694 25.950 ( 11.546 -11.725 0.000) 16.456 25.964 ( 10.012 -3.289 0.000) 10.538 28.858 ( 5.197 7.685 0.000) 9.277 29.440 ( 5.083 -11.881 0.000) 12.923 29.448 ( -7.213 8.872 0.000) 11.434 29.810 ( -1.339 -1.517 0.000) 2.023 30.768 ( 0.347 3.916 0.000) 3.932 30.932 ( -0.930 -6.629 0.000) 6.694 30.974 ( 4.080 -3.208 0.000) 5.190 31.218 ( -1.064 -8.624 0.000) 8.689 ======================= Grid point 48 (29/140) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 2.937 8.389 0.000) 8.888 2.534 ( -10.399 10.048 0.000) 14.460 2.672 ( -1.780 -6.168 0.000) 6.419 2.988 ( -11.062 -1.414 0.000) 11.152 3.492 ( -5.933 8.143 0.000) 10.075 3.493 ( 1.444 14.284 0.000) 14.356 3.980 ( 10.625 -2.946 0.000) 11.026 4.299 ( -1.806 -8.835 0.000) 9.017 4.546 ( 3.882 15.817 0.000) 16.287 4.696 ( -1.475 10.374 0.000) 10.479 4.833 ( 0.825 6.722 0.000) 6.773 4.877 ( 0.930 2.239 0.000) 2.424 17.837 ( 1.368 6.076 0.000) 6.228 17.851 ( -1.104 6.029 0.000) 6.129 18.444 ( 1.441 -10.486 0.000) 10.584 18.505 ( -3.315 -9.741 0.000) 10.290 18.872 ( 14.723 8.325 0.000) 16.914 19.461 ( -10.554 9.484 0.000) 14.189 19.534 ( -5.885 -14.748 0.000) 15.879 20.228 ( -42.459 4.094 0.000) 42.656 21.079 ( 5.402 -11.247 0.000) 12.477 21.208 ( -2.379 -11.246 0.000) 11.495 21.569 ( -5.887 -7.165 0.000) 9.273 21.614 ( -3.445 -11.149 0.000) 11.669 25.840 ( 10.286 1.013 0.000) 10.336 25.977 ( 3.131 0.601 0.000) 3.188 26.145 ( 6.978 -5.220 0.000) 8.714 26.147 ( 7.161 -9.766 0.000) 12.110 28.983 ( 7.054 7.996 0.000) 10.662 29.295 ( -7.842 8.388 0.000) 11.483 29.553 ( 5.837 -10.806 0.000) 12.282 29.757 ( -3.714 -5.524 0.000) 6.656 30.794 ( 2.170 3.444 0.000) 4.071 30.902 ( -2.119 -2.513 0.000) 3.288 31.055 ( 3.911 -4.769 0.000) 6.168 31.184 ( -2.265 -6.816 0.000) 7.183 ======================= Grid point 49 (30/140) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -9.075 7.364 0.000) 11.687 2.322 ( 9.075 7.364 0.000) 11.687 2.760 ( -9.643 -5.237 0.000) 10.973 2.760 ( 9.643 -5.237 0.000) 10.973 3.476 ( -1.916 14.235 0.000) 14.363 3.476 ( 1.916 14.235 0.000) 14.363 4.183 ( -8.785 -5.500 0.000) 10.365 4.183 ( 8.785 -5.500 0.000) 10.365 4.632 ( -4.250 13.530 0.000) 14.182 4.632 ( 4.250 13.530 0.000) 14.182 4.868 ( -1.682 3.377 0.000) 3.773 4.868 ( 1.682 3.377 0.000) 3.773 17.846 ( -0.170 5.711 0.000) 5.713 17.846 ( 0.170 5.711 0.000) 5.713 18.463 ( -0.985 -9.610 0.000) 9.660 18.463 ( 0.986 -9.610 0.000) 9.660 19.247 ( -16.113 5.880 0.000) 17.152 19.247 ( 16.113 5.880 0.000) 17.152 19.565 ( -15.972 -3.106 0.000) 16.271 19.565 ( 15.972 -3.106 0.000) 16.271 21.158 ( -2.778 -12.465 0.000) 12.771 21.158 ( 2.778 -12.465 0.000) 12.771 21.547 ( -2.343 -8.686 0.000) 8.996 21.547 ( 2.343 -8.686 0.000) 8.996 25.977 ( -3.299 1.113 0.000) 3.482 25.977 ( 3.299 1.113 0.000) 3.482 26.220 ( -0.129 -7.532 0.000) 7.533 26.220 ( 0.129 -7.532 0.000) 7.533 29.135 ( -7.903 8.183 0.000) 11.376 29.135 ( 7.903 8.183 0.000) 11.376 29.666 ( -5.211 -8.730 0.000) 10.167 29.666 ( 5.211 -8.730 0.000) 10.167 30.849 ( -2.954 1.237 0.000) 3.203 30.849 ( 2.954 1.237 0.000) 3.203 31.128 ( -3.234 -5.824 0.000) 6.661 31.128 ( 3.234 -5.824 0.000) 6.661 ======================= Grid point 54 (31/140) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 0.000 15.687 0.000) 15.687 2.951 ( 0.000 16.255 0.000) 16.255 3.118 ( 0.000 -12.705 0.000) 12.705 3.242 ( 0.000 -12.357 0.000) 12.357 3.280 ( 0.000 12.103 0.000) 12.103 3.536 ( 0.000 -13.098 0.000) 13.098 3.968 ( 0.000 7.876 0.000) 7.876 4.119 ( 0.000 -6.514 0.000) 6.514 4.599 ( 0.000 5.425 0.000) 5.425 4.666 ( 0.000 -1.807 0.000) 1.807 4.846 ( 0.000 12.532 0.000) 12.532 4.995 ( 0.000 -2.146 0.000) 2.146 17.878 ( 0.000 9.210 0.000) 9.210 18.086 ( 0.000 -11.183 0.000) 11.183 18.266 ( 0.000 12.799 0.000) 12.799 18.440 ( 0.000 -4.781 0.000) 4.781 19.061 ( 0.000 5.676 0.000) 5.676 19.345 ( 0.000 -21.974 0.000) 21.974 20.391 ( 0.000 15.285 0.000) 15.285 20.642 ( 0.000 -8.859 0.000) 8.859 21.288 ( 0.000 3.943 0.000) 3.943 21.445 ( 0.000 -10.569 0.000) 10.569 22.140 ( 0.000 20.307 0.000) 20.307 22.554 ( 0.000 -21.017 0.000) 21.017 25.073 ( 0.000 11.377 0.000) 11.377 25.335 ( 0.000 -14.161 0.000) 14.161 25.623 ( 0.000 0.946 0.000) 0.946 25.654 ( 0.000 -2.081 0.000) 2.081 28.903 ( 0.000 8.214 0.000) 8.214 29.092 ( 0.000 -10.544 0.000) 10.544 29.813 ( 0.000 3.305 0.000) 3.305 29.817 ( 0.000 1.802 0.000) 1.802 30.838 ( 0.000 0.610 0.000) 0.610 30.846 ( 0.000 0.229 0.000) 0.229 30.858 ( 0.000 1.686 0.000) 1.686 30.991 ( 0.000 -10.174 0.000) 10.174 ======================= Grid point 55 (32/140) ======================= q-point: ( 0.12 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -12.150 13.606 0.000) 18.241 2.914 ( -14.406 -11.491 0.000) 18.427 2.971 ( 1.388 15.766 0.000) 15.827 3.251 ( -0.209 -11.583 0.000) 11.584 3.450 ( 12.224 13.378 0.000) 18.122 3.726 ( 13.049 -13.678 0.000) 18.904 3.845 ( -9.127 6.480 0.000) 11.194 3.971 ( -12.087 -5.506 0.000) 13.282 4.686 ( 6.642 5.040 0.000) 8.338 4.747 ( 6.009 -1.287 0.000) 6.145 4.833 ( -1.151 12.208 0.000) 12.262 4.976 ( -1.781 -1.854 0.000) 2.571 17.901 ( 2.080 9.200 0.000) 9.432 18.109 ( 2.130 -11.218 0.000) 11.418 18.206 ( -5.186 12.352 0.000) 13.397 18.429 ( -1.943 -8.633 0.000) 8.849 18.989 ( -5.068 10.414 0.000) 11.582 19.328 ( -1.922 -21.799 0.000) 21.884 20.324 ( -6.795 18.102 0.000) 19.336 20.645 ( -0.322 -12.621 0.000) 12.625 21.265 ( -2.087 4.145 0.000) 4.641 21.434 ( -1.176 -11.325 0.000) 11.386 21.915 ( -20.616 15.543 0.000) 25.819 22.219 ( -28.739 -15.093 0.000) 32.461 25.268 ( 16.341 7.827 0.000) 18.119 25.468 ( 11.900 -11.707 0.000) 16.693 25.703 ( 7.266 1.068 0.000) 7.344 25.735 ( 7.344 -2.009 0.000) 7.614 28.932 ( 2.918 8.308 0.000) 8.806 29.123 ( 3.013 -10.560 0.000) 10.982 29.736 ( -5.444 5.664 0.000) 7.856 29.814 ( -2.153 -1.780 0.000) 2.793 30.832 ( 0.001 2.188 0.000) 2.188 30.870 ( 1.707 -1.484 0.000) 2.262 30.874 ( 1.485 2.521 0.000) 2.926 31.011 ( 1.595 -9.699 0.000) 9.829 ======================= Grid point 56 (33/140) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -7.955 10.809 0.000) 13.421 2.650 ( -10.459 -9.403 0.000) 14.064 2.950 ( -5.557 12.902 0.000) 14.048 3.160 ( -9.752 -7.074 0.000) 12.048 3.673 ( 8.813 14.016 0.000) 16.556 3.714 ( -5.546 1.525 0.000) 5.752 3.768 ( -1.828 -2.716 0.000) 3.274 3.958 ( 8.921 -13.960 0.000) 16.567 4.807 ( 4.573 4.649 0.000) 6.521 4.810 ( -0.808 11.116 0.000) 11.145 4.855 ( 4.202 -0.257 0.000) 4.210 4.933 ( -2.068 -1.032 0.000) 2.311 17.952 ( 2.627 9.205 0.000) 9.573 18.091 ( -5.445 11.253 0.000) 12.501 18.162 ( 2.814 -11.359 0.000) 11.702 18.347 ( -5.489 -13.321 0.000) 14.407 18.944 ( 1.806 14.527 0.000) 14.639 19.280 ( -2.095 -18.347 0.000) 18.467 20.104 ( -15.306 21.683 0.000) 26.541 20.562 ( -11.505 -22.589 0.000) 25.350 21.211 ( -3.127 4.469 0.000) 5.455 21.396 ( -26.122 14.964 0.000) 30.104 21.399 ( -2.244 -12.718 0.000) 12.915 21.655 ( -21.957 -10.582 0.000) 24.374 25.615 ( 16.209 4.483 0.000) 16.818 25.745 ( 13.948 -8.351 0.000) 16.257 25.874 ( 8.510 1.426 0.000) 8.628 25.912 ( 9.106 -2.158 0.000) 9.358 29.018 ( 5.464 8.488 0.000) 10.094 29.210 ( 5.470 -10.513 0.000) 11.851 29.607 ( -7.077 7.114 0.000) 10.035 29.737 ( -5.186 -5.426 0.000) 7.506 30.842 ( 1.038 3.529 0.000) 3.679 30.908 ( 1.508 3.666 0.000) 3.964 30.911 ( 2.363 -3.212 0.000) 3.988 31.040 ( 0.984 -8.401 0.000) 8.458 ======================= Grid point 57 (34/140) ======================= q-point: ( 0.38 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.805 8.390 0.000) 8.429 2.532 ( -0.589 -7.551 0.000) 7.574 2.731 ( -13.888 9.250 0.000) 16.686 2.899 ( -14.660 -6.848 0.000) 16.180 3.676 ( 2.534 9.531 0.000) 9.862 3.781 ( 1.700 14.059 0.000) 14.162 3.860 ( 7.359 -8.101 0.000) 10.944 4.059 ( 0.857 -13.229 0.000) 13.257 4.812 ( 1.110 9.191 0.000) 9.257 4.859 ( 0.668 5.371 0.000) 5.413 4.907 ( -0.286 -0.219 0.000) 0.360 4.910 ( 1.332 0.097 0.000) 1.336 17.993 ( 1.256 9.338 0.000) 9.422 18.013 ( -1.960 10.193 0.000) 10.380 18.210 ( 1.688 -11.685 0.000) 11.806 18.256 ( -2.825 -13.131 0.000) 13.431 19.077 ( 11.519 10.256 0.000) 15.423 19.281 ( 3.288 -10.525 0.000) 11.026 19.733 ( -19.662 16.422 0.000) 25.618 20.080 ( -32.015 -15.843 0.000) 35.720 21.103 ( -4.088 11.083 0.000) 11.813 21.147 ( -3.041 4.644 0.000) 5.551 21.348 ( -2.610 -13.423 0.000) 13.675 21.368 ( -7.400 -12.658 0.000) 14.662 25.885 ( 10.218 3.539 0.000) 10.814 25.985 ( 9.167 -6.368 0.000) 11.161 26.007 ( 3.981 2.274 0.000) 4.585 26.063 ( 5.141 -3.253 0.000) 6.084 29.147 ( 7.145 8.531 0.000) 11.128 29.336 ( 6.831 -10.172 0.000) 12.253 29.457 ( -7.725 7.819 0.000) 10.991 29.617 ( -6.570 -7.806 0.000) 10.203 30.872 ( 1.789 4.249 0.000) 4.610 30.924 ( -0.021 4.179 0.000) 4.179 30.962 ( 2.639 -4.564 0.000) 5.272 31.043 ( -0.748 -6.878 0.000) 6.919 ======================= Grid point 58 (35/140) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -9.754 7.913 0.000) 12.560 2.479 ( 9.754 7.913 0.000) 12.560 2.633 ( -10.151 -7.117 0.000) 12.397 2.633 ( 10.151 -7.117 0.000) 12.397 3.754 ( -3.681 13.115 0.000) 13.621 3.754 ( 3.681 13.115 0.000) 13.621 4.002 ( -5.803 -11.162 0.000) 12.581 4.002 ( 5.803 -11.162 0.000) 12.581 4.845 ( -1.658 7.068 0.000) 7.260 4.845 ( 1.658 7.068 0.000) 7.260 4.915 ( -0.559 0.007 0.000) 0.559 4.915 ( 0.559 0.007 0.000) 0.559 18.001 ( -0.120 9.654 0.000) 9.655 18.001 ( 0.120 9.654 0.000) 9.655 18.229 ( -0.521 -12.260 0.000) 12.271 18.229 ( 0.521 -12.260 0.000) 12.271 19.379 ( -15.567 6.588 0.000) 16.904 19.379 ( 15.567 6.588 0.000) 16.904 19.496 ( -21.702 -4.563 0.000) 22.176 19.496 ( 21.702 -4.563 0.000) 22.176 21.096 ( -1.725 5.576 0.000) 5.836 21.096 ( 1.725 5.576 0.000) 5.836 21.310 ( -0.455 -13.189 0.000) 13.197 21.310 ( 0.455 -13.189 0.000) 13.197 26.019 ( -2.966 3.054 0.000) 4.257 26.019 ( 2.966 3.054 0.000) 4.257 26.098 ( -1.900 -4.793 0.000) 5.156 26.098 ( 1.900 -4.793 0.000) 5.156 29.299 ( -7.803 8.292 0.000) 11.386 29.299 ( 7.803 8.292 0.000) 11.386 29.478 ( -7.068 -9.312 0.000) 11.690 29.478 ( 7.068 -9.312 0.000) 11.690 30.907 ( -1.508 4.374 0.000) 4.627 30.907 ( 1.508 4.374 0.000) 4.627 31.012 ( -2.145 -5.649 0.000) 6.042 31.012 ( 2.145 -5.649 0.000) 6.042 ======================= Grid point 117 (36/140) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 0.000 26.349) 26.349 0.574 ( 0.000 0.000 28.760) 28.760 0.966 ( 0.000 0.000 47.543) 47.543 2.392 ( 0.000 0.000 -6.456) 6.456 2.906 ( 0.000 0.000 3.235) 3.235 3.043 ( 0.000 0.000 12.489) 12.489 3.304 ( 0.000 0.000 -22.116) 22.116 3.459 ( 0.000 0.000 -2.806) 2.806 4.169 ( 0.000 0.000 18.564) 18.564 4.382 ( 0.000 0.000 -13.511) 13.511 4.677 ( 0.000 0.000 -4.845) 4.845 5.248 ( 0.000 0.000 -1.456) 1.456 17.758 ( 0.000 0.000 5.618) 5.618 18.401 ( 0.000 0.000 0.804) 0.804 18.538 ( 0.000 0.000 -0.100) 0.100 19.136 ( 0.000 0.000 -10.852) 10.852 19.294 ( 0.000 0.000 4.317) 4.317 19.740 ( 0.000 0.000 3.613) 3.613 20.148 ( 0.000 0.000 -4.304) 4.304 20.414 ( 0.000 0.000 -4.189) 4.189 21.149 ( 0.000 0.000 5.735) 5.735 21.266 ( 0.000 0.000 2.859) 2.859 23.586 ( 0.000 0.000 2.316) 2.316 23.979 ( 0.000 0.000 -1.633) 1.633 24.611 ( 0.000 0.000 8.835) 8.835 26.171 ( 0.000 0.000 0.117) 0.117 26.506 ( 0.000 0.000 -3.622) 3.622 27.351 ( 0.000 0.000 -27.303) 27.303 27.626 ( 0.000 0.000 5.807) 5.807 28.527 ( 0.000 0.000 3.909) 3.909 28.546 ( 0.000 0.000 -4.258) 4.258 29.160 ( 0.000 0.000 -2.964) 2.964 29.974 ( 0.000 0.000 16.569) 16.569 31.290 ( 0.000 0.000 -6.328) 6.328 32.520 ( 0.000 0.000 9.772) 9.772 33.738 ( 0.000 0.000 -5.341) 5.341 ======================= Grid point 118 (37/140) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 18.576 0.000 18.065) 25.911 0.769 ( 19.608 0.000 18.073) 26.667 1.326 ( 28.632 0.000 35.605) 45.690 2.436 ( 4.133 0.000 -6.088) 7.359 2.859 ( -4.555 0.000 3.248) 5.594 2.984 ( -5.795 0.000 12.294) 13.592 3.169 ( -11.264 0.000 -20.119) 23.058 3.427 ( -3.136 0.000 -2.882) 4.259 3.948 ( -16.206 0.000 14.041) 21.443 4.520 ( 11.096 0.000 -13.159) 17.213 4.821 ( 7.221 0.000 -4.179) 8.343 5.155 ( -7.743 0.000 -0.048) 7.743 17.573 ( -11.965 0.000 15.756) 19.784 18.383 ( -1.578 0.000 0.940) 1.837 18.516 ( -2.152 0.000 0.582) 2.230 18.547 ( -32.851 0.000 25.419) 41.537 19.309 ( 1.557 0.000 3.500) 3.830 19.358 ( 0.838 0.000 7.032) 7.082 20.100 ( -4.593 0.000 -4.162) 6.198 20.408 ( -0.658 0.000 -6.352) 6.386 21.205 ( -5.990 0.000 3.271) 6.825 21.430 ( -3.073 0.000 -8.525) 9.062 23.642 ( 3.829 0.000 4.026) 5.556 23.770 ( 7.197 0.000 6.950) 10.004 26.154 ( 1.968 0.000 -4.820) 5.206 26.313 ( 35.493 0.000 -44.752) 57.119 26.677 ( 48.329 0.000 -44.747) 65.864 27.472 ( 12.117 0.000 -29.703) 32.079 27.651 ( 2.369 0.000 5.598) 6.079 28.374 ( -7.989 0.000 0.875) 8.036 28.693 ( 7.439 0.000 -1.111) 7.521 29.154 ( -0.654 0.000 -2.910) 2.983 29.998 ( 2.453 0.000 17.619) 17.789 31.265 ( -3.845 0.000 -2.847) 4.784 32.395 ( -17.937 0.000 28.512) 33.685 32.865 ( -40.297 0.000 36.032) 54.056 ======================= Grid point 119 (38/140) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 22.981 0.000 11.142) 25.540 1.213 ( 24.430 0.000 8.601) 25.900 1.956 ( 31.412 0.000 23.206) 39.055 2.529 ( 2.673 0.000 -3.450) 4.364 2.746 ( -4.527 0.000 1.657) 4.821 2.819 ( -9.807 0.000 11.134) 14.837 2.936 ( -10.130 0.000 -14.513) 17.698 3.333 ( -6.062 0.000 -3.111) 6.814 3.608 ( -16.372 0.000 10.850) 19.641 4.666 ( -11.693 0.000 -2.862) 12.039 4.813 ( 5.639 0.000 -13.212) 14.365 5.111 ( 3.711 0.000 0.436) 3.737 17.443 ( -1.226 0.000 13.969) 14.023 18.106 ( -16.094 0.000 14.873) 21.914 18.346 ( -1.858 0.000 1.416) 2.336 18.456 ( -3.568 0.000 1.927) 4.055 19.362 ( 3.766 0.000 1.598) 4.091 19.457 ( 7.653 0.000 -1.370) 7.775 19.971 ( -7.897 0.000 -3.743) 8.739 20.373 ( -3.680 0.000 -13.087) 13.595 21.018 ( -11.295 0.000 7.436) 13.524 21.249 ( -10.143 0.000 1.794) 10.300 23.779 ( 8.905 0.000 1.683) 9.062 23.972 ( 9.576 0.000 2.911) 10.008 26.155 ( 0.458 0.000 -1.876) 1.931 26.398 ( -2.322 0.000 -5.337) 5.820 27.575 ( 23.411 0.000 -48.101) 53.495 27.718 ( 4.237 0.000 5.036) 6.581 27.863 ( 23.298 0.000 -57.915) 62.425 28.216 ( -7.566 0.000 1.641) 7.742 28.833 ( 6.370 0.000 -1.560) 6.558 29.133 ( -1.419 0.000 -2.763) 3.106 30.075 ( 5.218 0.000 20.681) 21.329 31.054 ( -16.859 0.000 21.746) 27.516 32.007 ( -7.521 0.000 34.840) 35.642 32.536 ( -7.461 0.000 6.874) 10.145 ======================= Grid point 120 (39/140) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 21.714 0.000 7.681) 23.033 1.688 ( 22.022 0.000 6.941) 23.090 2.355 ( -2.791 0.000 11.636) 11.966 2.401 ( -13.217 0.000 3.720) 13.730 2.754 ( 9.419 0.000 9.755) 13.560 2.809 ( 8.488 0.000 -3.979) 9.375 2.814 ( -0.092 0.000 -4.448) 4.449 3.186 ( -8.443 0.000 -3.486) 9.135 3.358 ( -4.396 0.000 7.172) 8.412 4.212 ( -27.361 0.000 1.117) 27.384 5.006 ( 8.866 0.000 -11.201) 14.286 5.170 ( 1.026 0.000 -3.559) 3.704 17.484 ( 4.631 0.000 11.137) 12.061 17.825 ( -12.109 0.000 10.746) 16.190 18.319 ( -0.537 0.000 2.157) 2.223 18.383 ( -3.383 0.000 2.799) 4.390 19.464 ( 6.348 0.000 -0.394) 6.360 19.654 ( 11.778 0.000 -7.382) 13.900 19.795 ( -9.177 0.000 -3.032) 9.665 20.213 ( -12.400 0.000 -17.663) 21.581 20.864 ( -2.155 0.000 12.438) 12.624 21.062 ( -8.531 0.000 6.034) 10.449 23.962 ( 8.429 0.000 -0.153) 8.430 24.104 ( 3.048 0.000 1.046) 3.223 26.184 ( 2.462 0.000 -1.698) 2.991 26.332 ( -3.892 0.000 -2.198) 4.470 27.817 ( 5.468 0.000 4.264) 6.934 27.931 ( 14.201 0.000 -37.708) 40.293 28.070 ( -6.950 0.000 2.514) 7.391 28.163 ( 6.016 0.000 -53.510) 53.847 28.948 ( 5.000 0.000 -1.963) 5.371 29.095 ( -2.390 0.000 -2.551) 3.496 30.211 ( 8.337 0.000 25.383) 26.717 30.700 ( -16.344 0.000 33.397) 37.182 32.037 ( 6.879 0.000 12.323) 14.113 32.384 ( -8.083 0.000 4.069) 9.049 ======================= Grid point 121 (40/140) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -18.509 0.000 5.623) 19.344 2.075 ( 18.509 0.000 5.623) 19.344 2.090 ( -17.704 0.000 7.718) 19.313 2.090 ( 17.704 0.000 7.718) 19.313 2.842 ( -4.147 0.000 3.345) 5.327 2.842 ( 4.147 0.000 3.345) 5.327 3.000 ( -9.719 0.000 -3.947) 10.490 3.000 ( 9.719 0.000 -3.947) 10.490 3.639 ( -27.195 0.000 4.598) 27.581 3.639 ( 27.195 0.000 4.598) 27.581 5.139 ( -4.149 0.000 -7.558) 8.622 5.139 ( 4.149 0.000 -7.558) 8.622 17.617 ( -8.474 0.000 10.146) 13.219 17.617 ( 8.474 0.000 10.146) 13.219 18.330 ( -1.650 0.000 2.784) 3.236 18.330 ( 1.650 0.000 2.784) 3.236 19.615 ( -8.453 0.000 -1.952) 8.675 19.615 ( 8.453 0.000 -1.952) 8.675 19.925 ( -14.715 0.000 -13.092) 19.696 19.925 ( 14.715 0.000 -13.092) 19.696 20.913 ( -5.763 0.000 9.430) 11.052 20.913 ( 5.763 0.000 9.430) 11.052 24.092 ( -3.969 0.000 -0.268) 3.978 24.092 ( 3.969 0.000 -0.268) 3.978 26.251 ( -3.915 0.000 -1.358) 4.144 26.251 ( 3.915 0.000 -1.358) 4.144 27.936 ( -6.282 0.000 3.402) 7.144 27.936 ( 6.282 0.000 3.402) 7.144 28.147 ( -6.588 0.000 -43.072) 43.573 28.147 ( 6.588 0.000 -43.072) 43.573 29.035 ( -3.607 0.000 -2.287) 4.271 29.035 ( 3.607 0.000 -2.287) 4.271 30.415 ( -11.987 0.000 30.623) 32.885 30.415 ( 11.987 0.000 30.623) 32.885 32.208 ( -9.141 0.000 5.268) 10.551 32.208 ( 9.141 0.000 5.268) 10.551 ======================= Grid point 126 (41/140) ======================= q-point: ( 0.00 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 16.412 19.499) 25.487 0.796 ( 0.000 18.643 20.101) 27.416 1.360 ( 0.000 33.071 31.610) 45.748 2.516 ( 0.000 11.556 -6.273) 13.149 2.996 ( 0.000 4.454 5.621) 7.172 3.109 ( 0.000 9.099 8.113) 12.191 3.318 ( 0.000 1.990 -19.678) 19.779 3.564 ( 0.000 9.892 -3.539) 10.506 4.151 ( 0.000 -1.631 18.225) 18.298 4.370 ( 0.000 -0.978 -11.812) 11.852 4.636 ( 0.000 -3.920 -4.889) 6.266 5.214 ( 0.000 -3.296 -1.512) 3.626 17.717 ( 0.000 -3.539 5.139) 6.240 17.728 ( 0.000 -27.494 27.509) 38.893 18.546 ( 0.000 0.678 0.137) 0.692 19.113 ( 0.000 -3.949 -9.051) 9.875 19.294 ( 0.000 0.563 2.801) 2.857 19.881 ( 0.000 12.923 2.989) 13.264 19.981 ( 0.000 -14.216 -3.987) 14.764 20.463 ( 0.000 2.925 -1.749) 3.408 21.272 ( 0.000 0.325 3.040) 3.057 21.620 ( 0.000 22.484 -13.348) 26.148 23.390 ( 0.000 -18.369 2.782) 18.578 24.027 ( 0.000 -0.227 -9.239) 9.242 24.626 ( 0.000 1.440 8.542) 8.663 26.102 ( 0.000 -5.762 0.384) 5.775 26.445 ( 0.000 -4.991 -4.456) 6.690 27.012 ( 0.000 -27.952 -19.344) 33.993 27.784 ( 0.000 13.828 5.547) 14.900 28.600 ( 0.000 7.081 3.944) 8.105 29.207 ( 0.000 35.793 -39.922) 53.619 29.354 ( 0.000 16.025 -9.646) 18.704 30.003 ( 0.000 3.315 16.720) 17.046 31.237 ( 0.000 -5.079 -6.317) 8.106 32.418 ( 0.000 -9.755 9.654) 13.724 33.033 ( 0.000 -42.981 34.348) 55.019 ======================= Grid point 127 (42/140) ======================= q-point: ( 0.12 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 13.983 14.664 14.509) 24.921 0.927 ( 16.023 13.353 16.083) 26.338 1.629 ( 22.958 27.053 26.610) 44.351 2.560 ( 4.121 11.584 -5.932) 13.652 2.943 ( -5.138 4.323 5.379) 8.603 3.042 ( -6.568 7.622 6.593) 12.030 3.179 ( -11.000 2.485 -15.886) 19.481 3.544 ( -2.769 10.712 -3.042) 11.474 3.933 ( -15.801 -1.382 13.349) 20.731 4.504 ( 10.654 -1.396 -11.743) 15.917 4.777 ( 7.732 -4.085 -3.606) 9.459 5.124 ( -7.568 -2.975 -0.185) 8.134 17.520 ( -7.584 -4.557 16.844) 19.026 17.867 ( 3.790 -17.975 11.847) 21.859 18.516 ( -2.841 0.492 0.187) 2.889 18.858 ( -18.806 4.444 0.628) 19.334 19.324 ( 2.769 1.414 -0.835) 3.219 19.663 ( -9.130 22.438 5.702) 24.887 19.937 ( -4.527 -13.742 -3.407) 14.864 20.492 ( -0.050 6.007 -5.463) 8.119 21.204 ( -6.817 -0.431 3.789) 7.811 21.559 ( -7.978 10.898 -8.722) 16.078 23.487 ( 6.779 -17.292 1.353) 18.623 23.658 ( -4.811 -8.018 8.236) 12.461 25.753 ( 49.817 -31.983 -26.158) 64.721 26.108 ( 1.587 -5.762 -0.032) 5.977 26.555 ( 15.949 -6.126 -11.129) 20.390 27.116 ( 9.710 -27.771 -18.744) 34.884 27.815 ( 3.058 13.773 5.085) 14.997 28.567 ( -3.087 8.930 1.963) 9.650 29.234 ( 2.392 32.705 -36.762) 49.262 29.354 ( -0.005 16.442 -10.065) 19.278 30.029 ( 2.648 3.460 17.740) 18.267 31.232 ( -1.490 -3.358 -4.583) 5.874 32.304 ( -16.333 -8.460 27.940) 33.451 32.616 ( -21.633 -19.700 29.465) 41.524 ======================= Grid point 128 (43/140) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 21.895 8.475 8.971) 25.134 1.324 ( 21.350 9.012 10.186) 25.314 2.158 ( 26.835 19.083 18.914) 37.974 2.647 ( 1.910 10.778 -3.226) 11.411 2.811 ( -5.884 3.409 1.448) 6.952 2.853 ( -11.008 3.436 3.604) 12.082 2.976 ( -7.447 6.685 -6.915) 12.164 3.437 ( -8.008 8.308 0.385) 11.545 3.623 ( -13.443 2.777 7.403) 15.595 4.640 ( -10.605 -2.435 -2.582) 11.183 4.795 ( 5.444 -1.725 -12.514) 13.755 5.076 ( 3.617 -3.383 0.568) 4.985 17.450 ( 0.306 0.914 12.414) 12.451 17.881 ( -2.278 -11.882 9.470) 15.364 18.441 ( -4.290 0.747 0.512) 4.384 18.546 ( -11.324 7.717 3.712) 14.197 19.404 ( 4.932 2.239 -3.195) 6.289 19.567 ( -1.178 11.131 1.338) 11.273 19.815 ( -7.122 -13.320 -2.980) 15.396 20.444 ( -5.411 5.658 -13.130) 15.287 21.015 ( -9.868 -0.239 8.537) 13.051 21.360 ( -10.029 9.579 -0.642) 13.884 23.605 ( 6.611 -17.015 1.044) 18.284 23.753 ( 7.678 -20.638 4.093) 22.397 26.074 ( 1.890 -8.762 -4.387) 9.979 26.210 ( 2.646 -14.485 -3.174) 15.063 27.107 ( 26.410 -26.897 -28.904) 47.502 27.360 ( 12.934 -27.781 -17.870) 35.474 27.908 ( 6.252 12.990 3.218) 14.771 28.484 ( -4.947 11.199 -1.597) 12.347 29.288 ( 2.531 26.959 -29.616) 40.128 29.354 ( -0.030 17.616 -11.393) 20.979 30.112 ( 5.668 4.015 20.581) 21.722 31.097 ( -13.214 3.457 13.481) 19.191 31.945 ( -8.507 -5.813 33.394) 34.947 32.412 ( -6.147 -11.686 6.442) 14.692 ======================= Grid point 129 (44/140) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 21.222 5.403 6.060) 22.722 1.751 ( 20.719 6.685 8.490) 23.367 2.424 ( -8.121 7.120 7.997) 13.439 2.516 ( -13.358 9.559 3.650) 16.826 2.752 ( 1.214 0.722 -2.919) 3.243 2.827 ( 8.538 5.505 9.608) 13.983 2.969 ( 7.546 10.650 -5.567) 14.190 3.279 ( -3.518 7.282 3.113) 8.666 3.419 ( -5.885 7.756 1.783) 9.897 4.214 ( -25.936 0.277 1.433) 25.977 4.980 ( 8.583 -2.482 -10.725) 13.959 5.136 ( 1.172 -3.267 -3.342) 4.818 17.508 ( 4.918 2.356 9.894) 11.297 17.784 ( -6.854 -3.099 8.770) 11.554 18.361 ( -2.944 2.347 1.529) 4.064 18.394 ( -4.458 2.101 2.891) 5.714 19.483 ( 2.600 2.092 -1.319) 3.588 19.639 ( 5.124 -4.188 -5.987) 8.924 19.678 ( -2.388 -7.785 -3.291) 8.783 20.234 ( -14.921 0.908 -16.617) 22.352 20.915 ( 0.691 5.043 11.427) 12.509 21.169 ( -8.965 9.573 4.013) 13.715 23.749 ( 6.879 -20.762 -0.348) 21.875 23.863 ( 2.655 -23.169 1.594) 23.375 26.113 ( 2.298 -6.172 -1.983) 6.878 26.210 ( -1.590 -9.433 -0.481) 9.579 27.476 ( 11.601 -27.315 -22.644) 37.329 27.567 ( 6.496 -26.329 -17.255) 32.142 28.060 ( 8.348 10.776 -0.618) 13.646 28.371 ( -6.325 10.961 -4.177) 13.326 29.328 ( 1.400 22.599 -22.031) 31.592 29.352 ( -0.143 19.162 -13.671) 23.539 30.260 ( 9.038 5.087 24.676) 26.767 30.774 ( -16.320 7.095 28.705) 33.774 31.955 ( 6.169 -7.829 11.971) 15.577 32.278 ( -7.425 -10.189 4.010) 13.229 ======================= Grid point 130 (45/140) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -4.383 1.271 8.541) 9.684 2.080 ( 4.383 1.271 8.541) 9.684 2.221 ( -6.406 11.291 3.496) 13.444 2.221 ( 6.406 11.291 3.496) 13.444 2.815 ( -5.437 -0.325 2.610) 6.040 2.815 ( 5.437 -0.325 2.610) 6.040 3.169 ( -9.235 13.695 -3.565) 16.898 3.169 ( 9.235 13.695 -3.565) 16.898 3.669 ( -26.034 3.242 5.215) 26.749 3.669 ( 26.034 3.242 5.215) 26.749 5.109 ( -3.960 -2.943 -7.231) 8.754 5.109 ( 3.960 -2.943 -7.231) 8.754 17.634 ( -7.308 1.661 8.917) 11.648 17.634 ( 7.308 1.661 8.917) 11.648 18.341 ( -0.926 1.161 2.270) 2.713 18.341 ( 0.926 1.161 2.270) 2.713 19.550 ( -4.483 -5.776 -1.793) 7.528 19.550 ( 4.483 -5.776 -1.793) 7.528 19.913 ( -15.405 -1.536 -12.170) 19.693 19.913 ( 15.405 -1.536 -12.170) 19.693 21.004 ( -7.026 8.399 7.669) 13.368 21.004 ( 7.026 8.399 7.669) 13.368 23.856 ( -3.189 -22.969 -0.126) 23.190 23.856 ( 3.189 -22.969 -0.126) 23.190 26.165 ( -2.643 -6.739 -0.523) 7.258 26.165 ( 2.643 -6.739 -0.523) 7.258 27.611 ( -2.131 -25.560 -17.954) 31.309 27.611 ( 2.131 -25.560 -17.954) 31.309 28.227 ( -7.905 9.910 -4.011) 13.296 28.227 ( 7.905 9.910 -4.011) 13.296 29.346 ( -0.523 20.492 -16.797) 26.502 29.346 ( 0.523 20.492 -16.797) 26.502 30.479 ( -12.746 6.452 28.623) 31.990 30.479 ( 12.746 6.452 28.623) 31.990 32.114 ( -8.556 -9.031 5.057) 13.429 32.114 ( 8.556 -9.031 5.057) 13.429 ======================= Grid point 135 (46/140) ======================= q-point: ( 0.00 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 22.258 8.008) 23.655 1.229 ( 0.000 22.764 11.917) 25.695 2.095 ( 0.000 36.042 20.924) 41.676 2.818 ( 0.000 17.034 -6.254) 18.146 3.086 ( 0.000 6.147 3.769) 7.211 3.279 ( 0.000 3.998 -14.848) 15.377 3.484 ( 0.000 15.893 4.406) 16.493 3.815 ( 0.000 13.094 -6.952) 14.825 4.109 ( 0.000 -2.170 17.298) 17.433 4.360 ( 0.000 0.630 -5.105) 5.144 4.525 ( 0.000 -6.593 -5.232) 8.417 5.118 ( 0.000 -6.126 -1.711) 6.360 17.457 ( 0.000 -3.651 12.265) 12.797 17.639 ( 0.000 -3.552 3.835) 5.227 18.558 ( 0.000 0.247 0.093) 0.264 18.985 ( 0.000 -8.445 -7.806) 11.500 19.335 ( 0.000 3.654 -0.191) 3.659 19.658 ( 0.000 -16.128 -2.820) 16.372 20.218 ( 0.000 19.191 -0.174) 19.192 20.534 ( 0.000 4.253 -0.001) 4.253 21.262 ( 0.000 -1.873 4.857) 5.205 21.901 ( 0.000 5.806 -7.043) 9.128 22.905 ( 0.000 -27.434 4.159) 27.747 23.929 ( 0.000 -8.837 -10.366) 13.622 24.666 ( 0.000 2.408 7.667) 8.036 25.978 ( 0.000 -5.913 0.582) 5.942 26.312 ( 0.000 -8.100 -5.308) 9.684 26.404 ( 0.000 -28.807 -9.914) 30.465 28.105 ( 0.000 16.252 4.916) 16.980 28.803 ( 0.000 12.614 4.034) 13.243 29.532 ( 0.000 5.943 -17.184) 18.183 29.726 ( 0.000 10.346 -23.416) 25.600 30.151 ( 0.000 12.118 8.460) 14.779 31.099 ( 0.000 -8.008 -6.282) 10.178 32.141 ( 0.000 -17.045 9.386) 19.458 32.357 ( 0.000 -25.138 30.251) 39.332 ======================= Grid point 136 (47/140) ======================= q-point: ( 0.12 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 10.846 18.813 8.815) 23.436 1.289 ( 7.585 20.621 9.742) 24.035 2.272 ( 15.949 32.930 18.717) 41.098 2.863 ( 3.886 16.926 -5.903) 18.342 3.027 ( -5.929 5.564 2.657) 8.554 3.145 ( -10.955 2.900 -14.307) 18.251 3.394 ( -7.738 16.111 6.480) 19.012 3.803 ( -6.658 11.268 2.493) 13.323 3.916 ( -9.011 2.416 4.598) 10.401 4.478 ( 8.776 -0.467 -6.477) 10.917 4.664 ( 8.597 -6.894 -2.788) 11.368 5.039 ( -6.690 -5.278 -0.645) 8.546 17.455 ( 0.336 -0.489 10.367) 10.384 17.667 ( 2.331 -4.911 4.772) 7.234 18.523 ( -3.173 0.033 -0.086) 3.174 18.860 ( -10.404 -2.653 -2.762) 11.086 19.343 ( 1.605 0.800 -2.890) 3.401 19.610 ( -4.524 -16.397 -2.482) 17.189 20.113 ( -9.366 20.980 -0.259) 22.977 20.602 ( 3.156 4.828 -4.523) 7.330 21.173 ( -8.278 -3.029 6.293) 10.831 21.772 ( -10.259 8.078 -6.941) 14.787 22.980 ( 5.965 -30.227 3.119) 30.967 23.470 ( -21.455 -11.129 3.618) 24.439 25.319 ( 36.303 -12.245 -5.577) 38.717 25.992 ( 1.576 -5.431 0.694) 5.697 26.405 ( 9.719 -9.191 -7.204) 15.193 26.526 ( 11.284 -27.325 -9.474) 31.044 28.133 ( 2.686 16.066 4.750) 16.968 28.785 ( -1.882 12.720 3.455) 13.314 29.544 ( 1.135 6.303 -16.772) 17.953 29.725 ( -0.193 10.534 -23.448) 25.707 30.174 ( 2.426 11.407 10.429) 15.645 31.130 ( 2.498 -6.512 -6.411) 9.474 32.082 ( -9.835 -12.844 21.069) 26.563 32.194 ( -9.305 -21.056 19.627) 30.251 ======================= Grid point 137 (48/140) ======================= q-point: ( 0.25 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 16.142 12.254 10.354) 22.758 1.566 ( 16.789 15.093 5.011) 23.125 2.658 ( 19.879 27.532 14.170) 36.796 2.825 ( -9.578 2.716 -2.076) 10.170 2.897 ( -9.406 6.223 -8.278) 13.990 3.002 ( 1.495 15.165 0.432) 15.244 3.203 ( -9.320 11.763 2.816) 15.270 3.553 ( -11.975 4.560 10.950) 16.855 3.821 ( -4.864 15.678 -4.628) 17.055 4.579 ( -8.112 -3.041 -1.018) 8.723 4.746 ( 5.753 -3.159 -10.288) 12.203 4.983 ( 2.992 -5.482 0.760) 6.291 17.489 ( 3.109 3.045 7.947) 9.060 17.715 ( 2.054 -4.734 5.321) 7.413 18.446 ( -4.035 -0.128 -0.222) 4.044 18.645 ( -9.923 2.695 1.414) 10.379 19.410 ( 4.849 -2.216 -5.768) 7.855 19.499 ( -5.424 -15.664 -2.169) 16.718 19.864 ( -14.385 16.221 -0.316) 21.683 20.540 ( -11.146 2.136 -13.134) 17.358 21.022 ( -3.188 1.530 10.428) 11.011 21.573 ( -9.064 9.994 -4.626) 14.263 23.091 ( 4.320 -33.279 1.411) 33.588 23.239 ( -3.364 -26.705 6.534) 27.698 25.799 ( 12.915 -12.497 -4.481) 18.522 26.038 ( 2.480 -4.731 1.736) 5.616 26.692 ( 16.244 -17.542 -12.313) 26.892 26.806 ( 14.853 -24.047 -9.385) 29.782 28.212 ( 5.132 15.499 4.208) 16.860 28.725 ( -4.134 12.948 2.245) 13.776 29.576 ( 1.921 7.296 -15.978) 17.669 29.716 ( -0.788 10.684 -22.370) 24.803 30.258 ( 6.040 10.330 14.255) 18.612 31.145 ( -3.403 0.117 -0.914) 3.526 31.792 ( -11.103 -8.751 28.185) 31.531 32.096 ( -4.045 -18.467 5.882) 19.799 ======================= Grid point 138 (49/140) ======================= q-point: ( 0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 18.281 6.595 8.540) 21.228 1.904 ( 15.768 9.305 5.636) 19.156 2.622 ( -10.419 10.960 3.485) 15.518 2.671 ( -8.896 4.672 -5.146) 11.290 2.862 ( -7.244 9.114 3.740) 12.228 2.992 ( -2.401 9.902 7.432) 12.611 3.224 ( 13.590 15.149 -2.640) 20.522 3.465 ( 6.512 12.384 7.956) 16.096 3.689 ( -8.108 16.949 -4.783) 19.388 4.237 ( -21.216 2.543 2.686) 21.536 4.911 ( 7.722 -4.147 -9.086) 12.625 5.044 ( 1.522 -5.590 -2.599) 6.350 17.575 ( 5.161 4.103 6.619) 9.342 17.732 ( -0.812 -1.650 5.455) 5.757 18.381 ( -1.872 0.816 0.135) 2.047 18.476 ( -6.674 4.539 1.865) 8.284 19.396 ( -2.533 -14.185 -1.747) 14.515 19.553 ( -0.213 3.710 -5.663) 6.773 19.607 ( -1.451 -2.862 -2.831) 4.280 20.210 ( -18.780 -3.760 -12.883) 23.083 21.063 ( 5.812 9.067 7.190) 12.949 21.394 ( -8.869 11.271 -0.802) 14.365 23.162 ( 3.128 -35.493 1.113) 35.648 23.229 ( 0.306 -36.540 4.161) 36.777 25.966 ( 5.472 -6.661 -1.314) 8.720 26.069 ( 0.304 -4.062 1.994) 4.535 26.973 ( 10.711 -22.371 -12.332) 27.700 27.048 ( 7.799 -22.959 -10.812) 26.549 28.335 ( 6.886 14.607 3.196) 16.462 28.619 ( -6.215 13.225 1.548) 14.695 29.618 ( 2.141 8.558 -15.879) 18.165 29.693 ( -1.435 10.369 -19.769) 22.369 30.421 ( 10.090 10.086 17.507) 22.584 30.949 ( -14.020 8.507 14.877) 22.142 31.739 ( 3.996 -12.830 10.954) 17.337 31.997 ( -5.863 -16.660 4.027) 18.115 ======================= Grid point 139 (50/140) ======================= q-point: (-0.50 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -1.316 2.293 8.463) 8.867 2.118 ( 1.316 2.293 8.463) 8.867 2.501 ( -4.174 15.030 0.165) 15.600 2.501 ( 4.174 15.030 0.165) 15.600 2.847 ( -6.430 3.015 2.813) 7.638 2.847 ( 6.430 3.015 2.813) 7.638 3.494 ( -10.951 17.271 -4.936) 21.038 3.494 ( 10.951 17.271 -4.936) 21.038 3.791 ( -21.676 9.389 6.879) 24.604 3.791 ( 21.676 9.389 6.879) 24.604 5.026 ( -3.398 -5.033 -6.104) 8.610 5.026 ( 3.398 -5.033 -6.104) 8.610 17.677 ( -4.356 2.340 5.900) 7.698 17.677 ( 4.356 2.340 5.900) 7.698 18.384 ( -2.313 3.199 0.957) 4.062 18.384 ( 2.313 3.199 0.957) 4.062 19.410 ( -4.370 -7.383 -1.191) 8.661 19.410 ( 4.370 -7.383 -1.191) 8.661 19.850 ( -16.040 -4.797 -10.277) 19.644 19.850 ( 16.040 -4.797 -10.277) 19.644 21.215 ( -8.642 11.336 3.036) 14.574 21.215 ( 8.642 11.336 3.036) 14.574 23.215 ( -1.861 -37.901 1.988) 37.998 23.215 ( 1.861 -37.901 1.988) 37.998 26.046 ( -2.568 -4.146 0.887) 4.957 26.046 ( 2.568 -4.146 0.887) 4.957 27.105 ( -2.088 -22.957 -11.549) 25.783 27.105 ( 2.088 -22.957 -11.549) 25.783 28.481 ( -7.303 13.739 2.013) 15.689 28.481 ( 7.303 13.739 2.013) 15.689 29.659 ( -1.916 9.641 -17.210) 19.820 29.659 ( 1.916 9.641 -17.210) 19.820 30.661 ( -13.548 10.215 19.001) 25.475 30.661 ( 13.548 10.215 19.001) 25.475 31.863 ( -7.040 -14.902 4.509) 17.087 31.863 ( 7.040 -14.902 4.509) 17.087 ======================= Grid point 144 (51/140) ======================= q-point: ( 0.00 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 23.447 0.098) 23.447 1.691 ( 0.000 22.417 7.606) 23.672 2.702 ( 0.000 21.315 19.277) 28.739 3.149 ( 0.000 14.099 -7.720) 16.074 3.263 ( 0.000 7.269 -9.866) 12.255 3.395 ( 0.000 14.003 -10.553) 17.534 3.810 ( 0.000 11.897 11.125) 16.289 4.014 ( 0.000 5.816 -11.067) 12.502 4.104 ( 0.000 4.689 15.165) 15.873 4.312 ( 0.000 -8.759 -1.544) 8.894 4.517 ( 0.000 9.849 1.062) 9.906 4.973 ( 0.000 -7.819 -2.034) 8.079 17.480 ( 0.000 4.802 2.125) 5.251 17.591 ( 0.000 -0.916 1.939) 2.144 18.552 ( 0.000 -0.888 -0.800) 1.195 18.782 ( 0.000 -11.205 -6.394) 12.901 19.365 ( 0.000 -12.308 -1.929) 12.458 19.440 ( 0.000 6.392 -4.845) 8.021 20.594 ( 0.000 14.597 -6.613) 16.025 20.633 ( 0.000 5.282 0.721) 5.331 21.191 ( 0.000 -3.377 12.630) 13.074 21.862 ( 0.000 -9.049 -1.770) 9.221 22.367 ( 0.000 -23.704 5.139) 24.254 23.689 ( 0.000 -14.484 -10.038) 17.623 24.721 ( 0.000 2.953 6.157) 6.828 25.870 ( 0.000 -4.774 0.544) 4.805 25.925 ( 0.000 -17.611 -3.823) 18.021 26.120 ( 0.000 -10.771 -5.035) 11.889 28.401 ( 0.000 12.490 3.638) 13.009 29.094 ( 0.000 15.528 4.064) 16.051 29.564 ( 0.000 -2.254 -14.525) 14.698 29.791 ( 0.000 -0.821 -5.153) 5.218 30.426 ( 0.000 12.897 -2.664) 13.170 30.935 ( 0.000 -7.580 -6.215) 9.802 31.756 ( 0.000 -20.119 9.088) 22.076 31.934 ( 0.000 -17.926 18.053) 25.441 ======================= Grid point 145 (52/140) ======================= q-point: ( 0.12 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.660 19.825 4.526) 20.661 1.725 ( 5.569 21.895 4.077) 22.957 2.816 ( 9.691 17.615 16.743) 26.163 3.114 ( -9.943 3.868 -11.660) 15.804 3.222 ( 3.403 14.409 -7.228) 16.475 3.331 ( -4.556 19.297 -5.441) 20.561 3.648 ( -14.078 5.014 9.681) 17.806 3.919 ( -10.351 8.745 9.940) 16.805 4.117 ( 5.859 10.406 -10.223) 15.720 4.503 ( 10.228 -8.335 0.122) 13.195 4.538 ( 2.568 7.186 1.822) 7.846 4.921 ( -4.360 -5.898 -1.161) 7.426 17.503 ( 2.311 4.763 2.087) 5.691 17.615 ( 2.311 -0.318 2.358) 3.317 18.513 ( -3.397 -1.003 -0.956) 3.669 18.755 ( -2.908 -7.741 -4.574) 9.450 19.303 ( -5.588 -13.088 -1.859) 14.352 19.390 ( -3.298 3.992 -4.787) 7.052 20.493 ( -10.033 13.620 -7.100) 18.346 20.686 ( 1.542 3.476 -3.044) 4.871 21.096 ( -6.730 -2.270 12.900) 14.726 21.836 ( -3.356 -2.597 -3.537) 5.524 22.360 ( -0.269 -28.271 5.173) 28.742 23.202 ( -31.471 -15.158 -0.826) 34.941 25.173 ( 28.727 -3.642 0.075) 28.957 25.889 ( 2.826 -4.939 0.650) 5.727 26.059 ( 11.137 -16.618 -2.964) 20.223 26.207 ( 8.693 -11.280 -6.015) 15.459 28.426 ( 2.463 12.464 3.627) 13.212 29.069 ( -2.398 14.804 3.430) 15.384 29.587 ( 2.193 -1.482 -13.917) 14.166 29.797 ( 0.509 -0.495 -5.985) 6.027 30.431 ( 0.914 12.027 -0.737) 12.084 30.987 ( 4.704 -6.900 -6.340) 10.484 31.742 ( -1.756 -20.831 8.377) 22.521 31.833 ( -8.982 -13.812 18.293) 24.619 ======================= Grid point 146 (53/140) ======================= q-point: ( 0.25 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 8.877 12.831 8.931) 17.978 1.911 ( 11.181 18.095 0.965) 21.293 2.850 ( -9.772 1.055 -8.339) 12.890 3.004 ( 0.286 8.420 4.957) 9.775 3.193 ( -9.639 12.230 7.675) 17.361 3.341 ( 3.134 15.767 -1.907) 16.188 3.412 ( -0.987 16.534 -0.178) 16.564 3.722 ( -7.810 11.042 7.825) 15.625 4.154 ( -2.585 15.407 -8.160) 17.625 4.554 ( -5.504 1.920 3.397) 6.747 4.662 ( 7.813 -5.499 -5.479) 11.014 4.879 ( 1.855 -3.669 0.743) 4.177 17.570 ( 4.075 4.409 1.971) 6.320 17.675 ( 3.256 0.808 3.093) 4.563 18.440 ( -3.091 -0.177 -1.112) 3.290 18.665 ( -5.611 -1.198 -1.519) 5.935 19.176 ( -5.892 -14.202 -1.562) 15.455 19.368 ( 1.820 -2.195 -5.964) 6.611 20.186 ( -20.283 13.168 -5.673) 24.839 20.500 ( -19.136 -4.110 -4.499) 20.082 21.088 ( 5.780 4.202 6.275) 9.510 21.722 ( -7.112 3.985 -6.986) 10.736 22.367 ( 0.931 -35.077 5.448) 35.510 22.711 ( -16.105 -25.087 6.706) 30.557 25.633 ( 16.536 -4.787 -0.687) 17.229 25.964 ( 3.804 -2.923 1.650) 5.073 26.319 ( 13.537 -16.642 -3.644) 21.760 26.444 ( 12.950 -14.347 -6.942) 20.536 28.499 ( 4.712 12.399 3.475) 13.712 28.998 ( -4.629 13.495 2.347) 14.459 29.646 ( 3.348 0.123 -12.583) 13.021 29.805 ( 0.115 0.348 -7.876) 7.885 30.481 ( 4.403 10.213 3.527) 11.668 31.092 ( 4.308 -4.604 -5.530) 8.387 31.586 ( -11.421 -13.163 16.684) 24.126 31.720 ( -2.810 -16.142 7.666) 18.090 ======================= Grid point 147 (54/140) ======================= q-point: ( 0.38 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 12.221 5.714 9.823) 16.688 2.118 ( 7.806 10.919 2.418) 13.638 2.734 ( -0.026 3.667 -5.673) 6.755 2.865 ( -8.566 10.068 0.700) 13.238 2.974 ( -10.457 3.413 4.101) 11.740 3.218 ( -14.099 10.822 4.289) 18.284 3.592 ( 12.414 18.579 -3.536) 22.622 3.760 ( 10.879 16.151 5.439) 20.218 4.040 ( -7.834 16.524 -6.204) 19.311 4.344 ( -13.312 8.566 5.156) 16.648 4.818 ( 6.887 -4.934 -5.500) 10.101 4.931 ( 1.619 -4.567 -0.973) 4.942 17.656 ( 4.129 3.179 2.002) 5.583 17.727 ( 1.392 1.515 3.306) 3.894 18.416 ( 0.985 2.954 -1.364) 3.399 18.554 ( -4.968 2.673 -0.493) 5.663 19.115 ( 1.227 -12.976 -0.710) 13.053 19.462 ( 6.494 -7.457 -5.606) 11.367 19.720 ( -22.832 9.093 -3.745) 24.859 20.078 ( -20.305 -8.869 -7.222) 23.305 21.240 ( 8.438 6.961 0.609) 10.956 21.574 ( -7.492 5.285 -6.523) 11.252 22.392 ( 1.476 -37.552 5.845) 38.033 22.506 ( -5.830 -32.771 8.313) 34.308 25.877 ( 8.587 -2.473 0.596) 8.956 26.018 ( 1.084 -1.512 1.949) 2.694 26.566 ( 10.040 -17.137 -4.905) 20.458 26.653 ( 6.643 -16.692 -6.558) 19.125 28.613 ( 6.383 12.317 2.988) 14.191 28.886 ( -6.330 12.619 1.904) 14.245 29.713 ( 3.129 1.450 -11.247) 11.764 29.797 ( -0.939 1.320 -9.423) 9.561 30.616 ( 8.945 8.056 7.360) 14.110 31.063 ( -8.625 2.136 3.827) 9.674 31.462 ( 1.073 -13.984 8.445) 16.372 31.650 ( -4.291 -16.077 4.725) 17.297 ======================= Grid point 148 (55/140) ======================= q-point: (-0.50 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -3.192 3.270 7.703) 8.956 2.173 ( 3.192 3.270 7.703) 8.956 2.785 ( -4.956 11.151 -2.741) 12.507 2.785 ( 4.956 11.151 -2.741) 12.507 2.919 ( -12.313 5.006 2.704) 13.564 2.919 ( 12.313 5.006 2.704) 13.564 3.830 ( -10.400 15.111 -6.438) 19.441 3.830 ( 10.400 15.111 -6.438) 19.441 4.056 ( -14.379 16.012 7.395) 22.756 4.056 ( 14.379 16.012 7.395) 22.756 4.919 ( -2.880 -4.871 -3.588) 6.701 4.919 ( 2.880 -4.871 -3.588) 6.701 17.721 ( -1.973 1.895 2.618) 3.787 17.721 ( 1.973 1.895 2.618) 3.787 18.468 ( -3.619 4.650 -1.040) 5.983 18.468 ( 3.619 4.650 -1.040) 5.983 19.273 ( -14.729 -5.586 0.211) 15.754 19.273 ( 14.729 -5.586 0.211) 15.754 19.722 ( -14.447 -7.479 -8.689) 18.443 19.722 ( 14.447 -7.479 -8.689) 18.443 21.414 ( -8.464 6.804 -3.299) 11.349 21.414 ( 8.464 6.804 -3.299) 11.349 22.430 ( -2.453 -36.846 6.974) 37.581 22.430 ( 2.453 -36.846 6.974) 37.581 25.996 ( -3.378 -1.211 1.565) 3.915 25.996 ( 3.378 -1.211 1.565) 3.915 26.695 ( -2.376 -17.354 -5.820) 18.458 26.695 ( 2.376 -17.354 -5.820) 18.458 28.750 ( -6.998 12.310 2.282) 14.343 28.750 ( 6.998 12.310 2.282) 14.343 29.766 ( -2.120 1.842 -10.296) 10.673 29.766 ( 2.120 1.842 -10.296) 10.673 30.833 ( -12.077 5.694 8.823) 16.004 30.833 ( 12.077 5.694 8.823) 16.004 31.549 ( -5.474 -15.043 3.657) 16.421 31.549 ( 5.474 -15.043 3.657) 16.421 ======================= Grid point 153 (56/140) ======================= q-point: ( 0.00 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 0.000 21.773 -4.599) 22.253 2.128 ( 0.000 20.542 5.136) 21.174 2.989 ( 0.000 9.960 14.663) 17.726 3.321 ( 0.000 0.442 -12.284) 12.292 3.333 ( 0.000 3.207 -11.131) 11.584 3.837 ( 0.000 20.741 -3.257) 20.995 3.892 ( 0.000 3.103 8.317) 8.877 4.082 ( 0.000 -6.517 1.996) 6.816 4.123 ( 0.000 -0.461 -8.851) 8.863 4.367 ( 0.000 17.336 13.239) 21.813 4.733 ( 0.000 2.849 -0.571) 2.906 4.852 ( 0.000 2.288 2.161) 3.147 17.607 ( 0.000 2.521 -0.218) 2.530 17.630 ( 0.000 9.673 -4.170) 10.534 18.522 ( 0.000 -2.033 -2.094) 2.918 18.545 ( 0.000 -11.808 -4.388) 12.597 19.162 ( 0.000 -7.885 -1.703) 8.067 19.564 ( 0.000 4.271 -14.046) 14.681 20.601 ( 0.000 -11.588 5.965) 13.033 20.734 ( 0.000 4.213 1.615) 4.512 21.328 ( 0.000 16.625 8.701) 18.765 21.599 ( 0.000 -14.623 1.960) 14.754 21.984 ( 0.000 -14.346 4.599) 15.065 23.354 ( 0.000 -18.303 -7.409) 19.746 24.789 ( 0.000 3.897 3.948) 5.547 25.679 ( 0.000 -7.846 -2.544) 8.248 25.784 ( 0.000 -3.701 0.665) 3.760 25.885 ( 0.000 -11.889 -3.161) 12.302 28.609 ( 0.000 8.186 1.910) 8.406 29.410 ( 0.000 15.119 3.490) 15.517 29.452 ( 0.000 -8.372 -10.940) 13.775 29.771 ( 0.000 -0.362 0.446) 0.574 30.642 ( 0.000 8.280 -4.667) 9.504 30.810 ( 0.000 -4.436 -5.981) 7.447 31.359 ( 0.000 -18.184 8.630) 20.128 31.598 ( 0.000 -15.650 9.911) 18.525 ======================= Grid point 154 (57/140) ======================= q-point: ( 0.12 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -2.350 18.121 2.654) 18.465 2.161 ( 4.373 20.807 -0.339) 21.265 3.040 ( 0.018 6.340 4.162) 7.583 3.160 ( -6.660 2.483 -3.729) 8.027 3.432 ( 6.078 4.165 -8.712) 11.410 3.622 ( -17.222 0.970 6.988) 18.611 3.836 ( -1.818 20.292 -4.342) 20.830 4.105 ( -5.280 7.098 -0.184) 8.849 4.266 ( 12.349 -3.088 1.254) 12.791 4.395 ( 3.127 7.300 2.135) 8.224 4.720 ( -1.322 5.086 1.788) 5.550 4.857 ( 0.592 3.646 3.171) 4.868 17.606 ( 0.896 4.185 -2.411) 4.913 17.679 ( 3.651 7.517 -1.027) 8.420 18.485 ( -2.473 -2.181 -2.811) 4.333 18.566 ( 1.036 -9.800 -3.261) 10.380 19.076 ( -7.499 -9.410 -1.930) 12.186 19.497 ( -5.878 4.961 -11.898) 14.168 20.462 ( -12.018 -11.882 3.995) 17.366 20.805 ( 3.839 5.347 0.022) 6.582 21.209 ( -9.547 11.985 5.485) 16.274 21.649 ( 3.335 -13.195 4.974) 14.491 21.939 ( -4.645 -13.433 2.448) 14.422 22.868 ( -36.462 -17.301 -2.885) 40.461 25.137 ( 24.600 -0.258 1.421) 24.642 25.769 ( 7.572 -6.356 -0.538) 9.901 25.857 ( 7.323 -4.780 -0.074) 8.745 25.967 ( 7.851 -11.927 -3.640) 14.736 28.635 ( 2.573 8.309 2.016) 8.929 29.352 ( -4.314 11.052 0.316) 11.868 29.500 ( 3.468 -5.338 -7.635) 9.940 29.785 ( 1.085 0.144 -0.277) 1.129 30.627 ( -0.532 7.114 -3.561) 7.973 30.875 ( 5.413 -3.759 -5.598) 8.647 31.336 ( -2.375 -18.170 8.330) 20.129 31.559 ( -3.536 -13.449 9.451) 16.813 ======================= Grid point 155 (58/140) ======================= q-point: ( 0.25 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.916 12.404 6.966) 14.355 2.276 ( 5.649 17.439 -1.576) 18.399 2.862 ( -9.317 -0.299 -7.266) 11.819 3.188 ( 1.604 9.635 3.372) 10.333 3.243 ( -17.701 -0.480 6.934) 19.016 3.602 ( 7.443 8.353 -7.181) 13.294 3.728 ( -10.042 5.616 0.245) 11.508 4.015 ( 1.306 20.017 1.217) 20.096 4.409 ( -2.150 7.915 -6.882) 10.706 4.523 ( 11.629 -5.088 0.158) 12.694 4.674 ( -3.528 8.027 4.742) 9.968 4.881 ( 1.647 4.369 4.298) 6.346 17.645 ( 2.713 3.511 -2.610) 5.147 17.753 ( 3.061 6.023 1.303) 6.881 18.452 ( 0.168 1.571 -2.764) 3.183 18.575 ( -0.261 -7.451 -3.064) 8.060 18.920 ( -6.418 -11.070 -1.358) 12.868 19.375 ( -4.863 2.736 -8.620) 10.269 20.155 ( -17.485 -12.052 0.444) 21.241 20.647 ( -24.192 16.222 -1.433) 29.162 21.127 ( 4.543 -2.019 0.359) 4.984 21.701 ( 1.216 -11.051 4.219) 11.892 21.781 ( -10.446 -16.309 -1.630) 19.436 22.239 ( -21.186 -20.992 5.672) 30.360 25.573 ( 17.553 -1.555 0.613) 17.633 25.912 ( 5.949 -2.239 1.608) 6.556 26.069 ( 12.209 -8.200 -0.714) 14.725 26.172 ( 11.094 -12.505 -3.959) 17.179 28.711 ( 4.904 8.641 2.149) 10.165 29.248 ( -5.926 10.546 0.430) 12.104 29.582 ( 4.591 -5.977 -7.260) 10.465 29.802 ( 0.334 0.056 -2.026) 2.054 30.645 ( 2.530 5.969 -0.811) 6.533 30.998 ( 6.124 -3.944 -4.420) 8.520 31.257 ( -5.426 -16.144 8.057) 18.841 31.475 ( -4.350 -10.293 7.585) 13.506 ======================= Grid point 156 (59/140) ======================= q-point: ( 0.38 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 6.739 6.650 8.548) 12.755 2.329 ( -0.977 9.808 0.864) 9.895 2.787 ( 1.844 0.315 -1.248) 2.249 2.952 ( -9.324 2.174 2.357) 9.860 3.154 ( -4.212 11.719 -2.888) 12.784 3.385 ( -16.611 6.178 2.006) 17.836 3.840 ( 11.276 5.592 -9.757) 15.926 4.129 ( 6.360 17.366 1.400) 18.547 4.317 ( -4.700 10.025 -4.914) 12.114 4.563 ( -7.019 11.713 6.772) 15.242 4.734 ( 8.428 -1.449 -0.638) 8.575 4.903 ( -0.085 2.113 2.941) 3.623 17.706 ( 3.057 2.583 -1.571) 4.300 17.785 ( 0.048 3.570 1.854) 4.023 18.498 ( 2.936 3.967 -3.741) 6.193 18.554 ( -1.542 -3.387 -3.018) 4.792 18.892 ( 6.349 -8.042 0.758) 10.274 19.338 ( 1.254 -3.475 -4.958) 6.183 19.796 ( -17.564 -8.608 -4.363) 20.041 20.000 ( -33.948 8.541 -2.127) 35.071 21.269 ( 7.664 -5.846 -4.400) 10.596 21.556 ( -8.487 -9.801 -8.691) 15.609 21.754 ( 2.710 -20.967 10.251) 23.495 21.974 ( -8.483 -18.726 9.533) 22.661 25.848 ( 9.989 -0.707 1.118) 10.076 25.997 ( 2.061 -0.658 1.745) 2.780 26.292 ( 8.892 -9.997 -1.220) 13.435 26.357 ( 6.218 -12.563 -3.113) 14.359 28.828 ( 6.607 9.068 1.991) 11.395 29.117 ( -7.009 9.967 0.886) 12.217 29.676 ( 4.380 -5.144 -6.632) 9.468 29.793 ( -1.236 -1.325 -3.940) 4.337 30.732 ( 6.092 3.753 2.253) 7.501 31.041 ( -5.239 -3.751 2.040) 6.759 31.194 ( 2.908 -11.205 3.193) 12.009 31.389 ( -4.359 -9.850 4.671) 11.741 ======================= Grid point 157 (60/140) ======================= q-point: (-0.50 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -5.673 5.013 6.563) 10.019 2.256 ( 5.673 5.013 6.563) 10.019 2.857 ( -3.820 -1.434 1.743) 4.437 2.857 ( 3.820 -1.434 1.743) 4.437 3.132 ( -6.060 13.416 -3.819) 15.208 3.132 ( 6.060 13.416 -3.819) 15.208 4.062 ( -9.969 6.314 -9.260) 15.000 4.062 ( 9.969 6.314 -9.260) 15.000 4.395 ( -8.998 16.555 6.741) 20.012 4.395 ( 8.998 16.555 6.741) 20.012 4.862 ( -4.159 0.029 0.896) 4.254 4.862 ( 4.159 0.029 0.896) 4.254 17.761 ( -2.222 2.407 0.320) 3.291 17.761 ( 2.222 2.407 0.320) 3.291 18.529 ( -0.846 -0.162 -3.391) 3.499 18.529 ( 0.846 -0.162 -3.391) 3.499 19.210 ( -21.176 0.030 2.297) 21.301 19.210 ( 21.176 0.030 2.297) 21.301 19.573 ( -7.055 -6.302 -7.759) 12.235 19.573 ( 7.055 -6.302 -7.759) 12.235 21.413 ( -6.603 -9.025 -7.171) 13.284 21.413 ( 6.603 -9.025 -7.171) 13.284 21.835 ( -5.447 -19.020 10.246) 22.280 21.835 ( 5.447 -19.020 10.246) 22.280 25.983 ( -3.573 -0.213 1.568) 3.908 25.983 ( 3.573 -0.213 1.568) 3.908 26.403 ( -1.755 -11.568 -2.110) 11.889 26.403 ( 1.755 -11.568 -2.110) 11.889 28.971 ( -7.326 9.496 1.490) 12.086 28.971 ( 7.326 9.496 1.490) 12.086 29.751 ( -2.950 -3.314 -5.513) 7.076 29.751 ( 2.950 -3.314 -5.513) 7.076 30.882 ( -8.429 -0.176 4.225) 9.430 30.882 ( 8.429 -0.176 4.225) 9.430 31.293 ( -5.205 -9.735 2.199) 11.256 31.293 ( 5.205 -9.735 2.199) 11.256 ======================= Grid point 162 (61/140) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 0.000 18.804 -7.377) 20.199 2.519 ( 0.000 17.894 3.437) 18.221 3.171 ( 0.000 7.850 7.888) 11.128 3.284 ( 0.000 -3.695 -3.624) 5.176 3.291 ( 0.000 -6.453 -12.204) 13.805 3.849 ( 0.000 -12.172 1.504) 12.265 3.898 ( 0.000 2.788 7.145) 7.670 4.186 ( 0.000 1.073 -0.816) 1.348 4.267 ( 0.000 16.269 -7.293) 17.829 4.644 ( 0.000 -4.470 -5.318) 6.947 4.714 ( 0.000 15.954 12.534) 20.289 5.024 ( 0.000 7.435 6.243) 9.708 17.691 ( 0.000 5.658 -2.321) 6.116 17.853 ( 0.000 11.404 -9.500) 14.842 18.321 ( 0.000 -9.583 -1.398) 9.684 18.471 ( 0.000 -2.957 -3.402) 4.508 19.039 ( 0.000 -4.137 -1.925) 4.563 19.509 ( 0.000 -11.264 -20.667) 23.538 20.439 ( 0.000 0.092 20.708) 20.708 20.785 ( 0.000 0.335 3.735) 3.750 21.356 ( 0.000 -7.831 3.267) 8.485 21.607 ( 0.000 -0.126 -3.435) 3.438 21.837 ( 0.000 8.247 8.688) 11.979 22.960 ( 0.000 -20.118 -3.577) 20.434 24.889 ( 0.000 6.204 1.097) 6.300 25.520 ( 0.000 -10.346 -6.652) 12.300 25.694 ( 0.000 -4.951 2.616) 5.599 25.720 ( 0.000 -2.637 1.201) 2.898 28.751 ( 0.000 6.331 0.153) 6.333 29.254 ( 0.000 -10.372 -6.693) 12.344 29.679 ( 0.000 10.653 1.931) 10.826 29.783 ( 0.000 1.401 0.545) 1.504 30.763 ( 0.000 -0.081 -4.604) 4.605 30.767 ( 0.000 4.285 -3.763) 5.703 31.051 ( 0.000 -11.539 7.083) 13.539 31.293 ( 0.000 -14.444 5.224) 15.359 ======================= Grid point 163 (62/140) ======================= q-point: ( 0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -6.939 15.534 1.699) 17.098 2.559 ( 3.137 18.289 -3.225) 18.835 3.048 ( -12.362 -4.492 -6.327) 14.595 3.282 ( 5.244 8.093 6.899) 11.857 3.384 ( 3.037 -6.432 -5.985) 9.296 3.664 ( -10.336 2.824 -1.656) 10.842 4.019 ( -4.441 -3.955 0.218) 5.950 4.102 ( 3.646 -4.357 4.807) 7.442 4.359 ( 5.016 13.597 -5.650) 15.555 4.595 ( -0.507 5.916 -3.801) 7.051 4.795 ( 4.060 8.143 8.008) 12.121 5.018 ( -0.400 7.262 7.040) 10.123 17.704 ( 1.263 5.962 -3.341) 6.950 17.870 ( 1.280 9.965 -6.578) 12.009 18.331 ( 1.159 -9.837 -2.007) 10.106 18.477 ( 0.609 -1.961 -3.623) 4.164 18.925 ( -9.473 -4.677 -1.713) 10.703 19.478 ( -3.353 -9.188 -19.160) 21.512 20.311 ( -11.806 1.459 19.055) 22.464 20.845 ( 5.047 -1.612 3.147) 6.162 21.304 ( -5.609 -4.332 0.182) 7.089 21.584 ( -4.038 3.522 0.771) 5.413 21.733 ( -8.197 -2.997 5.656) 10.400 22.520 ( -35.825 -16.580 -2.600) 39.561 25.160 ( 20.929 2.650 0.626) 21.105 25.635 ( 10.491 -9.004 -4.888) 14.663 25.765 ( 6.408 -4.625 1.935) 8.137 25.797 ( 7.212 -2.855 1.230) 7.853 28.780 ( 2.876 6.499 0.335) 7.115 29.283 ( 2.743 -9.825 -6.687) 12.197 29.610 ( -5.350 8.527 2.417) 10.352 29.806 ( 0.864 1.481 -0.234) 1.730 30.730 ( -0.509 3.804 -3.260) 5.036 30.840 ( 4.487 0.049 -3.830) 5.900 31.038 ( -1.272 -10.727 6.777) 12.752 31.288 ( -0.556 -13.158 4.765) 14.006 ======================= Grid point 164 (63/140) ======================= q-point: ( 0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -3.372 11.311 5.406) 12.982 2.599 ( -1.288 13.422 -3.638) 13.966 2.828 ( -6.788 -2.282 -1.405) 7.298 3.224 ( -13.146 -1.302 1.769) 13.328 3.397 ( 1.630 9.951 0.143) 10.085 3.648 ( 6.391 -1.894 -10.534) 12.466 3.775 ( -13.021 1.345 2.126) 13.261 4.232 ( 3.618 -8.163 -2.031) 9.156 4.456 ( 5.085 13.183 -0.721) 14.148 4.646 ( 5.143 7.522 -4.443) 10.138 4.840 ( 0.267 8.683 7.516) 11.487 5.011 ( -0.462 6.303 7.780) 10.024 17.739 ( 2.094 6.033 -4.316) 7.708 17.885 ( -0.062 6.768 -1.396) 6.910 18.370 ( 2.351 -10.233 -2.949) 10.906 18.495 ( 0.771 -2.290 -4.901) 5.464 18.759 ( -4.012 -1.710 -0.077) 4.362 19.382 ( -5.332 -5.690 -15.824) 17.641 20.001 ( -17.910 1.871 14.261) 22.971 20.961 ( 5.597 -2.057 0.978) 6.043 21.001 ( -30.488 4.883 -4.573) 31.214 21.387 ( -10.276 -10.232 9.772) 17.487 21.614 ( -4.689 -9.184 -4.487) 11.245 21.884 ( -19.648 -13.675 2.236) 24.043 25.563 ( 17.517 0.713 0.456) 17.537 25.872 ( 9.928 -2.887 0.294) 10.343 25.927 ( 10.075 -7.285 -1.251) 12.495 25.981 ( 9.957 -4.262 1.011) 10.878 28.864 ( 5.389 6.926 0.697) 8.804 29.347 ( 2.225 -4.974 -6.417) 8.418 29.503 ( -3.939 3.196 2.898) 5.842 29.795 ( -1.929 -1.362 -1.436) 2.764 30.744 ( 1.817 4.547 -1.282) 5.062 30.939 ( 5.104 -2.072 -2.717) 6.142 31.003 ( -2.056 -8.143 5.853) 10.237 31.265 ( -1.837 -10.475 3.700) 11.260 ======================= Grid point 165 (64/140) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.114 7.504 6.883) 10.648 2.509 ( -5.577 7.328 -0.928) 9.256 2.748 ( -3.150 -2.688 5.479) 6.868 2.985 ( -9.902 -0.450 -0.071) 9.912 3.372 ( -2.230 9.478 -5.705) 11.285 3.531 ( -7.728 9.488 -1.543) 12.334 3.855 ( 10.521 -3.263 -11.160) 15.680 4.217 ( -4.833 -6.991 -8.132) 11.763 4.569 ( 6.350 14.199 2.841) 15.812 4.775 ( 4.671 7.189 3.855) 9.400 4.814 ( -0.807 8.680 4.149) 9.655 4.988 ( -2.101 4.877 6.503) 8.396 17.786 ( 2.484 5.613 -3.123) 6.887 17.871 ( -1.215 5.185 0.421) 5.342 18.407 ( 1.213 -10.053 -3.481) 10.707 18.471 ( -2.549 -8.017 -3.758) 9.213 18.871 ( 15.057 6.014 -0.234) 16.216 19.305 ( -1.227 -2.594 -9.986) 10.390 19.642 ( -16.196 -1.179 6.157) 17.367 20.182 ( -42.798 4.660 -4.046) 43.241 21.076 ( 4.998 -8.188 0.068) 9.593 21.247 ( -4.962 -11.370 2.680) 12.692 21.542 ( -1.166 -8.490 -0.328) 8.576 21.673 ( -5.958 -13.448 3.638) 15.152 25.847 ( 10.560 0.821 0.860) 10.626 25.994 ( 2.935 0.500 1.600) 3.380 26.130 ( 7.967 -7.979 -1.129) 11.332 26.155 ( 6.487 -5.921 0.335) 8.789 28.992 ( 7.086 7.417 0.889) 10.297 29.290 ( -6.548 7.144 -0.884) 9.731 29.528 ( 4.950 -8.448 -1.871) 9.968 29.733 ( -4.074 -4.793 -2.285) 6.693 30.798 ( 3.442 3.493 0.857) 4.979 30.949 ( -3.167 -3.544 3.937) 6.171 31.045 ( 4.974 -4.574 -0.651) 6.789 31.214 ( -3.189 -8.068 2.354) 8.989 ======================= Grid point 166 (65/140) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -7.030 6.760 5.366) 11.132 2.376 ( 7.030 6.760 5.366) 11.132 2.790 ( -7.923 -4.855 2.912) 9.738 2.790 ( 7.923 -4.855 2.912) 9.738 3.405 ( -4.924 13.290 -6.317) 15.517 3.405 ( 4.924 13.290 -6.317) 15.517 4.064 ( -9.595 -5.258 -10.781) 15.361 4.064 ( 9.595 -5.258 -10.781) 15.361 4.701 ( -6.172 13.055 6.037) 15.651 4.701 ( 6.172 13.055 6.037) 15.651 4.917 ( -5.080 4.072 3.957) 7.619 4.917 ( 5.080 4.072 3.957) 7.619 17.836 ( -2.274 5.355 -0.834) 5.877 17.836 ( 2.274 5.355 -0.834) 5.877 18.429 ( -1.423 -9.123 -3.500) 9.874 18.429 ( 1.423 -9.123 -3.500) 9.874 19.268 ( -14.856 4.689 1.911) 15.695 19.268 ( 14.856 4.689 1.911) 15.695 19.492 ( -15.226 -1.877 -6.449) 16.642 19.492 ( 15.226 -1.877 -6.449) 16.642 21.162 ( -3.832 -9.851 0.354) 10.576 21.162 ( 3.832 -9.851 0.354) 10.576 21.574 ( -3.781 -11.458 2.416) 12.305 21.574 ( 3.781 -11.458 2.416) 12.305 25.989 ( -3.539 0.950 1.283) 3.883 25.989 ( 3.539 0.950 1.283) 3.883 26.218 ( -0.556 -7.000 -0.267) 7.027 26.218 ( 0.556 -7.000 -0.267) 7.027 29.142 ( -7.664 7.758 0.631) 10.923 29.142 ( 7.664 7.758 0.631) 10.923 29.637 ( -5.335 -7.553 -2.665) 9.624 29.637 ( 5.335 -7.553 -2.665) 9.624 30.875 ( -3.949 0.585 2.593) 4.761 30.875 ( 3.949 0.585 2.593) 4.761 31.139 ( -4.250 -6.273 0.835) 7.623 31.139 ( 4.250 -6.273 0.835) 7.623 ======================= Grid point 171 (66/140) ======================= q-point: ( 0.00 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.000 15.413 -9.274) 17.988 2.849 ( 0.000 14.623 1.626) 14.713 3.102 ( 0.000 -11.673 -10.781) 15.890 3.106 ( 0.000 -10.321 -1.238) 10.395 3.384 ( 0.000 10.119 7.391) 12.530 3.606 ( 0.000 -11.601 3.963) 12.259 3.996 ( 0.000 6.377 2.722) 6.934 4.129 ( 0.000 -5.872 1.170) 5.987 4.503 ( 0.000 7.335 -6.124) 9.556 4.589 ( 0.000 -2.138 -5.701) 6.089 4.982 ( 0.000 9.796 9.921) 13.942 5.093 ( 0.000 -0.958 7.618) 7.678 17.830 ( 0.000 7.706 -4.634) 8.992 17.970 ( 0.000 -3.545 -9.944) 10.557 18.254 ( 0.000 5.615 -1.833) 5.906 18.392 ( 0.000 -5.384 -4.733) 7.169 19.019 ( 0.000 3.326 -3.556) 4.869 19.207 ( 0.000 -14.575 -10.761) 18.117 20.565 ( 0.000 9.287 14.408) 17.142 20.731 ( 0.000 -5.869 7.917) 9.855 21.309 ( 0.000 2.978 1.980) 3.576 21.445 ( 0.000 -9.325 -0.130) 9.326 22.170 ( 0.000 18.599 2.975) 18.835 22.555 ( 0.000 -19.520 -0.106) 19.521 25.049 ( 0.000 9.670 -2.101) 9.896 25.276 ( 0.000 -12.367 -5.123) 13.386 25.659 ( 0.000 0.134 2.851) 2.854 25.677 ( 0.000 -1.543 2.021) 2.543 28.884 ( 0.000 7.237 -1.666) 7.426 29.052 ( 0.000 -9.286 -3.797) 10.032 29.817 ( 0.000 2.764 0.296) 2.780 29.818 ( 0.000 1.622 0.079) 1.624 30.820 ( 0.000 5.644 -0.797) 5.700 30.829 ( 0.000 2.281 -1.205) 2.580 30.898 ( 0.000 -3.713 2.882) 4.700 31.021 ( 0.000 -11.924 2.316) 12.147 ======================= Grid point 172 (67/140) ======================= q-point: ( 0.12 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -10.387 12.709 0.567) 16.423 2.879 ( -7.589 2.308 -3.221) 8.561 2.921 ( -2.279 3.457 -3.877) 5.673 3.178 ( 1.932 -11.750 -6.267) 13.456 3.489 ( 7.185 10.000 2.827) 12.634 3.663 ( 0.441 -5.219 -3.107) 6.090 3.932 ( -2.932 0.355 4.874) 5.700 4.012 ( -8.222 -5.298 3.770) 10.483 4.572 ( 5.198 6.797 -6.466) 10.725 4.641 ( 4.082 -0.394 -6.552) 7.729 4.994 ( 0.990 8.508 10.247) 13.355 5.090 ( -0.262 -0.591 8.260) 8.285 17.848 ( 1.648 7.916 -5.008) 9.511 17.986 ( 1.251 -2.634 -9.339) 9.784 18.229 ( -1.981 3.724 0.029) 4.218 18.383 ( -1.266 -7.667 -4.429) 8.944 18.946 ( -5.253 7.542 -3.629) 9.882 19.195 ( -1.525 -15.359 -10.648) 18.751 20.487 ( -7.843 12.706 13.835) 20.356 20.730 ( -0.707 -9.657 7.682) 12.360 21.282 ( -2.609 3.528 1.482) 4.631 21.431 ( -1.398 -10.092 -0.326) 10.194 21.933 ( -21.521 13.407 1.665) 25.410 22.209 ( -29.489 -14.137 -1.130) 32.722 25.252 ( 16.946 6.600 -1.348) 18.236 25.425 ( 13.194 -10.168 -3.706) 17.065 25.735 ( 6.900 0.331 2.561) 7.367 25.755 ( 7.108 -1.536 1.786) 7.488 28.917 ( 3.156 7.348 -1.431) 8.124 29.085 ( 3.240 -9.256 -3.574) 10.438 29.743 ( -5.240 4.919 0.672) 7.218 29.812 ( -2.348 -1.565 -0.278) 2.836 30.824 ( 0.731 5.481 -0.380) 5.543 30.856 ( 2.128 1.264 -0.940) 2.648 30.905 ( 0.769 -2.230 2.579) 3.495 31.036 ( 1.267 -11.255 2.037) 11.508 ======================= Grid point 173 (68/140) ======================= q-point: ( 0.25 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -7.002 9.714 3.652) 12.520 2.654 ( -9.512 -6.425 0.397) 11.486 2.937 ( -2.049 11.436 -1.705) 11.742 3.141 ( -7.360 -7.572 -1.869) 10.724 3.557 ( -1.326 5.171 -5.390) 7.586 3.621 ( 0.581 -1.218 -8.840) 8.942 3.825 ( -3.701 5.750 3.090) 7.504 4.012 ( 3.045 -11.234 1.628) 11.753 4.677 ( 5.232 6.896 -4.048) 9.556 4.734 ( 5.240 0.971 -4.793) 7.168 5.008 ( 0.022 6.769 9.754) 11.873 5.080 ( -0.832 0.003 8.775) 8.814 17.888 ( 2.128 8.197 -5.533) 10.116 18.000 ( -0.032 1.461 -6.427) 6.591 18.200 ( -0.583 -2.560 1.302) 2.931 18.331 ( -3.599 -10.646 -2.008) 11.416 18.893 ( 1.428 11.721 -4.393) 12.598 19.159 ( -1.132 -13.581 -10.024) 16.918 20.230 ( -18.099 17.649 11.004) 27.571 20.629 ( -13.663 -20.089 6.253) 25.087 21.198 ( -6.311 6.763 -1.490) 9.370 21.386 ( -3.157 -11.210 -1.135) 11.702 21.415 ( -23.135 10.554 1.580) 25.478 21.651 ( -20.347 -10.980 -0.450) 23.125 25.610 ( 16.679 3.993 -0.344) 17.154 25.727 ( 15.021 -7.481 -1.478) 16.846 25.896 ( 8.015 0.952 1.849) 8.280 25.927 ( 8.847 -1.909 1.338) 9.149 29.008 ( 5.794 7.601 -0.874) 9.597 29.178 ( 5.786 -9.036 -3.034) 11.151 29.617 ( -6.992 6.098 0.947) 9.326 29.731 ( -5.321 -4.797 -0.580) 7.188 30.848 ( 1.567 5.118 0.551) 5.381 30.905 ( 2.600 -1.735 -0.322) 3.142 30.928 ( 1.299 1.150 1.871) 2.552 31.059 ( 0.642 -9.488 1.510) 9.629 ======================= Grid point 174 (69/140) ======================= q-point: ( 0.38 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 1.104 7.297 4.994) 8.911 2.547 ( -0.494 -4.176 1.659) 4.521 2.778 ( -12.017 6.233 4.227) 14.181 2.914 ( -13.374 -5.946 1.562) 14.719 3.557 ( 3.438 9.013 -8.811) 13.065 3.717 ( 5.970 -2.431 -9.837) 11.761 3.781 ( -1.415 7.001 -4.551) 8.469 4.013 ( -3.232 -11.675 -5.678) 13.379 4.790 ( 5.943 7.009 1.069) 9.251 4.852 ( 6.200 0.667 0.387) 6.248 4.984 ( -2.559 6.342 7.964) 10.497 5.047 ( -2.649 0.172 7.514) 7.969 17.934 ( 2.604 8.561 -4.199) 9.885 17.998 ( 0.078 6.212 -2.307) 6.627 18.195 ( -0.180 -8.672 -1.166) 8.752 18.259 ( -3.249 -10.862 -0.584) 11.352 19.032 ( 12.724 8.321 -4.045) 15.732 19.190 ( 5.212 -7.278 -7.563) 11.719 19.791 ( -23.192 13.267 4.894) 27.163 20.082 ( -34.718 -12.889 0.142) 37.033 21.090 ( -1.269 8.582 -0.512) 8.690 21.190 ( -4.924 5.250 3.107) 7.839 21.319 ( -2.532 -12.532 -1.516) 12.875 21.402 ( -6.447 -13.084 2.030) 14.727 25.888 ( 10.553 3.332 0.388) 11.074 25.983 ( 9.645 -5.887 -0.175) 11.301 26.021 ( 3.687 1.912 1.238) 4.334 26.073 ( 4.886 -3.112 0.848) 5.855 29.143 ( 7.412 7.819 -0.294) 10.777 29.308 ( 6.734 -7.657 -2.542) 10.509 29.469 ( -7.371 5.676 1.090) 9.367 29.608 ( -6.732 -7.060 -0.859) 9.793 30.885 ( 2.003 4.575 1.229) 5.143 30.937 ( 0.149 2.187 1.292) 2.544 30.967 ( 2.723 -3.036 0.465) 4.105 31.055 ( -1.011 -7.379 1.057) 7.523 ======================= Grid point 175 (70/140) ======================= q-point: (-0.50 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -7.998 7.467 4.360) 11.778 2.523 ( 7.998 7.467 4.360) 11.778 2.670 ( -8.563 -6.777 3.595) 11.497 2.670 ( 8.563 -6.777 3.595) 11.497 3.666 ( -5.971 12.286 -8.036) 15.848 3.666 ( 5.971 12.286 -8.036) 15.848 3.897 ( -7.582 -10.315 -9.630) 16.020 3.897 ( 7.582 -10.315 -9.630) 16.020 4.905 ( -5.042 6.722 5.269) 9.918 4.905 ( 5.042 6.722 5.269) 9.918 4.969 ( -5.017 0.197 4.700) 6.877 4.969 ( 5.017 0.197 4.700) 6.877 17.986 ( -1.889 9.399 -1.445) 9.696 17.986 ( 1.889 9.399 -1.445) 9.696 18.206 ( -1.720 -11.783 -2.267) 12.122 18.206 ( 1.720 -11.783 -2.267) 12.122 19.370 ( -14.583 5.020 -0.847) 15.446 19.370 ( 14.583 5.020 -0.847) 15.446 19.455 ( -21.684 -2.865 -3.719) 22.186 19.455 ( 21.684 -2.865 -3.719) 22.186 21.115 ( -2.767 5.145 1.689) 6.082 21.115 ( 2.767 5.145 1.689) 6.081 21.318 ( -2.312 -12.973 0.724) 13.198 21.318 ( 2.312 -12.973 0.724) 13.198 26.027 ( -3.206 2.858 0.853) 4.379 26.027 ( 3.206 2.858 0.853) 4.379 26.103 ( -2.153 -4.600 0.407) 5.096 26.103 ( 2.153 -4.600 0.407) 5.096 29.298 ( -7.599 7.881 -0.100) 10.949 29.298 ( 7.599 7.881 -0.100) 10.949 29.467 ( -6.940 -8.673 -1.030) 11.156 29.467 ( 6.940 -8.673 -1.030) 11.156 30.922 ( -1.487 3.886 1.440) 4.403 30.922 ( 1.487 3.886 1.440) 4.403 31.020 ( -2.354 -5.486 0.689) 6.010 31.020 ( 2.354 -5.486 0.689) 6.010 ======================= Grid point 234 (71/140) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 0.000 24.642) 24.642 1.144 ( 0.000 0.000 28.393) 28.393 1.868 ( 0.000 0.000 41.509) 41.509 2.202 ( 0.000 0.000 -12.461) 12.461 2.838 ( 0.000 0.000 -22.199) 22.199 2.997 ( 0.000 0.000 5.670) 5.670 3.378 ( 0.000 0.000 -5.142) 5.142 3.393 ( 0.000 0.000 20.281) 20.281 4.015 ( 0.000 0.000 -22.969) 22.969 4.510 ( 0.000 0.000 -11.808) 11.808 4.519 ( 0.000 0.000 16.358) 16.358 5.187 ( 0.000 0.000 -4.983) 4.983 17.922 ( 0.000 0.000 10.819) 10.819 18.424 ( 0.000 0.000 1.510) 1.510 18.528 ( 0.000 0.000 -1.025) 1.025 18.853 ( 0.000 0.000 -16.555) 16.555 19.423 ( 0.000 0.000 8.464) 8.464 19.843 ( 0.000 0.000 6.530) 6.530 20.023 ( 0.000 0.000 -8.046) 8.046 20.303 ( 0.000 0.000 -6.709) 6.709 21.275 ( 0.000 0.000 6.055) 6.055 21.334 ( 0.000 0.000 3.448) 3.448 23.654 ( 0.000 0.000 4.435) 4.435 23.931 ( 0.000 0.000 -3.179) 3.179 24.876 ( 0.000 0.000 17.752) 17.752 26.184 ( 0.000 0.000 1.414) 1.414 26.395 ( 0.000 0.000 -8.712) 8.712 26.708 ( 0.000 0.000 -33.287) 33.287 27.787 ( 0.000 0.000 9.962) 9.962 28.422 ( 0.000 0.000 -8.043) 8.043 28.636 ( 0.000 0.000 6.780) 6.780 29.074 ( 0.000 0.000 -5.601) 5.601 30.337 ( 0.000 0.000 18.172) 18.172 31.132 ( 0.000 0.000 -9.216) 9.216 32.767 ( 0.000 0.000 14.266) 14.266 33.584 ( 0.000 0.000 -9.977) 9.977 ======================= Grid point 235 (72/140) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 12.461 0.000 21.569) 24.909 1.194 ( 6.929 0.000 24.267) 25.237 2.072 ( 17.322 0.000 34.969) 39.024 2.256 ( 5.119 0.000 -11.869) 12.926 2.753 ( -6.388 0.000 -18.052) 19.149 2.951 ( -4.462 0.000 5.818) 7.332 3.326 ( -6.448 0.000 19.737) 20.764 3.344 ( -3.358 0.000 -5.289) 6.265 4.104 ( -2.941 0.000 -10.510) 10.914 4.213 ( -3.928 0.000 -7.501) 8.467 4.746 ( 5.997 0.000 -1.393) 6.156 5.117 ( -5.699 0.000 -4.108) 7.025 17.838 ( -6.555 0.000 13.310) 14.837 18.412 ( -1.097 0.000 1.846) 2.147 18.519 ( -0.865 0.000 -0.441) 0.971 18.698 ( -14.285 0.000 -6.688) 15.774 19.419 ( -0.318 0.000 7.428) 7.435 19.601 ( -13.417 0.000 14.042) 19.422 19.980 ( -4.168 0.000 -7.754) 8.803 20.253 ( -5.290 0.000 -8.750) 10.224 21.280 ( -4.364 0.000 3.708) 5.726 21.332 ( 0.311 0.000 -1.215) 1.254 23.723 ( 4.963 0.000 4.525) 6.716 23.904 ( 3.169 0.000 4.333) 5.368 25.501 ( 44.381 0.000 -14.895) 46.814 26.159 ( -0.997 0.000 -1.146) 1.519 26.445 ( 4.978 0.000 -6.473) 8.166 26.823 ( 10.607 0.000 -32.940) 34.606 27.805 ( 1.770 0.000 9.546) 9.708 28.354 ( -5.319 0.000 -3.850) 6.566 28.701 ( 5.082 0.000 2.792) 5.799 29.070 ( -0.462 0.000 -5.442) 5.461 30.379 ( 4.159 0.000 18.801) 19.256 31.149 ( 1.519 0.000 -7.707) 7.856 32.718 ( -4.899 0.000 13.527) 14.387 33.253 ( -27.274 0.000 4.461) 27.637 ======================= Grid point 236 (73/140) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 17.815 0.000 14.831) 23.180 1.496 ( 18.055 0.000 16.389) 24.384 2.394 ( 7.886 0.000 -9.877) 12.639 2.399 ( 9.142 0.000 4.286) 10.097 2.723 ( 8.464 0.000 10.240) 13.285 2.823 ( -7.860 0.000 5.807) 9.773 3.146 ( -10.631 0.000 18.294) 21.159 3.244 ( -6.501 0.000 -5.725) 8.662 3.775 ( -18.234 0.000 4.628) 18.812 4.434 ( 13.942 0.000 -20.664) 24.927 4.662 ( -13.949 0.000 -0.560) 13.960 5.054 ( -0.313 0.000 -5.900) 5.908 17.739 ( -2.162 0.000 15.542) 15.692 18.371 ( -16.220 0.000 7.401) 17.828 18.388 ( -1.009 0.000 2.692) 2.875 18.491 ( -1.938 0.000 1.117) 2.236 19.421 ( 0.861 0.000 4.543) 4.623 19.452 ( -2.289 0.000 2.308) 3.250 19.864 ( -7.029 0.000 -6.854) 9.817 20.093 ( -10.336 0.000 -14.217) 17.577 21.160 ( -5.972 0.000 6.392) 8.748 21.288 ( -3.924 0.000 1.780) 4.309 23.834 ( 6.398 0.000 3.951) 7.520 24.036 ( 7.005 0.000 2.535) 7.449 26.063 ( 6.897 0.000 -9.535) 11.767 26.230 ( 7.047 0.000 -8.607) 11.124 26.699 ( 22.139 0.000 -23.725) 32.450 27.081 ( 13.352 0.000 -33.183) 35.769 27.856 ( 3.197 0.000 8.400) 8.988 28.239 ( -5.784 0.000 -0.147) 5.786 28.808 ( 5.158 0.000 -0.335) 5.169 29.054 ( -1.072 0.000 -4.991) 5.105 30.503 ( 8.074 0.000 20.309) 21.855 31.173 ( 0.067 0.000 -1.877) 1.878 32.558 ( -11.787 0.000 16.120) 19.970 32.735 ( -19.089 0.000 11.427) 22.248 ======================= Grid point 237 (74/140) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 20.635 0.000 9.282) 22.627 1.872 ( 18.604 0.000 12.282) 22.293 2.446 ( -2.195 0.000 -6.220) 6.596 2.475 ( -5.314 0.000 1.527) 5.529 2.722 ( 2.991 0.000 -2.823) 4.113 2.856 ( -4.008 0.000 13.558) 14.138 3.081 ( 4.470 0.000 17.988) 18.535 3.086 ( -9.054 0.000 -6.410) 11.094 3.500 ( -1.972 0.000 7.495) 7.750 4.277 ( -22.238 0.000 6.184) 23.082 4.707 ( 12.152 0.000 -18.703) 22.304 5.028 ( -3.227 0.000 -10.540) 11.023 17.757 ( 3.625 0.000 15.346) 15.768 18.079 ( -12.387 0.000 12.487) 17.589 18.379 ( 0.245 0.000 3.553) 3.561 18.445 ( -2.474 0.000 2.865) 3.785 19.464 ( 3.560 0.000 0.733) 3.635 19.477 ( 4.472 0.000 -8.936) 9.992 19.711 ( -7.774 0.000 -5.241) 9.376 19.856 ( -12.390 0.000 -17.593) 21.518 21.085 ( -1.102 0.000 9.595) 9.658 21.196 ( -4.804 0.000 6.339) 7.954 23.972 ( 6.835 0.000 1.530) 7.004 24.124 ( 1.251 0.000 0.476) 1.338 26.144 ( 3.770 0.000 -1.988) 4.262 26.276 ( -1.081 0.000 -3.096) 3.279 27.119 ( 16.118 0.000 -35.327) 38.830 27.298 ( 6.856 0.000 -35.210) 35.872 27.931 ( 4.176 0.000 6.748) 7.936 28.126 ( -5.395 0.000 2.522) 5.956 28.903 ( 4.187 0.000 -2.150) 4.707 29.025 ( -1.920 0.000 -4.302) 4.711 30.697 ( 10.920 0.000 21.400) 24.025 31.115 ( -6.463 0.000 9.917) 11.837 32.335 ( -6.034 0.000 14.513) 15.717 32.485 ( -9.112 0.000 5.378) 10.581 ======================= Grid point 238 (75/140) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -16.045 0.000 9.042) 18.417 2.227 ( 16.045 0.000 9.042) 18.417 2.242 ( -16.698 0.000 6.261) 17.833 2.242 ( 16.698 0.000 6.261) 17.833 2.888 ( -10.152 0.000 -7.045) 12.357 2.888 ( 10.152 0.000 -7.045) 12.357 2.931 ( -11.102 0.000 4.833) 12.109 2.931 ( 11.102 0.000 4.833) 12.109 3.806 ( -23.174 0.000 12.769) 26.459 3.806 ( 23.174 0.000 12.769) 26.459 4.914 ( -8.112 0.000 -14.950) 17.009 4.914 ( 8.112 0.000 -14.950) 17.009 17.875 ( -7.947 0.000 14.406) 16.452 17.875 ( 7.947 0.000 14.406) 16.452 18.400 ( -1.780 0.000 3.768) 4.167 18.400 ( 1.780 0.000 3.768) 4.167 19.565 ( -6.359 0.000 -2.729) 6.920 19.565 ( 6.359 0.000 -2.729) 6.920 19.624 ( -9.890 0.000 -15.666) 18.527 19.624 ( 9.890 0.000 -15.666) 18.527 21.110 ( -3.229 0.000 9.322) 9.865 21.110 ( 3.229 0.000 9.322) 9.865 24.089 ( -4.277 0.000 0.029) 4.277 24.089 ( 4.277 0.000 0.029) 4.277 26.223 ( -3.712 0.000 -1.034) 3.853 26.223 ( 3.712 0.000 -1.034) 3.853 27.326 ( -4.390 0.000 -36.035) 36.302 27.326 ( 4.390 0.000 -36.035) 36.302 28.023 ( -4.849 0.000 4.772) 6.804 28.023 ( 4.849 0.000 4.772) 6.804 28.975 ( -3.004 0.000 -3.384) 4.525 28.975 ( 3.004 0.000 -3.384) 4.525 30.927 ( -11.214 0.000 19.264) 22.290 30.927 ( 11.214 0.000 19.264) 22.290 32.337 ( -4.910 0.000 6.724) 8.326 32.337 ( 4.910 0.000 6.724) 8.326 ======================= Grid point 243 (76/140) ======================= q-point: ( 0.00 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 11.169 23.635) 26.141 1.257 ( 0.000 10.517 24.842) 26.976 2.038 ( 0.000 17.345 33.456) 37.685 2.332 ( 0.000 12.000 -11.978) 16.955 2.841 ( 0.000 1.045 -21.225) 21.251 3.149 ( 0.000 11.069 7.891) 13.594 3.419 ( 0.000 4.410 17.920) 18.455 3.456 ( 0.000 6.911 -7.522) 10.215 4.055 ( 0.000 4.371 -19.168) 19.660 4.473 ( 0.000 -3.619 -11.471) 12.029 4.494 ( 0.000 -2.300 16.086) 16.250 5.153 ( 0.000 -3.347 -4.960) 5.983 17.867 ( 0.000 -4.989 9.645) 10.859 18.091 ( 0.000 -22.837 10.990) 25.344 18.540 ( 0.000 0.821 -0.956) 1.260 18.868 ( 0.000 -1.533 -14.422) 14.504 19.383 ( 0.000 -2.803 6.103) 6.715 19.868 ( 0.000 -12.788 -7.116) 14.634 19.970 ( 0.000 11.053 5.806) 12.485 20.390 ( 0.000 6.027 -5.483) 8.148 21.347 ( 0.000 1.222 4.089) 4.268 21.477 ( 0.000 15.625 -2.523) 15.827 23.473 ( 0.000 -16.965 5.404) 17.805 23.875 ( 0.000 -5.713 -6.749) 8.842 24.880 ( 0.000 0.382 16.817) 16.822 26.120 ( 0.000 -5.432 1.628) 5.671 26.316 ( 0.000 -7.098 -10.903) 13.010 26.524 ( 0.000 -15.751 -24.846) 29.418 27.940 ( 0.000 13.407 9.821) 16.619 28.704 ( 0.000 22.258 -16.779) 27.874 28.710 ( 0.000 7.140 6.822) 9.875 29.188 ( 0.000 9.865 -7.983) 12.690 30.344 ( 0.000 0.840 16.572) 16.593 31.081 ( 0.000 -4.825 -8.938) 10.157 32.660 ( 0.000 -10.288 13.766) 17.185 33.300 ( 0.000 -24.331 0.038) 24.331 ======================= Grid point 244 (77/140) ======================= q-point: ( 0.12 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 6.911 8.695 21.395) 24.106 1.317 ( 10.136 11.463 21.199) 26.145 2.216 ( 15.105 14.755 27.474) 34.651 2.387 ( 5.167 12.123 -10.956) 17.138 2.748 ( -7.018 0.391 -17.183) 18.565 3.103 ( -4.367 11.225 8.522) 14.755 3.349 ( -6.688 3.839 17.308) 18.949 3.447 ( -1.793 9.335 -6.451) 11.488 4.093 ( -9.434 -1.231 -4.307) 10.444 4.219 ( 1.610 1.189 -11.528) 11.701 4.714 ( 6.251 -3.002 -0.744) 6.974 5.085 ( -5.509 -3.067 -4.050) 7.494 17.794 ( -5.200 -4.213 12.637) 14.300 18.106 ( 0.540 -19.548 9.604) 21.786 18.512 ( -2.476 0.144 -0.778) 2.600 18.781 ( -7.985 1.494 -8.892) 12.044 19.357 ( -1.662 -3.250 4.736) 5.980 19.791 ( -8.837 4.911 3.233) 10.614 19.850 ( -6.252 -2.218 -1.865) 6.891 20.349 ( -5.332 7.039 -8.469) 12.235 21.292 ( -5.128 0.893 4.503) 6.883 21.435 ( -3.690 9.237 -3.236) 10.460 23.546 ( 5.525 -17.062 4.431) 18.474 23.785 ( -2.074 -10.752 3.078) 11.374 25.395 ( 36.528 -7.651 -5.944) 37.791 26.104 ( -0.048 -4.662 -0.921) 4.752 26.386 ( 6.188 -5.356 -7.631) 11.189 26.637 ( 10.508 -16.165 -25.837) 32.237 27.961 ( 2.027 13.505 9.271) 16.506 28.579 ( -6.285 15.636 -3.939) 17.306 28.834 ( 6.188 13.729 -5.900) 16.173 29.185 ( -0.278 10.009 -7.930) 12.773 30.387 ( 4.250 0.910 17.189) 17.730 31.106 ( 2.242 -4.154 -7.687) 9.020 32.615 ( -4.497 -9.920 12.913) 16.893 33.042 ( -22.014 -18.756 8.529) 30.152 ======================= Grid point 245 (78/140) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 15.918 6.197 13.439) 21.735 1.611 ( 17.206 9.485 16.787) 25.842 2.466 ( 2.595 5.943 -6.082) 8.891 2.518 ( 8.139 11.497 -9.256) 16.856 2.716 ( 7.462 3.413 12.707) 15.126 2.999 ( -4.057 12.588 11.161) 17.306 3.162 ( -10.861 2.607 16.390) 19.833 3.370 ( -5.660 11.605 -5.655) 14.096 3.759 ( -17.205 -1.436 3.967) 17.714 4.436 ( 13.029 0.364 -18.934) 22.987 4.645 ( -12.848 -1.539 -0.397) 12.945 5.024 ( -0.228 -2.890 -5.523) 6.238 17.724 ( -0.962 -1.441 14.547) 14.650 18.089 ( -2.495 -14.150 9.516) 17.234 18.452 ( -3.148 -0.572 0.191) 3.205 18.596 ( -9.056 5.093 -0.441) 10.399 19.350 ( 1.460 -3.030 -0.676) 3.431 19.613 ( -7.212 9.898 3.365) 12.701 19.726 ( -6.642 -10.638 -5.771) 13.805 20.169 ( -12.002 5.642 -13.761) 19.112 21.174 ( -5.127 1.317 7.087) 8.846 21.352 ( -4.360 5.740 -0.113) 7.209 23.649 ( 5.096 -17.647 3.601) 18.718 23.836 ( 4.574 -18.708 3.117) 19.510 25.925 ( 12.837 -11.315 -8.425) 19.073 26.154 ( 4.219 -4.989 -2.439) 6.974 26.613 ( 17.029 -6.983 -16.988) 25.047 26.891 ( 12.962 -15.970 -25.742) 32.950 28.020 ( 3.788 13.805 7.592) 16.204 28.454 ( -6.115 15.891 -2.323) 17.184 28.953 ( 5.439 13.211 -6.974) 15.898 29.175 ( -0.691 10.454 -7.802) 13.063 30.514 ( 8.265 1.138 18.660) 20.440 31.151 ( 1.450 -2.180 -2.782) 3.821 32.468 ( -11.215 -8.599 15.126) 20.700 32.600 ( -17.015 -12.664 11.554) 24.154 ======================= Grid point 246 (79/140) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 19.536 3.413 8.058) 21.407 1.975 ( 18.221 8.526 13.070) 23.990 2.450 ( -2.695 1.165 -8.002) 8.524 2.580 ( -6.692 8.848 2.948) 11.479 2.798 ( 2.371 5.722 3.999) 7.373 2.906 ( -4.677 6.882 5.169) 9.796 3.100 ( -1.640 3.832 12.207) 12.899 3.252 ( -5.320 13.001 -2.576) 14.281 3.525 ( 1.613 2.951 8.424) 9.071 4.284 ( -20.809 0.892 6.315) 21.765 4.696 ( 11.609 -0.973 -17.673) 21.167 5.002 ( -2.961 -2.504 -9.995) 10.721 17.757 ( 3.855 -0.077 14.212) 14.725 18.000 ( -6.171 -6.243 11.331) 14.333 18.399 ( -1.742 -0.076 1.797) 2.504 18.453 ( -4.831 1.795 2.222) 5.613 19.425 ( 5.821 -2.177 -5.397) 8.231 19.518 ( -1.825 1.847 -3.297) 4.197 19.595 ( -5.747 -9.226 -5.197) 12.048 19.895 ( -14.223 2.422 -16.322) 21.785 21.122 ( 0.072 3.414 9.027) 9.651 21.258 ( -4.887 5.454 4.156) 8.420 23.760 ( 5.638 -20.137 1.794) 20.989 23.895 ( 0.622 -21.735 1.118) 21.773 26.073 ( 5.058 -5.997 -1.434) 7.975 26.198 ( -0.172 -5.547 -0.661) 5.588 26.952 ( 13.720 -12.738 -24.994) 31.228 27.098 ( 6.501 -15.838 -26.043) 31.166 28.110 ( 4.990 14.287 4.930) 15.917 28.333 ( -5.891 15.604 -0.409) 16.685 29.049 ( 4.067 12.697 -7.521) 15.308 29.155 ( -1.400 11.172 -7.691) 13.636 30.713 ( 11.157 1.518 19.690) 22.682 31.121 ( -5.292 0.516 8.009) 9.614 32.242 ( -6.451 -8.878 13.906) 17.715 32.376 ( -8.478 -10.334 5.265) 14.366 ======================= Grid point 247 (80/140) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -14.779 1.078 5.662) 15.863 2.251 ( 14.779 1.078 5.662) 15.863 2.330 ( -14.846 9.333 8.643) 19.550 2.330 ( 14.846 9.333 8.643) 19.550 2.875 ( -7.745 0.525 2.427) 8.133 2.875 ( 7.745 0.525 2.427) 8.133 3.077 ( -8.509 11.839 -4.950) 15.397 3.077 ( 8.509 11.839 -4.950) 15.397 3.844 ( -21.783 3.913 12.644) 25.489 3.844 ( 21.783 3.913 12.644) 25.489 4.894 ( -7.746 -1.873 -14.207) 16.290 4.894 ( 7.746 -1.873 -14.207) 16.290 17.865 ( -6.517 -0.950 13.139) 14.697 17.865 ( 6.517 -0.950 13.139) 14.697 18.393 ( -1.257 -0.432 2.480) 2.814 18.393 ( 1.257 -0.432 2.480) 2.814 19.503 ( -2.610 -5.323 -2.802) 6.558 19.503 ( 2.610 -5.323 -2.802) 6.558 19.630 ( -11.168 -0.085 -14.570) 18.358 19.630 ( 11.168 -0.085 -14.570) 18.358 21.166 ( -3.831 4.976 7.621) 9.875 21.166 ( 3.831 4.976 7.621) 9.875 23.860 ( -3.759 -21.826 0.609) 22.156 23.860 ( 3.759 -21.826 0.609) 22.156 26.159 ( -3.388 -4.871 0.243) 5.938 26.159 ( 3.388 -4.871 0.243) 5.938 27.129 ( -3.654 -15.106 -26.034) 30.321 27.129 ( 3.654 -15.106 -26.034) 30.321 28.217 ( -5.573 14.950 2.039) 16.085 28.217 ( 5.573 14.950 2.039) 16.085 29.116 ( -2.553 11.999 -7.651) 14.458 29.116 ( 2.553 11.999 -7.651) 14.458 30.945 ( -11.122 1.715 17.436) 20.752 30.945 ( 11.122 1.715 17.436) 20.752 32.237 ( -4.591 -9.583 6.389) 12.399 32.237 ( 4.591 -9.583 6.389) 12.399 ======================= Grid point 252 (81/140) ======================= q-point: ( 0.00 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 13.040 19.935) 23.821 1.538 ( 0.000 16.430 18.130) 24.467 2.536 ( 0.000 29.478 20.450) 35.877 2.636 ( 0.000 16.326 -11.920) 20.215 2.886 ( 0.000 3.324 -19.360) 19.644 3.276 ( 0.000 2.207 14.155) 14.326 3.612 ( 0.000 7.657 -13.064) 15.143 3.675 ( 0.000 18.922 11.240) 22.009 4.218 ( 0.000 11.994 -9.139) 15.079 4.368 ( 0.000 -6.565 -10.296) 12.211 4.433 ( 0.000 -3.506 15.077) 15.479 5.054 ( 0.000 -6.254 -4.883) 7.935 17.716 ( 0.000 -12.996 12.206) 17.829 17.749 ( 0.000 -5.939 6.899) 9.103 18.545 ( 0.000 -0.570 -1.615) 1.713 18.781 ( 0.000 -6.604 -11.752) 13.480 19.341 ( 0.000 -1.177 1.103) 1.613 19.581 ( 0.000 -14.344 -4.691) 15.092 20.239 ( 0.000 14.580 2.619) 14.813 20.511 ( 0.000 6.000 -2.651) 6.559 21.379 ( 0.000 1.841 6.401) 6.661 21.752 ( 0.000 9.247 -7.183) 11.710 23.029 ( 0.000 -25.044 8.102) 26.322 23.697 ( 0.000 -11.593 -12.210) 16.837 24.890 ( 0.000 0.586 14.594) 14.605 25.999 ( 0.000 -6.034 1.567) 6.234 26.083 ( 0.000 -16.153 -18.777) 24.769 26.224 ( 0.000 -11.159 -5.863) 12.605 28.247 ( 0.000 15.129 9.148) 17.680 28.914 ( 0.000 12.652 6.824) 14.375 29.098 ( 0.000 13.328 -20.989) 24.863 29.425 ( 0.000 12.706 -10.426) 16.436 30.377 ( 0.000 2.554 11.695) 11.970 30.951 ( 0.000 -7.511 -8.130) 11.068 32.369 ( 0.000 -17.819 12.584) 21.815 32.750 ( 0.000 -27.616 9.129) 29.086 ======================= Grid point 253 (82/140) ======================= q-point: ( 0.12 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 7.168 13.104 16.567) 22.306 1.582 ( 6.291 14.512 18.088) 24.029 2.633 ( 6.205 21.443 3.723) 22.631 2.706 ( 5.576 18.967 -6.249) 20.733 2.792 ( -4.068 5.984 -7.988) 10.778 3.233 ( -4.008 2.315 14.820) 15.526 3.578 ( -7.446 16.186 8.260) 19.639 3.675 ( 2.060 12.020 -8.718) 14.991 4.052 ( -16.571 -2.193 3.254) 17.029 4.294 ( 5.446 6.819 -11.852) 14.718 4.634 ( 7.013 -4.441 1.233) 8.392 4.997 ( -4.702 -5.465 -3.870) 8.183 17.679 ( -1.313 -6.513 11.060) 12.902 17.802 ( 3.137 -9.663 8.176) 13.041 18.507 ( -3.384 -0.928 -1.747) 3.920 18.747 ( -3.485 -4.147 -8.680) 10.232 19.304 ( -2.424 -1.922 -0.147) 3.097 19.537 ( -4.187 -14.876 -4.634) 16.133 20.130 ( -10.001 15.232 2.325) 18.369 20.489 ( -4.310 6.571 -6.700) 10.327 21.311 ( -5.940 0.852 6.960) 9.189 21.636 ( -8.843 8.779 -5.984) 13.824 23.079 ( 4.023 -27.239 6.746) 28.349 23.505 ( -11.538 -16.213 -1.172) 19.934 25.271 ( 27.450 -4.177 2.615) 27.889 25.998 ( 1.920 -5.412 -1.072) 5.842 26.231 ( 10.796 -11.713 -13.178) 20.674 26.286 ( 7.377 -14.148 -8.994) 18.316 28.268 ( 2.062 15.130 8.681) 17.565 28.863 ( -4.267 13.453 2.496) 14.333 29.146 ( 3.984 12.520 -16.414) 21.025 29.423 ( -0.171 12.580 -10.449) 16.354 30.420 ( 4.286 2.437 12.367) 13.314 30.992 ( 3.851 -6.658 -7.410) 10.680 32.332 ( -3.552 -17.385 11.434) 21.109 32.593 ( -14.161 -23.597 11.932) 29.995 ======================= Grid point 254 (83/140) ======================= q-point: ( 0.25 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 12.249 11.867 9.825) 19.682 1.817 ( 15.198 10.077 17.088) 24.990 2.571 ( -6.066 3.976 -14.974) 16.638 2.810 ( 5.923 15.439 -8.698) 18.684 2.934 ( 5.432 16.579 11.414) 20.849 3.172 ( 2.159 6.987 18.672) 20.053 3.349 ( -14.316 12.617 9.569) 21.348 3.668 ( -3.297 16.288 -7.015) 18.038 3.733 ( -13.471 0.148 3.167) 13.839 4.462 ( 10.107 2.588 -13.892) 17.373 4.610 ( -9.485 -1.532 0.563) 9.625 4.945 ( 0.115 -4.578 -4.379) 6.337 17.685 ( 1.962 -2.253 11.058) 11.455 17.857 ( 2.130 -8.292 8.158) 11.826 18.430 ( -3.758 -1.515 -1.530) 4.331 18.641 ( -6.688 -0.126 -3.133) 7.386 19.289 ( 1.537 -3.161 -4.815) 5.961 19.432 ( -5.469 -15.108 -4.258) 16.622 19.868 ( -14.962 12.388 1.037) 19.453 20.282 ( -15.583 5.159 -12.295) 20.509 21.206 ( -2.947 1.495 7.943) 8.603 21.484 ( -5.884 6.301 -3.776) 9.412 23.154 ( 3.155 -29.857 4.913) 30.423 23.359 ( -3.413 -26.097 4.228) 26.657 25.730 ( 16.277 -6.692 -1.095) 17.633 26.065 ( 3.626 -3.748 0.624) 5.252 26.447 ( 12.186 -9.242 -11.180) 18.945 26.537 ( 13.855 -17.122 -15.781) 27.096 28.328 ( 3.830 15.097 7.268) 17.188 28.762 ( -5.473 14.263 0.202) 15.278 29.234 ( 4.432 11.778 -13.175) 18.220 29.417 ( -0.422 12.304 -10.489) 16.174 30.549 ( 8.448 2.247 13.912) 16.430 31.086 ( 4.593 -4.214 -4.434) 7.649 32.228 ( -7.692 -14.926 10.600) 19.857 32.263 ( -15.391 -19.066 13.056) 27.764 ======================= Grid point 255 (84/140) ======================= q-point: ( 0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 16.088 7.599 5.864) 18.734 2.147 ( 16.487 7.136 14.226) 22.915 2.512 ( -0.456 4.860 -8.361) 9.682 2.742 ( -9.938 6.479 7.601) 14.090 2.984 ( -5.100 13.079 3.524) 14.474 3.081 ( -7.322 6.464 2.220) 10.017 3.237 ( -0.099 10.684 4.749) 11.692 3.551 ( -8.109 14.024 -8.852) 18.460 3.664 ( 10.327 12.510 12.520) 20.491 4.328 ( -16.376 4.017 6.692) 18.141 4.676 ( 9.908 -0.637 -14.304) 17.412 4.935 ( -2.153 -3.738 -8.164) 9.234 17.752 ( 4.321 -0.516 10.567) 11.428 17.878 ( -0.320 -4.973 8.662) 9.993 18.375 ( -1.258 -1.436 -1.139) 2.223 18.499 ( -6.767 1.878 -0.580) 7.047 19.347 ( -1.298 -12.138 -3.128) 12.602 19.378 ( 6.304 -3.599 -9.172) 11.697 19.579 ( -12.123 3.111 -0.759) 12.539 19.928 ( -17.865 0.558 -13.918) 22.653 21.205 ( 2.370 4.133 6.396) 7.976 21.379 ( -4.941 5.549 -0.698) 7.463 23.213 ( 2.958 -32.016 4.003) 32.401 23.318 ( -1.671 -32.552 3.988) 32.838 25.962 ( 8.025 -3.978 1.366) 9.061 26.110 ( 0.456 -2.985 2.044) 3.647 26.687 ( 10.091 -12.827 -14.595) 21.895 26.761 ( 7.334 -16.061 -16.453) 24.133 28.419 ( 5.073 14.994 5.037) 16.611 28.647 ( -5.878 14.677 0.638) 15.823 29.316 ( 3.517 11.602 -11.697) 16.846 29.404 ( -1.002 12.024 -10.584) 16.050 30.753 ( 11.456 2.190 14.975) 18.981 31.126 ( -2.067 -0.311 3.630) 4.189 31.993 ( -7.477 -15.206 11.945) 20.732 32.095 ( -7.217 -16.425 5.205) 18.680 ======================= Grid point 256 (85/140) ======================= q-point: (-0.50 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -9.850 2.547 6.121) 11.873 2.289 ( 9.850 2.547 6.121) 11.873 2.554 ( -9.994 11.595 6.641) 16.686 2.554 ( 9.994 11.595 6.641) 16.686 2.912 ( -6.534 2.924 3.501) 7.969 2.912 ( 6.534 2.924 3.501) 7.969 3.365 ( -9.706 15.421 -7.959) 19.883 3.365 ( 9.706 15.421 -7.959) 19.883 3.979 ( -17.674 9.689 11.865) 23.388 3.979 ( 17.674 9.689 11.865) 23.388 4.846 ( -6.605 -2.462 -11.721) 13.678 4.846 ( 6.605 -2.462 -11.721) 13.678 17.838 ( -3.576 -1.657 9.701) 10.471 17.838 ( 3.576 -1.657 9.701) 10.471 18.393 ( -3.246 0.572 -0.642) 3.357 18.393 ( 3.246 0.572 -0.642) 3.357 19.378 ( -4.941 -6.318 -1.847) 8.231 19.378 ( 4.941 -6.318 -1.847) 8.231 19.606 ( -13.262 -2.475 -12.561) 18.433 19.606 ( 13.262 -2.475 -12.561) 18.433 21.280 ( -4.674 5.436 3.072) 7.799 21.280 ( 4.674 5.436 3.072) 7.799 23.273 ( -2.763 -33.725 3.572) 34.026 23.273 ( 2.763 -33.725 3.572) 34.026 26.078 ( -3.666 -2.657 2.446) 5.146 26.078 ( 3.666 -2.657 2.446) 5.146 26.815 ( -2.054 -14.933 -15.992) 21.976 26.815 ( 2.054 -14.933 -15.992) 21.976 28.529 ( -5.742 14.864 2.544) 16.136 28.529 ( 5.742 14.864 2.544) 16.136 29.373 ( -2.117 11.766 -10.919) 16.191 29.373 ( 2.117 11.766 -10.919) 16.191 30.986 ( -10.652 1.983 12.757) 16.737 30.986 ( 10.652 1.983 12.757) 16.737 31.971 ( -4.025 -15.873 5.466) 17.263 31.971 ( 4.025 -15.873 5.466) 17.263 ======================= Grid point 261 (86/140) ======================= q-point: ( 0.00 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 15.657 11.856) 19.639 1.895 ( 0.000 18.287 12.280) 22.028 2.927 ( 0.000 10.931 -14.264) 17.970 2.967 ( 0.000 4.790 -16.882) 17.548 3.127 ( 0.000 23.399 20.171) 30.893 3.341 ( 0.000 8.488 4.494) 9.604 3.771 ( 0.000 8.602 -12.554) 15.218 4.053 ( 0.000 14.672 12.261) 19.120 4.216 ( 0.000 -8.061 -8.128) 11.448 4.386 ( 0.000 1.542 12.865) 12.957 4.517 ( 0.000 15.987 -1.645) 16.071 4.908 ( 0.000 -7.649 -4.595) 8.923 17.556 ( 0.000 -3.323 5.419) 6.357 17.647 ( 0.000 -3.795 3.409) 5.101 18.513 ( 0.000 -2.460 -3.236) 4.065 18.619 ( 0.000 -8.949 -9.124) 12.781 19.317 ( 0.000 -11.365 -2.685) 11.678 19.326 ( 0.000 -0.687 -5.439) 5.482 20.523 ( 0.000 12.433 -0.502) 12.443 20.637 ( 0.000 6.434 -0.607) 6.462 21.422 ( 0.000 2.687 10.045) 10.398 21.808 ( 0.000 -3.777 -3.725) 5.304 22.528 ( 0.000 -22.773 11.059) 25.316 23.431 ( 0.000 -14.003 -15.057) 20.562 24.900 ( 0.000 0.379 11.657) 11.663 25.777 ( 0.000 -12.661 -11.429) 17.056 25.886 ( 0.000 -4.976 1.081) 5.092 26.019 ( 0.000 -9.780 -4.174) 10.633 28.510 ( 0.000 10.394 7.209) 12.649 29.202 ( 0.000 15.136 6.514) 16.478 29.237 ( 0.000 1.710 -16.778) 16.865 29.648 ( 0.000 8.105 -7.906) 11.322 30.455 ( 0.000 5.168 4.159) 6.634 30.799 ( 0.000 -6.845 -6.889) 9.712 31.967 ( 0.000 -21.013 11.211) 23.816 32.222 ( 0.000 -24.181 9.095) 25.835 ======================= Grid point 262 (87/140) ======================= q-point: ( 0.12 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 7.317 14.664 10.992) 19.733 1.903 ( 1.621 16.832 12.177) 20.838 2.823 ( -9.174 4.024 -14.899) 17.954 2.998 ( 4.080 12.155 -12.572) 17.957 3.241 ( 8.938 16.649 20.064) 27.561 3.299 ( -2.966 14.258 2.326) 14.748 3.830 ( -1.199 2.451 -10.806) 11.145 3.852 ( -11.803 7.414 6.922) 15.563 4.125 ( -6.614 12.298 5.044) 14.847 4.433 ( 2.736 1.569 -4.837) 5.775 4.608 ( 5.744 6.571 3.694) 9.477 4.880 ( -2.154 -5.145 -3.090) 6.377 17.578 ( 2.120 -2.749 5.263) 6.304 17.679 ( 3.033 -3.328 3.749) 5.859 18.471 ( -3.493 -2.600 -3.380) 5.513 18.629 ( 0.160 -7.158 -7.728) 10.535 19.252 ( -5.527 -12.022 -3.293) 13.636 19.280 ( -3.864 -1.401 -4.799) 6.319 20.409 ( -10.793 11.297 -0.851) 15.647 20.624 ( -3.705 7.326 -3.674) 8.994 21.323 ( -7.796 0.332 9.615) 12.383 21.742 ( -6.724 1.199 -5.578) 8.819 22.520 ( -0.431 -26.009 10.625) 28.098 23.148 ( -19.803 -18.435 -5.023) 27.518 25.216 ( 23.482 -1.622 5.058) 24.076 25.875 ( 7.258 -7.699 -5.225) 11.800 25.970 ( 9.278 -9.152 -3.838) 13.585 26.081 ( 6.133 -9.274 -4.989) 12.187 28.532 ( 2.202 10.556 6.948) 12.828 29.128 ( -4.604 11.106 -1.490) 12.114 29.310 ( 4.445 5.711 -8.743) 11.350 29.643 ( -0.485 8.057 -8.204) 11.509 30.490 ( 3.563 4.399 5.232) 7.708 30.856 ( 5.279 -6.201 -6.570) 10.463 31.936 ( -3.170 -20.959 10.266) 23.552 32.131 ( -8.465 -21.502 9.887) 25.134 ======================= Grid point 263 (88/140) ======================= q-point: ( 0.25 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 8.680 14.724 5.663) 18.006 2.016 ( 10.805 9.764 14.670) 20.671 2.647 ( -6.439 3.667 -10.407) 12.775 3.065 ( -2.846 9.090 -1.929) 9.719 3.221 ( 2.070 11.128 -4.299) 12.108 3.421 ( -5.628 7.785 12.480) 15.749 3.529 ( -4.928 12.143 8.345) 15.537 3.794 ( -5.770 6.880 -2.778) 9.400 4.020 ( -3.499 16.499 -1.989) 16.983 4.522 ( 6.371 1.212 -8.598) 10.770 4.627 ( -4.381 5.104 4.019) 7.835 4.869 ( 1.227 -1.436 -1.875) 2.661 17.639 ( 3.887 -2.064 5.025) 6.680 17.755 ( 4.069 -1.870 4.552) 6.385 18.396 ( -3.363 -1.618 -3.184) 4.906 18.601 ( -3.115 -3.806 -5.343) 7.262 19.135 ( -5.043 -13.610 -2.430) 14.717 19.225 ( -0.243 -2.860 -6.933) 7.504 20.102 ( -19.159 9.380 -1.718) 21.401 20.384 ( -20.454 6.023 -6.868) 22.401 21.219 ( -0.940 -0.620 6.447) 6.545 21.578 ( -7.793 2.579 -6.782) 10.648 22.521 ( 0.495 -30.494 9.399) 31.914 22.828 ( -11.229 -25.796 3.799) 28.389 25.644 ( 17.325 -2.508 2.508) 17.685 26.000 ( 5.030 -2.801 1.569) 5.968 26.225 ( 12.859 -12.097 -6.288) 18.741 26.262 ( 11.597 -9.802 -9.505) 17.914 28.596 ( 3.992 10.952 6.065) 13.140 29.028 ( -5.276 11.422 -1.110) 12.631 29.403 ( 4.661 5.551 -8.735) 11.351 29.628 ( -0.949 7.757 -8.713) 11.704 30.602 ( 7.623 2.908 7.491) 11.076 30.990 ( 7.263 -4.816 -5.036) 10.065 31.831 ( -7.850 -21.134 9.017) 24.281 31.925 ( -10.149 -15.844 9.797) 21.213 ======================= Grid point 264 (89/140) ======================= q-point: ( 0.38 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 10.509 9.478 4.384) 14.815 2.260 ( 11.472 4.638 13.051) 17.984 2.617 ( 4.025 4.978 -4.132) 7.620 2.894 ( -9.383 8.930 3.389) 13.389 3.119 ( -14.714 -0.052 8.180) 16.835 3.263 ( -10.770 11.190 -0.385) 15.535 3.469 ( 4.408 9.327 -7.843) 12.959 3.810 ( -1.664 12.779 -6.138) 14.274 4.001 ( 6.812 18.010 7.579) 20.693 4.467 ( -10.066 9.737 6.811) 15.573 4.679 ( 7.769 0.946 -8.322) 11.424 4.878 ( -1.099 -0.659 -4.247) 4.436 17.726 ( 4.386 -1.993 5.032) 6.967 17.818 ( 1.451 -0.938 5.559) 5.822 18.361 ( 0.431 0.307 -4.232) 4.265 18.513 ( -5.063 -0.699 -4.263) 6.656 19.098 ( 2.583 -11.277 -0.849) 11.601 19.296 ( 7.417 -4.850 -9.290) 12.839 19.670 ( -22.350 5.772 -0.931) 23.102 19.915 ( -22.769 -1.484 -8.181) 24.239 21.261 ( 3.982 0.697 1.568) 4.336 21.451 ( -5.160 1.004 -5.275) 7.447 22.540 ( 1.478 -32.378 8.231) 33.441 22.668 ( -5.485 -30.150 6.716) 31.372 25.912 ( 9.714 -1.339 3.312) 10.350 26.068 ( 1.414 -1.451 3.011) 3.629 26.440 ( 8.405 -11.179 -7.147) 15.707 26.476 ( 7.573 -11.947 -10.541) 17.641 28.689 ( 5.159 11.381 4.455) 13.266 28.916 ( -5.729 11.682 0.339) 13.015 29.492 ( 4.014 5.810 -8.991) 11.433 29.603 ( -1.602 7.161 -8.998) 11.611 30.791 ( 10.773 1.348 9.213) 14.239 31.101 ( 1.835 -2.150 0.013) 2.827 31.648 ( -7.066 -18.099 8.658) 21.271 31.759 ( -7.227 -15.700 5.282) 18.073 ======================= Grid point 265 (90/140) ======================= q-point: (-0.50 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -4.710 3.227 7.910) 9.755 2.348 ( 4.710 3.227 7.910) 9.755 2.771 ( -8.243 9.441 2.189) 12.723 2.771 ( 8.243 9.441 2.189) 12.723 2.978 ( -8.445 3.302 3.726) 9.803 2.978 ( 8.445 3.302 3.726) 9.803 3.657 ( -10.218 12.277 -10.904) 19.340 3.657 ( 10.218 12.277 -10.904) 19.340 4.234 ( -12.645 14.906 10.026) 21.969 4.234 ( 12.645 14.906 10.026) 21.969 4.815 ( -5.177 0.003 -6.838) 8.576 4.815 ( 5.177 0.003 -6.838) 8.576 17.802 ( -2.759 -1.659 5.535) 6.403 17.802 ( 2.759 -1.659 5.535) 6.403 18.415 ( -4.336 1.208 -4.781) 6.567 18.415 ( 4.336 1.208 -4.781) 6.567 19.273 ( -14.968 -3.433 -0.210) 15.358 19.273 ( 14.968 -3.433 -0.210) 15.358 19.528 ( -15.297 -5.099 -9.211) 18.570 19.528 ( 15.297 -5.099 -9.211) 18.570 21.353 ( -4.796 1.001 -2.324) 5.423 21.353 ( 4.796 1.001 -2.324) 5.423 22.585 ( -3.046 -32.288 7.548) 33.298 22.585 ( 3.046 -32.288 7.548) 33.298 26.046 ( -3.733 -0.827 3.588) 5.244 26.046 ( 3.733 -0.827 3.588) 5.244 26.541 ( -1.125 -11.827 -9.087) 14.957 26.541 ( 1.125 -11.827 -9.087) 14.957 28.800 ( -5.720 11.662 2.360) 13.202 28.800 ( 5.720 11.662 2.360) 13.202 29.560 ( -2.726 6.445 -9.068) 11.454 29.560 ( 2.726 6.445 -9.068) 11.454 31.010 ( -9.661 0.050 7.948) 12.510 31.010 ( 9.661 0.050 7.948) 12.510 31.631 ( -4.512 -16.596 3.967) 17.650 31.631 ( 4.512 -16.596 3.967) 17.650 ======================= Grid point 270 (91/140) ======================= q-point: ( 0.00 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.000 16.533 4.097) 17.033 2.263 ( 0.000 17.690 7.840) 19.349 3.053 ( 0.000 1.763 -15.956) 16.053 3.060 ( 0.000 4.031 -12.103) 12.756 3.313 ( 0.000 4.104 14.716) 15.278 3.769 ( 0.000 23.984 0.083) 23.984 3.924 ( 0.000 1.481 -10.254) 10.360 4.092 ( 0.000 0.243 -1.595) 1.613 4.130 ( 0.000 -3.128 12.123) 12.520 4.616 ( 0.000 17.106 11.187) 20.439 4.675 ( 0.000 -6.091 -4.892) 7.812 4.900 ( 0.000 11.975 1.598) 12.082 17.560 ( 0.000 3.243 -1.950) 3.784 17.604 ( 0.000 -0.322 -0.136) 0.349 18.433 ( 0.000 -9.049 -6.190) 10.964 18.450 ( 0.000 -3.628 -5.037) 6.207 19.123 ( 0.000 -7.827 -1.911) 8.057 19.289 ( 0.000 -3.560 -11.659) 12.190 20.706 ( 0.000 5.402 4.164) 6.820 20.765 ( 0.000 5.956 1.256) 6.087 21.505 ( 0.000 5.330 7.607) 9.288 21.641 ( 0.000 -10.902 1.773) 11.045 22.153 ( 0.000 -13.236 12.746) 18.375 23.143 ( 0.000 -14.419 -13.503) 19.755 24.908 ( 0.000 0.490 7.937) 7.953 25.564 ( 0.000 -9.374 -9.163) 13.109 25.800 ( 0.000 -3.432 0.871) 3.541 25.837 ( 0.000 -7.447 -1.243) 7.550 28.671 ( 0.000 5.811 4.420) 7.301 29.206 ( 0.000 -4.109 -12.743) 13.389 29.500 ( 0.000 13.522 5.099) 14.452 29.751 ( 0.000 2.796 -2.253) 3.591 30.575 ( 0.000 6.302 -1.713) 6.530 30.694 ( 0.000 -3.129 -5.229) 6.094 31.548 ( 0.000 -19.613 9.622) 21.846 31.769 ( 0.000 -20.631 5.862) 21.448 ======================= Grid point 271 (92/140) ======================= q-point: ( 0.12 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 4.754 15.071 5.062) 16.594 2.247 ( -0.758 16.726 7.505) 18.349 2.889 ( -9.737 2.299 -10.754) 14.688 3.164 ( 5.252 4.180 -14.377) 15.867 3.335 ( 1.036 3.843 9.420) 10.226 3.727 ( -12.390 1.685 2.498) 12.751 3.833 ( 0.760 16.187 2.182) 16.351 4.029 ( -1.585 7.022 -2.505) 7.622 4.291 ( 7.947 -0.181 0.613) 7.973 4.456 ( -8.437 3.554 1.013) 9.211 4.768 ( 3.353 6.433 3.916) 8.244 4.919 ( 1.691 10.974 2.209) 11.321 17.566 ( 1.308 1.318 -0.806) 2.024 17.662 ( 4.733 1.662 -0.852) 5.088 18.401 ( -1.941 -4.690 -5.032) 7.148 18.478 ( 1.340 -6.874 -5.554) 8.938 19.033 ( -7.428 -9.090 -1.825) 11.879 19.251 ( -3.650 -2.561 -10.986) 11.857 20.559 ( -12.864 4.269 5.283) 14.547 20.793 ( -0.506 8.278 -1.483) 8.425 21.330 ( -12.102 0.280 6.469) 13.725 21.693 ( 0.250 -5.058 -1.721) 5.349 22.086 ( -6.013 -15.861 12.252) 20.924 22.777 ( -27.581 -17.802 -6.401) 33.446 25.193 ( 21.739 -0.834 4.463) 22.208 25.699 ( 12.261 -8.737 -7.300) 16.732 25.858 ( 5.280 -3.592 0.575) 6.412 25.910 ( 6.946 -6.829 -1.451) 9.849 28.698 ( 2.643 6.086 4.386) 7.954 29.212 ( 0.248 -1.905 -11.638) 11.795 29.486 ( -0.868 10.639 4.120) 11.442 29.749 ( -0.372 3.078 -3.061) 4.357 30.587 ( 1.855 4.864 -0.250) 5.212 30.763 ( 6.034 -2.415 -5.196) 8.321 31.519 ( -2.922 -19.292 9.266) 21.600 31.724 ( -4.248 -18.748 5.765) 20.069 ======================= Grid point 272 (93/140) ======================= q-point: ( 0.25 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 5.815 9.913 10.756) 15.741 2.279 ( 4.371 14.796 2.686) 15.660 2.716 ( -5.755 2.920 -6.556) 9.199 3.227 ( -2.934 7.688 -1.234) 8.320 3.359 ( -1.874 -2.016 -6.003) 6.604 3.417 ( -8.267 2.157 1.683) 8.708 3.779 ( -13.871 4.602 2.829) 14.886 4.018 ( 5.042 14.717 -0.595) 15.568 4.298 ( -3.584 9.616 -3.165) 10.739 4.508 ( 10.179 -0.232 -2.113) 10.398 4.787 ( -1.482 9.842 6.191) 11.721 4.952 ( 1.063 8.877 2.288) 9.229 17.616 ( 3.475 0.245 0.170) 3.488 17.766 ( 4.830 2.351 -0.127) 5.373 18.367 ( -0.926 -1.415 -5.087) 5.361 18.490 ( -0.378 -6.771 -5.637) 8.818 18.895 ( -4.556 -9.675 -0.488) 10.705 19.175 ( -2.552 -2.490 -10.009) 10.625 20.204 ( -21.324 2.022 4.514) 21.891 20.585 ( -23.855 13.450 -4.808) 27.804 21.165 ( -1.488 -4.860 3.622) 6.242 21.580 ( -10.062 -2.615 -8.353) 13.336 21.979 ( -2.887 -22.246 12.612) 25.735 22.328 ( -14.663 -23.075 2.595) 27.463 25.606 ( 17.738 -1.429 3.041) 18.053 25.948 ( 7.926 -2.645 1.211) 8.443 26.020 ( 12.372 -8.253 -4.859) 15.645 26.091 ( 10.040 -6.691 -2.717) 12.368 28.773 ( 4.698 6.827 4.101) 9.247 29.194 ( -2.412 4.277 -6.850) 8.428 29.491 ( 1.792 3.750 -0.195) 4.160 29.731 ( -1.451 2.792 -4.595) 5.569 30.663 ( 5.639 3.122 2.584) 6.944 30.909 ( 7.896 -2.751 -4.358) 9.429 31.429 ( -5.955 -17.776 8.563) 20.611 31.612 ( -6.482 -14.870 4.986) 16.970 ======================= Grid point 273 (94/140) ======================= q-point: ( 0.38 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 6.486 5.736 12.026) 14.819 2.369 ( 4.106 7.886 3.742) 9.646 2.719 ( 6.229 5.126 -3.315) 8.722 3.047 ( -10.594 1.638 4.981) 11.821 3.139 ( -8.961 6.536 1.501) 11.192 3.407 ( -19.563 3.085 1.220) 19.843 3.585 ( 11.239 2.648 -15.093) 19.003 4.016 ( -6.942 5.193 -11.230) 14.187 4.354 ( 8.940 16.605 6.910) 20.085 4.692 ( 0.941 9.102 1.788) 9.324 4.729 ( 2.277 7.226 3.608) 8.391 4.945 ( -1.968 6.751 0.929) 7.093 17.698 ( 4.431 -0.058 1.207) 4.593 17.822 ( 0.272 1.129 1.800) 2.142 18.379 ( 1.795 0.609 -7.658) 7.889 18.460 ( -2.257 -4.681 -6.512) 8.332 18.915 ( 8.111 -6.204 1.687) 10.350 19.199 ( 5.653 -4.366 -7.961) 10.696 19.752 ( -22.591 0.442 0.281) 22.597 19.941 ( -34.493 6.235 -3.454) 35.222 21.213 ( 4.274 -5.283 -0.920) 6.857 21.406 ( -6.329 -5.485 -6.283) 10.470 21.965 ( 1.049 -23.483 9.890) 25.503 22.127 ( -6.984 -22.920 5.481) 24.580 25.892 ( 10.535 -0.876 3.469) 11.126 26.045 ( 2.313 -0.874 3.013) 3.898 26.247 ( 8.333 -8.152 -3.928) 12.302 26.272 ( 6.921 -7.970 -4.553) 11.496 28.881 ( 5.835 7.778 3.187) 10.232 29.116 ( -5.057 8.010 -1.664) 9.618 29.553 ( 3.825 0.117 -4.350) 5.793 29.691 ( -2.531 1.595 -5.655) 6.397 30.808 ( 8.440 0.613 4.997) 9.828 31.048 ( 4.023 -2.709 -1.106) 4.975 31.303 ( -4.664 -14.876 6.646) 16.948 31.475 ( -6.990 -12.361 3.106) 14.536 ======================= Grid point 274 (95/140) ======================= q-point: (-0.50 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -1.510 4.220 8.998) 10.052 2.422 ( 1.510 4.220 8.998) 10.052 2.898 ( -8.624 1.754 1.409) 8.913 2.898 ( 8.624 1.754 1.409) 8.913 3.076 ( -8.941 7.778 0.317) 11.855 3.076 ( 8.941 7.778 0.317) 11.855 3.820 ( -11.359 3.199 -14.509) 18.702 3.820 ( 11.359 3.199 -14.509) 18.702 4.550 ( -9.296 15.535 8.149) 19.853 4.550 ( 9.296 15.535 8.149) 19.853 4.867 ( -5.806 5.118 -0.700) 7.771 4.867 ( 5.806 5.118 -0.700) 7.771 17.783 ( -3.600 0.198 2.171) 4.208 17.783 ( 3.600 0.198 2.171) 4.208 18.417 ( -1.887 -1.759 -7.767) 8.185 18.417 ( 1.887 -1.759 -7.767) 8.185 19.254 ( -24.253 1.536 1.394) 24.342 19.254 ( 24.253 1.536 1.394) 24.342 19.419 ( -15.831 -4.915 -6.021) 17.636 19.419 ( 15.831 -4.915 -6.021) 17.636 21.304 ( -4.511 -5.715 -3.737) 8.184 21.304 ( 4.511 -5.715 -3.737) 8.184 22.017 ( -4.058 -23.207 7.428) 24.703 22.017 ( 4.058 -23.207 7.428) 24.703 26.034 ( -3.649 -0.529 3.523) 5.100 26.034 ( 3.649 -0.529 3.523) 5.100 26.339 ( -0.636 -8.185 -4.258) 9.248 26.339 ( 0.636 -8.185 -4.258) 9.248 29.002 ( -6.004 8.470 1.380) 10.473 29.002 ( 6.004 8.470 1.380) 10.473 29.629 ( -3.537 0.268 -5.774) 6.777 29.629 ( 3.537 0.268 -5.774) 6.777 30.985 ( -8.243 -2.243 5.477) 10.148 30.985 ( 8.243 -2.243 5.477) 10.148 31.336 ( -6.208 -11.868 1.700) 13.501 31.336 ( 6.208 -11.868 1.700) 13.501 ======================= Grid point 279 (96/140) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.000 15.252 -1.761) 15.353 2.601 ( 0.000 15.241 3.911) 15.735 3.023 ( 0.000 -4.078 -13.165) 13.782 3.113 ( 0.000 0.739 -7.267) 7.305 3.404 ( 0.000 4.929 8.944) 10.213 3.806 ( 0.000 -8.301 -5.150) 9.768 4.060 ( 0.000 -2.210 8.431) 8.716 4.181 ( 0.000 15.908 -1.169) 15.951 4.199 ( 0.000 3.763 1.476) 4.042 4.529 ( 0.000 -5.437 -6.146) 8.206 4.946 ( 0.000 14.324 10.280) 17.632 5.134 ( 0.000 9.015 4.128) 9.915 17.633 ( 0.000 3.038 -3.242) 4.443 17.665 ( 0.000 6.230 -8.011) 10.148 18.268 ( 0.000 -6.726 -3.432) 7.551 18.369 ( 0.000 -4.403 -6.477) 7.832 18.996 ( 0.000 -4.615 -2.016) 5.036 19.172 ( 0.000 -7.704 -12.473) 14.660 20.781 ( 0.000 3.261 12.694) 13.106 20.868 ( 0.000 3.852 4.049) 5.589 21.437 ( 0.000 -7.795 4.390) 8.946 21.556 ( 0.000 -2.732 -1.611) 3.171 22.051 ( 0.000 4.280 12.813) 13.509 22.843 ( 0.000 -15.100 -8.373) 17.266 24.931 ( 0.000 2.180 3.398) 4.037 25.364 ( 0.000 -10.364 -8.775) 13.580 25.737 ( 0.000 -2.567 1.714) 3.086 25.747 ( 0.000 -1.892 1.306) 2.299 28.764 ( 0.000 3.944 1.474) 4.210 29.093 ( 0.000 -6.565 -8.758) 10.945 29.725 ( 0.000 8.171 2.361) 8.506 29.790 ( 0.000 1.533 0.130) 1.539 30.687 ( 0.000 2.761 -2.814) 3.942 30.698 ( 0.000 5.680 -2.817) 6.340 31.197 ( 0.000 -14.621 7.173) 16.285 31.382 ( 0.000 -17.528 2.965) 17.777 ======================= Grid point 280 (97/140) ======================= q-point: ( 0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 1.493 13.820 0.674) 13.917 2.569 ( -1.936 14.806 3.562) 15.351 2.903 ( -8.746 -1.300 -7.560) 11.634 3.170 ( 4.078 -3.303 -12.153) 13.238 3.431 ( 1.519 5.508 6.118) 8.371 3.667 ( -11.773 -2.629 -0.037) 12.063 4.038 ( -6.103 -2.093 1.978) 6.748 4.155 ( 0.550 3.230 1.001) 3.426 4.318 ( 8.193 6.950 0.962) 10.787 4.488 ( -0.984 2.370 -5.592) 6.153 4.983 ( 2.451 12.079 9.079) 15.308 5.138 ( 0.328 8.694 4.456) 9.775 17.623 ( 0.539 4.187 -3.986) 5.806 17.734 ( 4.981 4.651 -6.330) 9.301 18.275 ( 0.716 -6.482 -3.232) 7.279 18.372 ( 0.183 -4.390 -6.388) 7.753 18.892 ( -8.091 -4.407 -1.109) 9.280 19.156 ( -2.216 -6.892 -12.645) 14.570 20.644 ( -12.517 5.331 13.852) 19.416 20.913 ( 3.024 3.045 3.035) 5.256 21.317 ( -10.998 -1.456 1.617) 11.212 21.575 ( 0.230 -6.803 -1.759) 7.031 21.901 ( -13.552 -1.931 10.306) 17.135 22.440 ( -32.369 -15.203 -5.468) 36.177 25.187 ( 20.171 0.552 2.317) 20.311 25.517 ( 13.698 -9.178 -6.787) 17.830 25.801 ( 5.797 -1.900 1.662) 6.323 25.823 ( 7.033 -2.239 1.158) 7.472 28.797 ( 3.209 4.224 1.633) 5.550 29.124 ( 2.945 -5.898 -8.605) 10.841 29.666 ( -4.638 6.506 2.989) 8.530 29.794 ( -0.625 1.603 -1.014) 1.997 30.683 ( 1.324 5.166 -1.212) 5.469 30.767 ( 4.934 2.398 -3.329) 6.417 31.180 ( -1.641 -13.767 7.095) 15.574 31.370 ( -1.311 -16.196 2.647) 16.463 ======================= Grid point 281 (98/140) ======================= q-point: ( 0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.527 9.227 8.189) 12.348 2.557 ( -0.721 11.975 0.087) 11.997 2.762 ( -2.478 1.922 -4.113) 5.172 3.234 ( -2.839 -7.075 -5.843) 9.605 3.395 ( -5.479 7.283 -0.729) 9.143 3.466 ( -2.157 1.607 -2.272) 3.521 3.798 ( -15.799 -0.603 0.150) 15.811 4.133 ( -4.006 -4.951 -7.232) 9.636 4.474 ( 7.927 10.783 2.150) 13.555 4.599 ( 10.436 6.646 -0.442) 12.380 5.008 ( -0.389 10.813 8.080) 13.504 5.137 ( -0.795 7.793 4.566) 9.067 17.661 ( 3.052 4.173 -2.728) 5.845 17.830 ( 3.791 3.490 -4.072) 6.568 18.296 ( 1.288 -6.402 -3.997) 7.656 18.370 ( -0.494 -4.484 -6.817) 8.174 18.765 ( -2.399 -2.365 0.895) 3.485 19.099 ( -2.194 -5.448 -12.039) 13.395 20.275 ( -23.492 6.497 13.236) 27.736 20.877 ( -25.054 14.012 -6.536) 29.441 21.029 ( -2.922 -8.272 4.499) 9.859 21.469 ( -14.105 -7.419 -6.034) 17.041 21.623 ( -5.625 -13.319 9.227) 17.152 21.918 ( -14.733 -16.831 0.721) 22.381 25.587 ( 17.847 -0.227 2.091) 17.970 25.834 ( 15.639 -7.583 -3.826) 17.797 25.936 ( 6.675 -0.949 1.738) 6.963 25.997 ( 9.207 -2.941 0.488) 9.677 28.889 ( 5.685 5.010 1.908) 7.814 29.199 ( 3.975 -3.126 -7.903) 9.383 29.566 ( -4.763 3.641 3.371) 6.878 29.755 ( -3.150 -0.425 -2.554) 4.077 30.739 ( 4.009 4.797 0.888) 6.315 30.882 ( 6.241 -0.087 -2.857) 6.865 31.133 ( -2.934 -11.128 6.677) 13.305 31.327 ( -2.940 -13.121 1.904) 13.580 ======================= Grid point 282 (99/140) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 3.750 5.345 11.474) 13.202 2.523 ( -0.586 6.519 2.308) 6.940 2.808 ( 3.892 3.230 -0.530) 5.085 3.018 ( -11.389 -2.268 3.926) 12.259 3.311 ( -5.537 6.889 -0.506) 8.853 3.448 ( -11.594 3.323 -5.421) 13.224 3.594 ( 7.144 -1.157 -13.513) 15.329 3.999 ( -8.745 -5.641 -12.902) 16.576 4.657 ( 9.569 12.654 5.353) 16.743 4.815 ( 9.970 5.666 1.318) 11.543 4.961 ( -4.248 11.065 7.607) 14.084 5.095 ( -3.530 6.703 3.850) 8.498 17.739 ( 4.465 4.190 -1.016) 6.207 17.866 ( -0.275 3.288 -0.861) 3.410 18.314 ( 0.321 -7.795 -5.507) 9.549 18.352 ( -1.246 -5.316 -7.484) 9.265 18.869 ( 13.835 1.639 0.477) 13.940 19.120 ( 5.351 -3.711 -8.067) 10.367 19.766 ( -24.842 3.143 6.344) 25.831 20.091 ( -42.324 5.518 -4.713) 42.942 21.090 ( 4.089 -5.013 1.440) 6.628 21.264 ( -6.094 -6.323 -1.339) 8.883 21.585 ( 0.201 -15.146 4.251) 15.733 21.730 ( -6.371 -16.739 1.782) 17.999 25.881 ( 11.035 0.056 2.573) 11.331 26.035 ( 2.835 0.060 2.482) 3.769 26.095 ( 9.314 -6.742 -2.536) 11.775 26.155 ( 5.680 -4.115 -0.494) 7.031 29.018 ( 6.895 6.105 1.808) 9.386 29.241 ( -1.148 4.070 -4.120) 5.904 29.511 ( 0.456 -3.172 0.611) 3.262 29.674 ( -4.650 -3.031 -3.402) 6.510 30.836 ( 5.340 2.583 2.819) 6.567 30.999 ( 3.505 -2.140 -0.506) 4.138 31.072 ( -1.450 -7.604 4.545) 8.977 31.252 ( -4.487 -9.806 0.960) 10.827 ======================= Grid point 283 (100/140) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -1.924 5.594 8.654) 10.483 2.522 ( 1.924 5.594 8.654) 10.483 2.868 ( -4.360 -3.670 4.394) 7.196 2.868 ( 4.360 -3.670 4.394) 7.196 3.269 ( -3.948 10.292 -5.868) 12.488 3.269 ( 3.948 10.292 -5.868) 12.488 3.798 ( -10.758 -4.599 -15.046) 19.060 3.798 ( 10.758 -4.599 -15.046) 19.060 4.835 ( -7.705 11.992 6.653) 15.731 4.835 ( 7.705 11.992 6.653) 15.731 4.990 ( -6.919 5.858 2.821) 9.494 4.990 ( 6.919 5.858 2.821) 9.494 17.825 ( -3.573 4.180 0.065) 5.499 17.825 ( 3.573 4.180 0.065) 5.499 18.325 ( -1.115 -7.226 -6.637) 9.875 18.325 ( 1.115 -7.226 -6.637) 9.875 19.309 ( -15.870 2.587 1.764) 16.176 19.309 ( 15.870 2.587 1.764) 16.176 19.360 ( -10.932 -0.233 -5.599) 12.285 19.360 ( 10.932 -0.233 -5.599) 12.285 21.171 ( -3.971 -5.374 0.427) 6.696 21.171 ( 3.971 -5.374 0.427) 6.696 21.627 ( -3.852 -16.246 2.480) 16.880 21.627 ( 3.852 -16.246 2.480) 16.880 26.029 ( -3.706 0.263 2.686) 4.585 26.029 ( 3.706 0.263 2.686) 4.585 26.203 ( -1.322 -5.476 -1.435) 5.814 26.203 ( 1.322 -5.476 -1.435) 5.814 29.155 ( -6.268 6.949 0.506) 9.372 29.155 ( 6.268 6.949 0.506) 9.372 29.576 ( -4.781 -5.177 -3.022) 7.668 29.576 ( 4.781 -5.177 -3.022) 7.668 30.945 ( -5.181 -0.965 4.132) 6.697 30.945 ( 5.181 -0.965 4.132) 6.697 31.150 ( -5.484 -7.017 0.015) 8.906 31.150 ( 5.484 -7.017 0.015) 8.906 ======================= Grid point 288 (101/140) ======================= q-point: ( 0.00 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.000 12.191 -6.594) 13.860 2.830 ( 0.000 0.907 -7.764) 7.817 2.939 ( 0.000 1.979 -0.794) 2.132 3.071 ( 0.000 -5.153 -2.203) 5.605 3.511 ( 0.000 5.739 4.932) 7.567 3.644 ( 0.000 -7.389 -0.064) 7.389 4.066 ( 0.000 3.037 3.928) 4.966 4.164 ( 0.000 -5.401 1.798) 5.693 4.414 ( 0.000 7.107 -2.467) 7.523 4.486 ( 0.000 -0.875 -4.266) 4.355 5.171 ( 0.000 7.466 8.341) 11.194 5.238 ( 0.000 0.999 6.144) 6.224 17.713 ( 0.000 4.185 -6.373) 7.625 17.756 ( 0.000 1.253 -10.022) 10.100 18.196 ( 0.000 0.567 -3.489) 3.535 18.270 ( 0.000 -5.191 -6.636) 8.425 18.947 ( 0.000 0.190 -3.187) 3.193 19.016 ( 0.000 -6.406 -7.360) 9.757 20.857 ( 0.000 3.882 13.100) 13.663 20.907 ( 0.000 -0.352 8.629) 8.636 21.358 ( 0.000 0.322 2.678) 2.697 21.438 ( 0.000 -6.528 -0.579) 6.554 22.252 ( 0.000 13.090 5.028) 14.022 22.538 ( 0.000 -14.788 -1.970) 14.919 25.008 ( 0.000 5.647 -1.479) 5.837 25.161 ( 0.000 -9.181 -5.874) 10.899 25.713 ( 0.000 -0.162 2.321) 2.327 25.721 ( 0.000 -0.793 1.984) 2.136 28.848 ( 0.000 4.648 -1.604) 4.917 28.959 ( 0.000 -6.241 -4.986) 7.988 29.820 ( 0.000 1.254 0.130) 1.260 29.822 ( 0.000 1.711 0.227) 1.726 30.810 ( 0.000 9.014 -0.238) 9.017 30.811 ( 0.000 5.739 -0.546) 5.765 30.962 ( 0.000 -8.541 3.353) 9.175 31.060 ( 0.000 -14.078 1.237) 14.132 ======================= Grid point 289 (102/140) ======================= q-point: ( 0.12 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -1.816 10.807 -2.481) 11.236 2.820 ( -1.971 -2.370 -6.418) 7.120 2.847 ( -5.889 7.976 0.907) 9.956 3.048 ( -0.234 -8.329 -5.799) 10.152 3.542 ( 1.337 5.120 2.417) 5.818 3.623 ( -3.822 -2.619 -1.129) 4.768 4.001 ( -6.111 0.631 2.261) 6.546 4.078 ( -6.389 -5.914 1.768) 8.884 4.488 ( 6.532 6.125 -1.770) 9.128 4.538 ( 5.223 0.911 -3.312) 6.252 5.183 ( 0.772 6.802 8.139) 10.635 5.241 ( 0.158 1.155 6.257) 6.365 17.725 ( 1.479 5.320 -6.357) 8.420 17.795 ( 3.275 -0.178 -8.890) 9.476 18.198 ( 0.161 0.205 -2.596) 2.609 18.272 ( -0.029 -5.402 -6.023) 8.091 18.875 ( -5.306 2.967 -2.905) 6.737 18.995 ( -2.221 -7.947 -8.266) 11.680 20.783 ( -7.708 7.616 14.214) 17.873 20.908 ( -0.602 -3.650 9.069) 9.795 21.313 ( -4.759 2.160 1.337) 5.394 21.417 ( -2.188 -7.582 -1.100) 7.968 21.974 ( -24.353 7.519 2.355) 25.595 22.169 ( -30.912 -11.473 -2.909) 33.101 25.228 ( 18.180 3.809 -0.712) 18.588 25.344 ( 15.865 -7.448 -4.051) 17.988 25.784 ( 6.412 -0.000 2.129) 6.756 25.794 ( 6.693 -0.882 1.764) 6.978 28.886 ( 3.667 4.807 -1.330) 6.190 28.997 ( 3.725 -6.118 -4.731) 8.585 29.759 ( -4.715 3.244 0.906) 5.794 29.804 ( -2.831 -0.926 -0.504) 3.021 30.821 ( 1.449 7.718 0.099) 7.853 30.841 ( 2.428 5.332 -0.491) 5.879 30.966 ( 0.435 -7.224 3.310) 7.958 31.070 ( 0.836 -13.122 1.020) 13.188 ======================= Grid point 290 (103/140) ======================= q-point: ( 0.25 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -3.660 6.886 5.464) 9.522 2.673 ( -6.940 -1.543 1.869) 7.351 2.871 ( 2.975 9.568 -4.692) 11.064 3.068 ( -0.129 -9.158 -6.147) 11.030 3.491 ( -6.349 1.993 -2.433) 7.085 3.505 ( -5.393 1.534 -0.113) 5.608 3.823 ( -9.755 4.464 -2.753) 11.075 3.971 ( -5.241 -8.911 -5.291) 11.613 4.653 ( 9.315 5.674 1.036) 10.956 4.692 ( 9.507 1.700 0.052) 9.658 5.185 ( -0.937 5.944 7.545) 9.651 5.233 ( -1.271 1.301 6.117) 6.382 17.774 ( 3.337 6.380 -4.882) 8.699 17.868 ( 3.645 -1.268 -6.436) 7.505 18.195 ( -0.753 -1.232 -1.551) 2.120 18.260 ( -1.327 -5.916 -4.716) 7.681 18.809 ( 0.465 5.882 -3.225) 6.724 18.958 ( -0.139 -7.902 -8.927) 11.923 20.485 ( -23.413 13.681 13.649) 30.358 20.786 ( -19.735 -14.486 8.796) 26.013 21.140 ( -9.894 10.317 -4.412) 14.960 21.331 ( -7.003 -8.487 -4.657) 11.948 21.466 ( -16.222 2.055 3.413) 16.704 21.636 ( -16.512 -11.659 -1.080) 20.243 25.609 ( 17.679 2.605 0.433) 17.875 25.695 ( 16.897 -5.757 -1.686) 17.930 25.934 ( 7.461 0.573 1.757) 7.687 25.955 ( 8.272 -1.441 1.245) 8.488 28.991 ( 6.517 5.250 -0.666) 8.395 29.103 ( 6.507 -5.620 -4.088) 9.520 29.641 ( -6.785 3.833 1.354) 7.910 29.715 ( -5.663 -3.177 -0.972) 6.566 30.863 ( 2.473 6.556 0.877) 7.062 30.900 ( 3.257 1.893 -0.195) 3.772 30.978 ( 0.649 -3.879 2.990) 4.941 31.084 ( 0.237 -10.670 0.685) 10.694 ======================= Grid point 291 (104/140) ======================= q-point: ( 0.38 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 2.102 4.262 8.481) 9.721 2.604 ( 0.820 0.649 4.113) 4.244 2.866 ( -5.398 3.614 3.229) 7.255 2.955 ( -9.785 -4.232 2.205) 10.887 3.404 ( -1.294 4.170 -4.859) 6.532 3.488 ( 5.500 -3.033 -11.132) 12.781 3.645 ( -7.963 8.520 -8.699) 14.549 3.838 ( -7.966 -9.416 -11.036) 16.550 4.847 ( 9.465 5.844 3.750) 11.738 4.892 ( 9.685 1.217 2.632) 10.110 5.135 ( -4.091 5.666 6.661) 9.655 5.181 ( -4.083 1.202 5.391) 6.869 17.859 ( 5.014 6.992 -2.701) 9.018 17.938 ( 3.164 1.839 -3.252) 4.896 18.160 ( -2.473 -4.724 -2.302) 5.808 18.213 ( -3.320 -7.237 -3.880) 8.857 18.945 ( 13.651 4.791 -3.871) 14.976 19.039 ( 9.123 -4.337 -6.695) 12.119 19.899 ( -30.966 9.257 5.470) 32.780 20.081 ( -39.806 -6.557 -0.405) 40.345 21.091 ( 1.939 5.776 0.662) 6.129 21.221 ( -3.168 0.438 -1.073) 3.373 21.321 ( -2.772 -8.604 2.574) 9.399 21.434 ( -6.376 -12.360 0.936) 13.939 25.904 ( 11.128 2.359 1.174) 11.435 25.977 ( 10.514 -4.807 -0.493) 11.571 26.050 ( 3.346 1.362 1.555) 3.933 26.090 ( 4.346 -2.531 0.631) 5.069 29.139 ( 7.971 5.945 0.019) 9.943 29.247 ( 7.322 -3.716 -3.305) 8.851 29.495 ( -7.349 2.647 1.429) 7.941 29.585 ( -7.096 -5.166 -1.374) 8.884 30.915 ( 2.587 4.680 1.669) 5.602 30.964 ( 2.450 -1.233 0.735) 2.840 30.988 ( 0.586 -0.866 1.998) 2.255 31.074 ( -1.293 -7.653 0.520) 7.779 ======================= Grid point 292 (105/140) ======================= q-point: (-0.50 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -3.642 6.326 7.485) 10.455 2.645 ( 3.642 6.326 7.485) 10.455 2.770 ( -4.733 -5.767 6.062) 9.613 2.770 ( 4.733 -5.767 6.062) 9.613 3.476 ( -6.653 9.885 -9.870) 15.472 3.476 ( 6.653 9.885 -9.870) 15.472 3.662 ( -8.861 -8.274 -12.964) 17.749 3.662 ( 8.861 -8.274 -12.964) 17.749 5.019 ( -7.207 5.800 5.409) 10.716 5.019 ( 7.207 5.800 5.409) 10.716 5.066 ( -7.162 1.037 4.303) 8.420 5.066 ( 7.162 1.037 4.303) 8.420 17.954 ( -2.930 8.286 -1.472) 8.911 17.954 ( 2.930 8.286 -1.472) 8.911 18.144 ( -2.249 -9.876 -3.633) 10.761 18.144 ( 2.249 -9.876 -3.633) 10.761 19.348 ( -17.186 1.968 -1.336) 17.350 19.348 ( 17.186 1.968 -1.336) 17.350 19.375 ( -24.071 -0.078 -3.556) 24.332 19.375 ( 24.071 -0.078 -3.556) 24.332 21.154 ( -3.685 4.386 1.953) 6.052 21.154 ( 3.686 4.386 1.953) 6.052 21.334 ( -3.454 -12.460 0.771) 12.953 21.334 ( 3.454 -12.460 0.771) 12.953 26.051 ( -3.495 2.001 1.439) 4.277 26.051 ( 3.495 2.001 1.439) 4.277 26.110 ( -2.645 -3.747 0.120) 4.588 26.110 ( 2.645 -3.747 0.120) 4.588 29.295 ( -6.249 7.070 -0.195) 9.438 29.295 ( 6.249 7.070 -0.195) 9.438 29.443 ( -5.798 -7.320 -1.206) 9.415 29.443 ( 5.798 -7.320 -1.206) 9.415 30.960 ( -1.652 2.359 2.168) 3.605 30.960 ( 1.652 2.359 2.168) 3.605 31.033 ( -2.603 -4.699 0.429) 5.389 31.033 ( 2.603 -4.699 0.429) 5.389 ======================= Grid point 351 (106/140) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 0.000 21.739) 21.739 1.701 ( 0.000 0.000 27.298) 27.298 1.901 ( 0.000 0.000 -17.640) 17.640 2.201 ( 0.000 0.000 -19.230) 19.230 2.819 ( 0.000 0.000 31.231) 31.231 3.124 ( 0.000 0.000 6.822) 6.822 3.260 ( 0.000 0.000 -6.590) 6.590 3.476 ( 0.000 0.000 -30.915) 30.915 3.818 ( 0.000 0.000 21.340) 21.340 4.213 ( 0.000 0.000 -17.758) 17.758 4.816 ( 0.000 0.000 13.309) 13.309 5.043 ( 0.000 0.000 -9.417) 9.417 18.182 ( 0.000 0.000 15.011) 15.011 18.459 ( 0.000 0.000 1.950) 1.950 18.498 ( 0.000 0.000 -1.845) 1.845 18.509 ( 0.000 0.000 -17.360) 17.360 19.619 ( 0.000 0.000 10.794) 10.794 19.836 ( 0.000 0.000 -10.493) 10.493 19.991 ( 0.000 0.000 8.077) 8.077 20.154 ( 0.000 0.000 -8.049) 8.049 21.367 ( 0.000 0.000 2.848) 2.848 21.384 ( 0.000 0.000 1.109) 1.109 23.754 ( 0.000 0.000 5.266) 5.266 23.854 ( 0.000 0.000 -4.558) 4.558 25.320 ( 0.000 0.000 26.807) 26.807 25.927 ( 0.000 0.000 -32.939) 32.939 26.236 ( 0.000 0.000 3.851) 3.851 26.341 ( 0.000 0.000 -7.100) 7.100 28.006 ( 0.000 0.000 11.586) 11.586 28.232 ( 0.000 0.000 -10.737) 10.737 28.786 ( 0.000 0.000 7.980) 7.980 28.942 ( 0.000 0.000 -7.455) 7.455 30.667 ( 0.000 0.000 14.770) 14.770 30.927 ( 0.000 0.000 -11.472) 11.472 33.063 ( 0.000 0.000 14.983) 14.983 33.349 ( 0.000 0.000 -13.343) 13.343 ======================= Grid point 352 (107/140) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 8.713 0.000 20.200) 21.999 1.689 ( 0.428 0.000 24.889) 24.893 1.969 ( 6.530 0.000 -16.725) 17.955 2.163 ( -2.924 0.000 -21.152) 21.353 2.958 ( 12.850 0.000 33.275) 35.670 3.082 ( -4.114 0.000 7.034) 8.148 3.222 ( -3.703 0.000 -6.789) 7.734 3.593 ( 8.258 0.000 -24.668) 26.013 3.756 ( -4.190 0.000 14.489) 15.083 4.080 ( -11.830 0.000 -12.763) 17.402 4.822 ( -0.702 0.000 7.961) 7.992 4.993 ( -4.526 0.000 -8.024) 9.212 18.130 ( -4.225 0.000 15.859) 16.413 18.452 ( -5.052 0.000 -15.635) 16.431 18.454 ( -0.448 0.000 2.272) 2.316 18.496 ( -0.202 0.000 -1.804) 1.816 19.596 ( -2.144 0.000 10.019) 10.246 19.800 ( -3.399 0.000 -10.004) 10.566 19.853 ( -12.027 0.000 11.436) 16.596 20.066 ( -8.858 0.000 -10.001) 13.360 21.335 ( -3.055 0.000 1.548) 3.425 21.340 ( -2.878 0.000 0.828) 2.995 23.823 ( 5.567 0.000 5.296) 7.683 23.913 ( 5.434 0.000 -2.906) 6.163 25.546 ( 19.314 0.000 15.579) 24.814 25.978 ( 4.458 0.000 -22.271) 22.713 26.318 ( 7.365 0.000 -2.005) 7.633 26.385 ( 4.945 0.000 -8.044) 9.443 28.013 ( 0.701 0.000 10.860) 10.883 28.218 ( -1.319 0.000 -9.163) 9.258 28.802 ( 1.547 0.000 6.672) 6.849 28.943 ( 0.071 0.000 -7.018) 7.018 30.715 ( 4.697 0.000 14.732) 15.463 30.967 ( 3.855 0.000 -10.705) 11.378 32.981 ( -7.745 0.000 12.565) 14.761 33.195 ( -13.991 0.000 -8.106) 16.169 ======================= Grid point 353 (108/140) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 9.415 0.000 17.690) 20.039 1.834 ( 13.907 0.000 16.841) 21.841 2.141 ( 2.099 0.000 -17.917) 18.040 2.149 ( 10.770 0.000 -14.406) 17.987 2.960 ( -7.847 0.000 7.572) 10.905 3.112 ( -7.161 0.000 -7.365) 10.272 3.260 ( 13.072 0.000 29.704) 32.453 3.495 ( -11.613 0.000 13.954) 18.154 3.753 ( -12.318 0.000 -6.155) 13.770 3.963 ( 13.048 0.000 -24.603) 27.849 4.725 ( -9.354 0.000 6.710) 11.512 4.896 ( -4.891 0.000 -9.253) 10.466 18.058 ( -2.095 0.000 15.980) 16.117 18.333 ( -6.117 0.000 -9.929) 11.662 18.446 ( -0.250 0.000 2.829) 2.840 18.489 ( -0.462 0.000 -1.306) 1.386 19.544 ( -2.671 0.000 7.591) 8.047 19.582 ( -13.140 0.000 10.199) 16.634 19.708 ( -5.378 0.000 -8.445) 10.012 19.820 ( -14.367 0.000 -13.058) 19.414 21.263 ( -2.681 0.000 3.784) 4.638 21.305 ( -1.350 0.000 -0.407) 1.410 23.935 ( 5.188 0.000 5.834) 7.807 24.034 ( 5.418 0.000 -3.083) 6.234 25.933 ( 15.380 0.000 1.957) 15.504 26.092 ( 6.703 0.000 -8.911) 11.151 26.474 ( 8.763 0.000 -3.326) 9.373 26.568 ( 11.324 0.000 -15.099) 18.874 28.034 ( 1.284 0.000 8.851) 8.943 28.184 ( -1.980 0.000 -5.560) 5.902 28.842 ( 2.195 0.000 3.814) 4.401 28.943 ( -0.095 0.000 -5.805) 5.806 30.850 ( 8.362 0.000 14.252) 16.524 31.071 ( 5.991 0.000 -8.077) 10.056 32.777 ( -11.744 0.000 7.669) 14.026 32.859 ( -17.370 0.000 0.325) 17.373 ======================= Grid point 354 (109/140) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 15.818 0.000 10.218) 18.831 2.132 ( 15.047 0.000 13.211) 20.023 2.259 ( 8.312 0.000 -10.567) 13.444 2.374 ( 10.304 0.000 -10.265) 14.545 2.779 ( -9.164 0.000 7.117) 11.603 2.938 ( -9.812 0.000 -8.126) 12.740 3.139 ( -14.703 0.000 12.152) 19.075 3.285 ( -16.629 0.000 -0.645) 16.642 3.783 ( 16.392 0.000 22.471) 27.815 4.272 ( 15.116 0.000 -24.189) 28.524 4.476 ( -14.553 0.000 13.190) 19.641 4.768 ( -8.276 0.000 -14.870) 17.018 18.057 ( 1.883 0.000 13.464) 13.595 18.218 ( -5.268 0.000 -0.664) 5.309 18.447 ( 0.406 0.000 2.853) 2.882 18.477 ( -0.752 0.000 0.066) 0.755 19.380 ( -5.937 0.000 1.263) 6.069 19.505 ( -0.824 0.000 3.518) 3.613 19.539 ( -12.295 0.000 -13.323) 18.129 19.599 ( -5.027 0.000 -5.587) 7.516 21.236 ( -0.139 0.000 5.221) 5.222 21.278 ( -1.442 0.000 1.234) 1.898 24.029 ( 4.035 0.000 3.951) 5.647 24.104 ( 1.306 0.000 -2.751) 3.045 26.134 ( 6.279 0.000 1.918) 6.565 26.209 ( 3.440 0.000 -4.042) 5.307 26.674 ( 9.499 0.000 -8.937) 13.042 26.759 ( 6.394 0.000 -17.030) 18.191 28.064 ( 1.694 0.000 5.927) 6.164 28.142 ( -2.091 0.000 -1.479) 2.561 28.885 ( 1.968 0.000 0.824) 2.134 28.937 ( -0.585 0.000 -4.019) 4.061 31.033 ( 9.054 0.000 12.083) 15.098 31.178 ( 3.573 0.000 -2.449) 4.332 32.539 ( -10.356 0.000 5.545) 11.747 32.568 ( -10.578 0.000 2.082) 10.781 ======================= Grid point 355 (110/140) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -6.917 0.000 1.847) 7.160 2.322 ( 6.917 0.000 1.847) 7.160 2.404 ( -9.928 0.000 7.273) 12.307 2.404 ( 9.928 0.000 7.273) 12.307 2.741 ( -7.874 0.000 -6.414) 10.156 2.741 ( 7.874 0.000 -6.414) 10.156 3.003 ( -5.925 0.000 1.923) 6.230 3.003 ( 5.925 0.000 1.923) 6.230 4.142 ( -17.625 0.000 19.909) 26.589 4.142 ( 17.625 0.000 19.909) 26.589 4.558 ( -12.386 0.000 -20.042) 23.560 4.558 ( 12.386 0.000 -20.042) 23.560 18.122 ( -4.194 0.000 8.126) 9.144 18.122 ( 4.194 0.000 8.126) 9.144 18.460 ( -0.846 0.000 1.817) 2.005 18.460 ( 0.846 0.000 1.817) 2.005 19.363 ( -4.356 0.000 -8.410) 9.471 19.363 ( 4.356 0.000 -8.410) 9.471 19.521 ( -2.458 0.000 -1.355) 2.807 19.521 ( 2.458 0.000 -1.355) 2.807 21.250 ( -1.223 0.000 3.913) 4.099 21.250 ( 1.223 0.000 3.913) 4.099 24.093 ( -2.112 0.000 0.194) 2.121 24.093 ( 2.112 0.000 0.194) 2.121 26.219 ( -2.148 0.000 0.501) 2.205 26.219 ( 2.148 0.000 0.501) 2.205 26.801 ( -2.362 0.000 -14.713) 14.902 26.801 ( 2.362 0.000 -14.713) 14.902 28.101 ( -1.956 0.000 2.419) 3.111 28.101 ( 1.956 0.000 2.419) 3.111 28.918 ( -1.298 0.000 -1.802) 2.221 28.918 ( 1.298 0.000 -1.802) 2.221 31.176 ( -4.121 0.000 6.073) 7.340 31.176 ( 4.121 0.000 6.073) 7.340 32.440 ( -1.229 0.000 2.955) 3.200 32.440 ( 1.229 0.000 2.955) 3.200 ======================= Grid point 360 (111/140) ======================= q-point: ( 0.00 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 10.417 20.663) 23.140 1.748 ( 0.000 5.041 22.244) 22.808 2.055 ( 0.000 13.454 -13.944) 19.376 2.265 ( 0.000 6.537 -19.400) 20.472 2.799 ( 0.000 1.700 25.050) 25.107 3.239 ( 0.000 0.213 -15.710) 15.711 3.339 ( 0.000 16.916 11.591) 20.506 3.648 ( 0.000 14.478 -19.718) 24.463 3.809 ( 0.000 -0.316 20.084) 20.086 4.186 ( 0.000 -2.551 -17.073) 17.263 4.786 ( 0.000 -2.819 13.100) 13.400 5.011 ( 0.000 -3.183 -9.285) 9.816 18.083 ( 0.000 -8.490 10.978) 13.878 18.210 ( 0.000 -15.609 0.404) 15.614 18.516 ( 0.000 0.814 -0.538) 0.975 18.598 ( 0.000 1.390 -10.437) 10.529 19.531 ( 0.000 -6.823 8.497) 10.897 19.707 ( 0.000 -10.294 -8.793) 13.538 20.105 ( 0.000 9.349 7.524) 12.000 20.257 ( 0.000 7.965 -7.472) 10.921 21.419 ( 0.000 3.289 2.792) 4.314 21.454 ( 0.000 7.630 -0.879) 7.681 23.599 ( 0.000 -14.480 6.954) 16.063 23.740 ( 0.000 -10.704 -7.010) 12.796 25.294 ( 0.000 -2.364 24.553) 24.666 25.841 ( 0.000 -7.635 -29.428) 30.402 26.173 ( 0.000 -5.453 3.760) 6.624 26.272 ( 0.000 -6.158 -6.273) 8.790 28.162 ( 0.000 13.581 12.167) 18.234 28.416 ( 0.000 15.610 -13.249) 20.475 28.862 ( 0.000 7.246 8.163) 10.915 29.027 ( 0.000 7.834 -8.238) 11.368 30.645 ( 0.000 -2.025 13.514) 13.665 30.885 ( 0.000 -3.896 -10.765) 11.449 32.940 ( 0.000 -11.798 13.710) 18.087 33.183 ( 0.000 -15.406 -10.061) 18.400 ======================= Grid point 361 (112/140) ======================= q-point: ( 0.12 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 6.978 8.398 19.863) 22.666 1.740 ( 1.534 6.699 21.071) 22.164 2.111 ( 5.811 12.658 -14.935) 20.422 2.215 ( -3.915 5.467 -20.308) 21.392 2.914 ( 9.511 1.469 24.049) 25.903 3.265 ( 0.381 4.753 -10.217) 11.275 3.324 ( -0.677 16.448 12.785) 20.844 3.671 ( -2.028 5.535 -4.535) 7.437 3.774 ( 1.195 4.273 0.249) 4.444 4.056 ( -11.311 -2.250 -12.411) 16.943 4.796 ( -0.373 -2.465 7.896) 8.280 4.964 ( -4.200 -2.810 -7.847) 9.334 18.052 ( -2.374 -7.028 12.640) 14.656 18.210 ( -0.226 -14.012 -0.620) 14.028 18.491 ( -2.150 0.056 -0.381) 2.184 18.570 ( -2.510 1.902 -9.254) 9.775 19.495 ( -3.280 -7.380 8.424) 11.670 19.670 ( -3.583 -10.371 -8.635) 13.962 19.986 ( -10.779 10.146 8.910) 17.278 20.169 ( -8.997 7.933 -9.313) 15.186 21.367 ( -4.233 2.822 2.784) 5.799 21.402 ( -3.729 5.706 -1.012) 6.892 23.655 ( 4.580 -15.738 6.139) 17.503 23.767 ( 2.829 -13.529 -4.193) 14.444 25.509 ( 18.274 -3.075 15.490) 24.153 25.916 ( 6.459 -5.456 -21.351) 22.964 26.247 ( 7.040 -6.217 -0.835) 9.429 26.315 ( 4.566 -6.195 -6.594) 10.134 28.170 ( 0.745 13.599 11.364) 17.738 28.400 ( -1.531 15.396 -11.324) 19.173 28.881 ( 1.829 7.483 6.498) 10.078 29.028 ( 0.169 7.901 -7.799) 11.103 30.695 ( 4.855 -1.884 13.551) 14.517 30.929 ( 4.214 -3.557 -10.133) 11.536 32.863 ( -7.280 -11.320 11.531) 17.723 33.046 ( -12.600 -13.959 -5.925) 19.716 ======================= Grid point 362 (113/140) ======================= q-point: ( 0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 8.264 3.482 16.170) 18.490 1.946 ( 13.229 9.112 15.129) 22.066 2.173 ( 1.161 4.122 -15.503) 16.084 2.280 ( 10.368 11.822 -13.938) 21.013 3.024 ( -1.937 5.849 11.716) 13.237 3.214 ( -5.417 9.390 -6.875) 12.837 3.369 ( 2.301 9.743 19.760) 22.152 3.493 ( -9.601 0.149 14.200) 17.142 3.744 ( -11.211 -0.393 -3.608) 11.784 4.002 ( 12.392 3.995 -23.152) 26.562 4.710 ( -8.617 -1.357 6.562) 10.916 4.874 ( -4.499 -2.041 -8.813) 10.103 18.017 ( -0.529 -4.002 14.032) 14.602 18.196 ( -1.210 -10.155 -1.047) 10.280 18.446 ( -1.995 -1.477 0.144) 2.487 18.511 ( -3.119 1.264 -5.958) 6.843 19.416 ( -4.069 -7.301 6.747) 10.742 19.572 ( -5.675 -10.052 -7.913) 13.995 19.730 ( -12.876 8.854 7.148) 17.184 19.916 ( -14.802 6.606 -11.251) 19.731 21.289 ( -2.745 2.271 4.289) 5.576 21.343 ( -2.094 3.373 -1.249) 4.162 23.746 ( 4.111 -17.736 5.626) 19.056 23.841 ( 3.647 -18.011 -2.869) 18.599 25.875 ( 15.048 -4.370 5.101) 16.479 26.061 ( 7.213 -2.522 -8.965) 11.780 26.412 ( 8.958 -5.693 -3.941) 11.322 26.480 ( 10.790 -7.798 -12.038) 17.948 28.191 ( 1.338 13.625 9.077) 16.427 28.359 ( -2.334 14.881 -7.155) 16.676 28.928 ( 2.591 8.026 3.116) 8.991 29.032 ( 0.112 8.134 -6.573) 10.459 30.834 ( 8.665 -1.471 13.269) 15.916 31.044 ( 6.635 -2.617 -7.873) 10.623 32.669 ( -11.195 -10.311 6.941) 16.728 32.737 ( -16.376 -11.574 1.090) 20.083 ======================= Grid point 363 (114/140) ======================= q-point: ( 0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 14.660 1.473 9.202) 17.371 2.221 ( 12.555 3.726 2.690) 13.370 2.281 ( 9.253 6.913 0.689) 11.571 2.495 ( 9.456 10.824 -10.045) 17.535 2.898 ( -7.889 10.223 7.921) 15.149 3.051 ( -10.568 8.971 -4.439) 14.556 3.148 ( -13.431 2.403 7.683) 15.659 3.280 ( -16.473 -0.518 -2.142) 16.620 3.828 ( 15.702 4.600 21.629) 27.121 4.287 ( 14.071 1.620 -22.595) 26.667 4.478 ( -13.539 0.419 12.556) 18.470 4.755 ( -7.766 -1.123 -14.080) 16.119 18.037 ( 2.366 -2.095 12.542) 12.934 18.160 ( -2.416 -5.329 2.305) 6.289 18.418 ( -0.716 -3.012 0.529) 3.141 18.453 ( -2.423 -1.540 -2.143) 3.583 19.355 ( -1.316 -3.123 1.006) 3.536 19.461 ( -4.875 -6.993 -7.281) 11.211 19.522 ( -6.980 2.067 2.162) 7.594 19.630 ( -12.287 2.741 -9.238) 15.615 21.263 ( -0.025 2.307 4.871) 5.390 21.308 ( -1.573 2.610 0.381) 3.071 23.821 ( 3.324 -19.487 3.892) 20.148 23.888 ( 0.801 -20.201 -2.100) 20.326 26.088 ( 6.980 -3.360 3.491) 8.497 26.172 ( 3.091 -2.612 -2.881) 4.967 26.604 ( 8.770 -6.313 -8.191) 13.560 26.668 ( 6.545 -8.073 -14.263) 17.648 28.223 ( 1.786 13.663 5.681) 14.904 28.310 ( -2.455 14.288 -2.641) 14.736 28.978 ( 2.231 8.535 -0.083) 8.822 29.030 ( -0.372 8.485 -4.798) 9.755 31.024 ( 9.422 -0.834 11.367) 14.788 31.165 ( 4.284 -1.277 -2.728) 5.237 32.436 ( -10.544 -9.838 5.126) 15.305 32.459 ( -10.122 -10.388 2.231) 14.674 ======================= Grid point 364 (115/140) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -6.407 -0.038 1.210) 6.521 2.309 ( 6.407 -0.038 1.210) 6.521 2.510 ( -9.684 9.307 6.900) 15.100 2.510 ( 9.684 9.307 6.900) 15.100 2.862 ( -5.891 9.677 -3.188) 11.769 2.862 ( 5.891 9.677 -3.188) 11.769 3.019 ( -4.553 2.449 -0.533) 5.197 3.019 ( 4.553 2.449 -0.533) 5.197 4.165 ( -16.499 2.430 18.712) 25.065 4.165 ( 16.499 2.430 18.712) 25.065 4.557 ( -11.701 0.066 -18.866) 22.200 4.557 ( 11.701 0.066 -18.866) 22.200 18.100 ( -3.402 -2.248 8.258) 9.210 18.100 ( 3.402 -2.248 8.258) 9.210 18.419 ( -0.846 -3.541 -0.043) 3.641 18.419 ( 0.846 -3.541 -0.043) 3.641 19.379 ( -3.354 1.133 -7.218) 8.039 19.379 ( 3.354 1.133 -7.218) 8.039 19.470 ( -2.504 -4.469 -1.562) 5.355 19.470 ( 2.504 -4.469 -1.562) 5.355 21.278 ( -1.291 2.462 3.114) 4.174 21.278 ( 1.291 2.462 3.114) 4.174 23.875 ( -1.866 -20.431 0.621) 20.525 23.875 ( 1.866 -20.431 0.621) 20.525 26.180 ( -2.184 -2.770 1.438) 3.809 26.180 ( 2.184 -2.770 1.438) 3.809 26.717 ( -1.805 -7.441 -12.476) 14.638 26.717 ( 1.805 -7.441 -12.476) 14.638 28.263 ( -2.183 13.848 1.674) 14.118 28.263 ( 2.183 13.848 1.674) 14.118 29.014 ( -1.278 8.701 -2.662) 9.188 29.014 ( 1.278 8.701 -2.662) 9.188 31.172 ( -4.060 -0.425 5.561) 6.898 31.172 ( 4.060 -0.425 5.561) 6.898 32.334 ( -1.148 -10.113 2.789) 10.553 32.334 ( 1.148 -10.113 2.789) 10.553 ======================= Grid point 369 (116/140) ======================= q-point: ( 0.00 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 9.490 19.062) 21.294 1.904 ( 0.000 9.941 15.903) 18.755 2.366 ( 0.000 15.391 -12.821) 20.031 2.449 ( 0.000 10.329 -18.250) 20.970 2.965 ( 0.000 15.083 17.995) 23.480 3.312 ( 0.000 7.458 -16.606) 18.204 3.625 ( 0.000 5.439 19.203) 19.959 3.904 ( 0.000 14.420 11.642) 18.533 3.980 ( 0.000 13.628 -15.240) 20.445 4.138 ( 0.000 1.715 -11.928) 12.050 4.707 ( 0.000 -4.848 12.297) 13.218 4.918 ( 0.000 -5.834 -8.801) 10.559 17.887 ( 0.000 -9.979 5.558) 11.422 17.900 ( 0.000 -13.979 5.076) 14.872 18.506 ( 0.000 -1.997 -1.119) 2.289 18.567 ( 0.000 -3.845 -8.003) 8.879 19.389 ( 0.000 -6.822 3.721) 7.771 19.480 ( 0.000 -11.264 -5.130) 12.377 20.321 ( 0.000 11.365 5.246) 12.517 20.430 ( 0.000 8.695 -5.210) 10.136 21.505 ( 0.000 4.740 6.054) 7.689 21.623 ( 0.000 7.599 -5.973) 9.666 23.221 ( 0.000 -21.236 10.947) 23.891 23.453 ( 0.000 -16.526 -12.124) 20.496 25.238 ( 0.000 -2.968 19.910) 20.130 25.663 ( 0.000 -8.968 -22.136) 23.883 26.044 ( 0.000 -6.755 3.042) 7.409 26.120 ( 0.000 -8.238 -4.557) 9.414 28.463 ( 0.000 14.080 12.387) 18.753 28.740 ( 0.000 13.788 -15.518) 20.759 29.066 ( 0.000 12.468 8.189) 14.917 29.236 ( 0.000 12.280 -8.888) 15.159 30.595 ( 0.000 -2.616 10.121) 10.453 30.782 ( 0.000 -5.834 -8.818) 10.573 32.612 ( 0.000 -19.750 11.064) 22.637 32.778 ( 0.000 -23.186 -4.703) 23.658 ======================= Grid point 370 (117/140) ======================= q-point: ( 0.12 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.957 8.699 17.235) 19.329 1.946 ( 6.021 10.101 15.060) 19.107 2.366 ( -3.227 10.221 -14.451) 17.992 2.428 ( 3.336 15.178 -14.879) 21.514 3.068 ( 8.295 13.569 16.772) 23.114 3.389 ( 5.457 8.039 -15.198) 18.038 3.599 ( -2.266 4.460 19.878) 20.498 3.800 ( -9.274 12.918 8.133) 17.861 4.007 ( -10.372 -0.284 -8.267) 13.267 4.014 ( 2.240 15.618 -13.226) 20.588 4.731 ( 0.905 -3.590 7.460) 8.328 4.885 ( -2.958 -4.738 -7.161) 9.081 17.877 ( 0.149 -9.632 7.946) 12.488 17.935 ( 2.340 -12.156 3.069) 12.754 18.472 ( -2.896 -2.050 -0.248) 3.557 18.557 ( -1.282 -2.764 -8.527) 9.055 19.343 ( -3.946 -7.244 3.742) 9.058 19.436 ( -4.067 -11.858 -5.191) 13.568 20.211 ( -10.547 11.625 5.713) 16.704 20.345 ( -9.036 9.154 -7.357) 14.818 21.436 ( -5.624 3.484 5.482) 8.592 21.534 ( -6.845 6.253 -4.619) 10.358 23.241 ( 1.643 -23.566 9.078) 25.307 23.414 ( -2.739 -20.080 -7.462) 21.596 25.444 ( 17.348 -3.076 14.138) 22.589 25.786 ( 10.697 -6.844 -18.399) 22.355 26.102 ( 5.696 -7.327 1.299) 9.371 26.166 ( 4.493 -7.940 -4.558) 10.198 28.471 ( 0.818 14.204 11.570) 18.338 28.722 ( -1.675 14.095 -13.103) 19.317 29.086 ( 1.908 12.088 6.066) 13.659 29.237 ( 0.134 12.082 -8.506) 14.776 30.647 ( 5.133 -2.521 10.366) 11.838 30.834 ( 5.008 -5.412 -8.516) 11.265 32.547 ( -6.182 -19.080 9.409) 22.154 32.674 ( -9.736 -21.513 -2.381) 23.734 ======================= Grid point 371 (118/140) ======================= q-point: ( 0.25 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 6.291 7.826 12.618) 16.125 2.109 ( 8.391 6.483 3.963) 11.320 2.339 ( 3.537 11.184 -0.722) 11.752 2.571 ( 9.460 15.251 -14.271) 22.929 3.178 ( -0.308 8.457 13.167) 15.652 3.435 ( -2.847 9.758 -10.504) 14.617 3.515 ( -9.380 5.017 9.027) 13.952 3.563 ( -12.603 4.984 6.686) 15.113 3.816 ( -1.641 10.512 8.576) 13.665 4.132 ( 8.942 8.726 -18.229) 22.100 4.682 ( -6.152 -0.813 6.014) 8.641 4.823 ( -3.089 -2.560 -7.296) 8.326 17.901 ( 2.335 -7.051 9.499) 12.058 17.985 ( 2.591 -9.782 2.482) 10.419 18.405 ( -3.512 -2.366 0.723) 4.296 18.510 ( -3.426 -1.415 -8.415) 9.195 19.264 ( -2.938 -7.445 2.112) 8.277 19.340 ( -4.705 -12.147 -4.695) 13.847 19.923 ( -16.821 9.952 4.836) 20.134 20.065 ( -17.664 7.986 -9.249) 21.479 21.336 ( -3.299 1.792 5.172) 6.391 21.418 ( -4.115 3.299 -3.292) 6.217 23.274 ( 1.559 -27.112 6.465) 27.915 23.375 ( -1.056 -26.068 -2.676) 26.226 25.799 ( 15.523 -2.880 8.302) 17.838 26.008 ( 9.369 -2.556 -8.918) 13.185 26.264 ( 9.582 -8.522 -4.228) 13.503 26.302 ( 8.837 -8.542 -6.346) 13.832 28.494 ( 1.406 14.478 9.179) 17.200 28.677 ( -2.611 14.569 -8.257) 16.948 29.136 ( 2.800 11.517 2.129) 12.043 29.241 ( 0.192 11.696 -7.382) 13.832 30.795 ( 9.217 -2.234 10.620) 14.238 30.971 ( 8.061 -4.286 -7.159) 11.602 32.379 ( -9.923 -17.743 5.593) 21.084 32.423 ( -14.038 -18.312 2.105) 23.169 ======================= Grid point 372 (119/140) ======================= q-point: ( 0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 12.394 5.381 7.029) 15.231 2.267 ( 8.032 3.117 -5.822) 10.398 2.518 ( 11.836 12.807 12.084) 21.216 2.756 ( 6.320 13.127 -8.954) 17.100 3.061 ( -8.084 3.285 10.271) 13.478 3.212 ( -13.397 10.932 6.917) 18.624 3.259 ( -14.704 -1.091 -4.559) 15.433 3.358 ( -8.240 14.134 -8.899) 18.624 3.977 ( 13.098 10.145 18.220) 24.627 4.346 ( 10.962 4.461 -17.736) 21.322 4.508 ( -10.274 3.093 10.356) 14.912 4.734 ( -6.144 -0.449 -11.424) 12.980 17.965 ( 3.688 -5.079 9.428) 11.326 18.031 ( 1.585 -6.567 4.365) 8.043 18.343 ( -2.099 -3.627 -0.417) 4.211 18.424 ( -4.766 -1.647 -6.409) 8.155 19.260 ( 3.084 -5.670 -1.867) 6.719 19.282 ( -0.145 -9.598 -3.028) 10.065 19.589 ( -14.941 4.213 2.455) 15.716 19.697 ( -17.288 3.682 -8.647) 19.678 21.308 ( 0.093 1.463 3.854) 4.123 21.360 ( -2.040 1.861 -1.541) 3.162 23.305 ( 1.526 -29.599 4.446) 29.970 23.359 ( -0.874 -29.888 -0.380) 29.903 26.037 ( 8.245 -1.459 6.077) 10.346 26.134 ( 3.215 -1.028 -1.096) 3.548 26.448 ( 7.689 -8.386 -7.561) 13.661 26.476 ( 6.788 -9.855 -9.633) 15.362 28.527 ( 1.861 14.721 5.542) 15.840 28.622 ( -2.748 14.814 -3.362) 15.437 29.190 ( 2.417 11.277 -1.193) 11.595 29.242 ( -0.217 11.419 -5.693) 12.761 30.999 ( 10.213 -1.662 9.466) 14.024 31.126 ( 6.067 -2.521 -3.281) 7.344 32.158 ( -10.668 -17.036 4.373) 20.571 32.176 ( -9.418 -16.503 2.193) 19.127 ======================= Grid point 373 (120/140) ======================= q-point: (-0.50 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -5.087 3.365 0.661) 6.135 2.343 ( 5.087 3.365 0.661) 6.135 2.720 ( -6.929 9.525 6.435) 13.421 2.720 ( 6.929 9.525 6.435) 13.421 3.000 ( -4.497 4.498 6.287) 8.944 3.000 ( 4.497 4.498 6.287) 8.944 3.183 ( -7.308 12.307 -9.834) 17.366 3.183 ( 7.308 12.307 -9.834) 17.366 4.253 ( -13.315 6.592 15.072) 21.164 4.253 ( 13.315 6.592 15.072) 21.164 4.573 ( -9.618 1.923 -15.057) 17.970 4.573 ( 9.618 1.923 -15.057) 17.970 18.030 ( -2.013 -4.551 7.812) 9.262 18.030 ( 2.013 -4.551 7.812) 9.262 18.343 ( -2.394 -3.444 -3.697) 5.591 18.343 ( 2.394 -3.444 -3.697) 5.591 19.351 ( -6.373 -4.879 -0.279) 8.031 19.351 ( 6.373 -4.879 -0.279) 8.031 19.409 ( -9.752 -0.105 -6.174) 11.543 19.409 ( 9.752 -0.105 -6.174) 11.543 21.326 ( -1.413 1.575 1.240) 2.452 21.326 ( 1.413 1.575 1.240) 2.452 23.335 ( -1.421 -30.784 1.999) 30.881 23.335 ( 1.421 -30.784 1.999) 30.881 26.142 ( -2.361 -0.772 3.287) 4.120 26.142 ( 2.361 -0.772 3.287) 4.120 26.539 ( -0.813 -9.297 -9.452) 13.283 26.539 ( 0.813 -9.297 -9.452) 13.283 28.570 ( -2.364 14.844 1.238) 15.082 28.570 ( 2.364 14.844 1.238) 15.082 29.228 ( -1.261 11.290 -3.670) 11.938 29.228 ( 1.261 11.290 -3.670) 11.938 31.157 ( -3.882 -1.134 4.310) 5.910 31.157 ( 3.882 -1.134 4.310) 5.910 32.053 ( -1.188 -16.855 2.318) 17.055 32.053 ( 1.188 -16.855 2.318) 17.055 ======================= Grid point 378 (121/140) ======================= q-point: ( 0.00 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 9.113 16.168) 18.560 2.133 ( 0.000 12.251 8.644) 14.993 2.624 ( 0.000 9.658 -12.915) 16.127 2.650 ( 0.000 9.462 -13.292) 16.315 3.359 ( 0.000 21.000 7.616) 22.339 3.538 ( 0.000 13.615 -10.485) 17.184 3.638 ( 0.000 -0.129 19.687) 19.687 3.988 ( 0.000 -3.656 -14.750) 15.196 4.278 ( 0.000 16.855 10.011) 19.604 4.441 ( 0.000 17.898 -6.068) 18.899 4.614 ( 0.000 -2.169 10.079) 10.310 4.788 ( 0.000 -5.821 -7.393) 9.410 17.669 ( 0.000 -8.445 4.776) 9.702 17.704 ( 0.000 -7.524 1.400) 7.653 18.441 ( 0.000 -4.141 -2.697) 4.942 18.463 ( 0.000 -6.084 -5.279) 8.055 19.257 ( 0.000 -6.226 -1.227) 6.346 19.268 ( 0.000 -9.470 -1.879) 9.655 20.552 ( 0.000 11.172 2.660) 11.484 20.606 ( 0.000 8.693 -2.404) 9.019 21.591 ( 0.000 3.230 7.129) 7.826 21.715 ( 0.000 0.847 -5.464) 5.530 22.795 ( 0.000 -19.572 15.179) 24.768 23.113 ( 0.000 -16.015 -16.349) 22.886 25.174 ( 0.000 -3.332 15.446) 15.801 25.494 ( 0.000 -7.714 -15.971) 17.736 25.913 ( 0.000 -5.867 1.690) 6.105 25.955 ( 0.000 -7.711 -2.500) 8.106 28.687 ( 0.000 7.774 10.537) 13.095 28.930 ( 0.000 5.100 -13.826) 14.737 29.343 ( 0.000 14.033 7.377) 15.854 29.492 ( 0.000 11.975 -7.649) 14.209 30.555 ( 0.000 -0.952 5.493) 5.575 30.670 ( 0.000 -4.733 -6.098) 7.720 32.173 ( 0.000 -22.701 8.762) 24.333 32.288 ( 0.000 -24.407 -1.968) 24.486 ======================= Grid point 379 (122/140) ======================= q-point: ( 0.12 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 2.423 9.987 13.322) 16.825 2.150 ( 2.709 10.661 8.971) 14.194 2.563 ( -3.993 8.891 -7.573) 12.343 2.697 ( 4.610 10.550 -15.661) 19.438 3.394 ( 0.747 14.319 7.459) 16.162 3.583 ( 2.044 9.466 -11.036) 14.683 3.644 ( 2.174 5.535 17.741) 18.711 3.905 ( -7.856 0.574 -6.181) 10.012 4.206 ( -6.325 14.126 5.417) 16.398 4.329 ( -6.085 11.596 -5.821) 14.331 4.695 ( 4.094 2.496 5.126) 7.019 4.799 ( 0.682 -2.029 -4.897) 5.344 17.691 ( 2.189 -7.689 5.139) 9.504 17.738 ( 3.114 -7.378 0.995) 8.070 18.411 ( -2.253 -3.801 -0.962) 4.522 18.474 ( 0.234 -5.107 -6.735) 8.456 19.200 ( -4.976 -8.263 -0.885) 9.687 19.216 ( -4.577 -8.234 -2.132) 9.659 20.446 ( -10.585 11.280 3.853) 15.941 20.537 ( -8.008 9.858 -4.850) 13.595 21.487 ( -8.447 1.074 7.239) 11.176 21.622 ( -8.313 1.898 -6.377) 10.648 22.760 ( -2.736 -22.624 12.654) 26.066 22.995 ( -9.009 -20.457 -10.223) 24.579 25.384 ( 17.560 -2.939 11.512) 21.202 25.648 ( 13.642 -6.694 -14.022) 20.677 25.968 ( 5.079 -5.663 1.547) 7.763 26.010 ( 5.264 -7.090 -2.626) 9.213 28.701 ( 1.353 8.198 9.958) 12.969 28.927 ( -0.308 6.122 -12.548) 13.965 29.346 ( 0.418 12.902 6.323) 14.374 29.486 ( -0.588 11.470 -7.508) 13.722 30.606 ( 5.050 -1.194 6.119) 8.023 30.729 ( 5.651 -4.476 -6.214) 9.517 32.122 ( -4.958 -22.033 7.755) 23.878 32.216 ( -6.836 -22.911 -0.922) 23.926 ======================= Grid point 380 (123/140) ======================= q-point: ( 0.25 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 4.537 10.649 8.368) 14.283 2.242 ( 5.037 7.111 1.102) 8.784 2.551 ( 4.578 8.786 7.014) 12.139 2.840 ( 9.001 10.341 -16.197) 21.220 3.307 ( -8.702 3.835 8.844) 12.987 3.490 ( -11.960 -1.992 -7.141) 14.072 3.688 ( -6.808 11.320 6.134) 14.564 3.745 ( -3.153 12.207 0.332) 12.612 4.092 ( -0.692 13.273 8.649) 15.857 4.316 ( 4.841 7.668 -11.852) 14.924 4.716 ( -2.123 5.321 4.777) 7.459 4.807 ( -0.228 2.571 -4.070) 4.820 17.756 ( 4.063 -6.603 5.829) 9.700 17.820 ( 4.779 -6.294 0.490) 7.918 18.354 ( -3.393 -2.583 0.788) 4.336 18.456 ( -2.304 -3.777 -8.051) 9.186 19.100 ( -3.701 -10.166 -0.302) 10.823 19.128 ( -2.728 -6.713 -2.974) 7.832 20.127 ( -20.236 9.982 4.008) 22.917 20.242 ( -20.972 9.691 -6.943) 24.124 21.341 ( -4.578 -1.656 5.820) 7.587 21.455 ( -6.635 0.052 -5.766) 8.791 22.710 ( -1.897 -27.242 8.722) 28.667 22.836 ( -6.128 -26.408 -3.217) 27.300 25.751 ( 16.679 -2.213 8.290) 18.757 25.949 ( 13.523 -3.679 -9.548) 16.958 26.100 ( 7.898 -6.633 -0.011) 10.313 26.151 ( 8.119 -6.295 -3.848) 10.971 28.738 ( 2.161 9.268 8.130) 12.517 28.913 ( -1.206 8.453 -8.847) 12.295 29.364 ( 1.418 10.492 3.342) 11.102 29.472 ( -0.718 10.272 -6.867) 12.377 30.752 ( 9.157 -1.755 7.193) 11.776 30.883 ( 9.094 -4.068 -5.891) 11.574 31.980 ( -8.881 -20.617 5.638) 23.145 32.033 ( -10.555 -19.512 0.963) 22.204 ======================= Grid point 381 (124/140) ======================= q-point: ( 0.38 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 9.500 8.066 4.792) 13.352 2.358 ( 7.133 5.731 -3.435) 9.774 2.732 ( 11.181 7.163 14.768) 19.860 2.957 ( -4.028 6.739 -1.628) 8.018 3.153 ( -3.481 6.419 -3.052) 7.914 3.213 ( -8.588 -2.339 -5.289) 10.354 3.431 ( -14.279 8.117 7.487) 18.051 3.626 ( -9.519 11.030 -10.378) 17.888 4.224 ( 10.625 13.562 12.613) 21.352 4.466 ( 8.206 7.177 -10.866) 15.392 4.628 ( -5.973 8.911 6.973) 12.795 4.768 ( -3.849 4.747 -6.580) 8.981 17.847 ( 4.722 -5.786 6.391) 9.830 17.912 ( 3.535 -5.101 1.763) 6.451 18.286 ( -2.557 -1.947 -0.780) 3.307 18.380 ( -4.852 -2.679 -8.033) 9.759 19.096 ( 4.145 -7.956 1.063) 9.034 19.152 ( 5.573 -5.081 -4.814) 8.947 19.686 ( -21.802 5.294 2.646) 22.591 19.773 ( -22.993 3.823 -5.867) 24.036 21.304 ( 0.190 -2.027 2.673) 3.361 21.365 ( -2.743 -1.513 -3.541) 4.728 22.687 ( -0.344 -29.990 5.752) 30.538 22.744 ( -3.256 -29.711 0.478) 29.893 26.017 ( 9.515 -0.926 7.065) 11.887 26.122 ( 4.044 -0.484 0.509) 4.105 26.277 ( 7.856 -8.156 -6.798) 13.208 26.303 ( 6.057 -6.814 -5.964) 10.894 28.785 ( 2.406 10.419 5.011) 11.809 28.879 ( -2.065 10.364 -3.926) 11.273 29.399 ( 1.913 8.740 -0.286) 8.952 29.457 ( -0.860 9.041 -5.462) 10.597 30.958 ( 10.563 -2.287 7.138) 12.952 31.066 ( 7.894 -3.271 -3.582) 9.266 31.782 ( -9.451 -18.947 4.655) 21.679 31.824 ( -9.565 -17.496 0.681) 19.951 ======================= Grid point 382 (125/140) ======================= q-point: (-0.50 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -3.917 5.716 1.548) 7.100 2.438 ( 3.917 5.716 1.548) 7.100 2.845 ( -3.176 3.254 2.840) 5.361 2.845 ( 3.176 3.254 2.840) 5.361 3.113 ( -10.328 5.910 10.452) 15.838 3.113 ( 10.328 5.910 10.452) 15.838 3.407 ( -11.057 8.523 -13.374) 19.333 3.407 ( 11.057 8.523 -13.374) 19.333 4.438 ( -9.601 11.462 9.868) 17.915 4.438 ( 9.601 11.462 9.868) 17.915 4.655 ( -7.002 6.512 -8.676) 12.912 4.655 ( 7.002 6.512 -8.676) 12.912 17.926 ( -2.313 -5.188 5.611) 7.984 17.926 ( 2.313 -5.188 5.611) 7.984 18.289 ( -3.103 -1.851 -6.057) 7.053 18.289 ( 3.103 -1.851 -6.057) 7.053 19.270 ( -9.095 -2.492 0.061) 9.430 19.270 ( 9.095 -2.492 0.061) 9.430 19.397 ( -9.519 -1.314 -3.495) 10.225 19.397 ( 9.519 -1.314 -3.495) 10.225 21.325 ( -1.555 -1.806 -0.610) 2.460 21.325 ( 1.555 -1.806 -0.610) 2.460 22.698 ( -1.375 -30.842 3.164) 31.034 22.698 ( 1.375 -30.842 3.164) 31.034 26.137 ( -2.486 -0.203 4.819) 5.426 26.137 ( 2.486 -0.203 4.819) 5.426 26.364 ( -0.516 -7.570 -7.365) 10.574 26.364 ( 0.516 -7.570 -7.365) 10.574 28.833 ( -2.392 10.961 0.867) 11.253 28.833 ( 2.392 10.961 0.867) 11.253 29.434 ( -1.442 8.370 -3.280) 9.105 29.434 ( 1.442 8.370 -3.280) 9.105 31.124 ( -3.735 -2.100 3.103) 5.290 31.124 ( 3.735 -2.100 3.103) 5.290 31.688 ( -1.929 -18.172 1.527) 18.338 31.688 ( 1.929 -18.172 1.527) 18.338 ======================= Grid point 387 (126/140) ======================= q-point: ( 0.00 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.000 10.077 11.739) 15.471 2.382 ( 0.000 11.838 0.578) 11.852 2.773 ( 0.000 5.632 -7.975) 9.763 2.831 ( 0.000 8.208 -9.816) 12.795 3.558 ( 0.000 0.046 9.589) 9.589 3.733 ( 0.000 1.581 -8.882) 9.022 3.854 ( 0.000 19.146 7.591) 20.596 4.009 ( 0.000 8.761 -6.628) 10.985 4.358 ( 0.000 -5.455 10.592) 11.914 4.545 ( 0.000 -6.955 -8.049) 10.638 4.800 ( 0.000 16.554 7.033) 17.986 4.894 ( 0.000 15.153 -2.421) 15.345 17.561 ( 0.000 -2.293 1.637) 2.818 17.594 ( 0.000 -3.162 -1.097) 3.347 18.334 ( 0.000 -6.343 -2.763) 6.919 18.348 ( 0.000 -4.874 -3.967) 6.284 19.098 ( 0.000 -7.326 -0.241) 7.330 19.132 ( 0.000 -6.185 -4.254) 7.507 20.764 ( 0.000 9.548 1.709) 9.699 20.779 ( 0.000 8.218 0.051) 8.218 21.615 ( 0.000 -1.251 3.598) 3.810 21.655 ( 0.000 -6.095 -0.527) 6.118 22.470 ( 0.000 -11.651 17.947) 21.397 22.830 ( 0.000 -11.797 -17.451) 21.065 25.101 ( 0.000 -3.830 11.254) 11.888 25.341 ( 0.000 -7.651 -12.308) 14.493 25.816 ( 0.000 -3.649 0.609) 3.700 25.825 ( 0.000 -4.804 -0.348) 4.817 28.788 ( 0.000 2.713 7.471) 7.949 28.969 ( 0.000 -0.543 -10.648) 10.662 29.601 ( 0.000 10.823 4.883) 11.874 29.689 ( 0.000 7.099 -3.846) 8.074 30.569 ( 0.000 2.590 0.953) 2.760 30.610 ( 0.000 -0.714 -3.127) 3.208 31.720 ( 0.000 -21.399 7.110) 22.549 31.811 ( 0.000 -22.234 -1.560) 22.289 ======================= Grid point 388 (127/140) ======================= q-point: ( 0.12 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 3.775 10.034 10.038) 14.687 2.380 ( -0.055 11.548 2.398) 11.794 2.718 ( -3.998 6.288 -3.083) 8.064 2.860 ( 3.345 5.940 -13.999) 15.570 3.510 ( -4.781 1.180 7.986) 9.383 3.664 ( -7.207 -1.041 -7.238) 10.267 3.929 ( 5.970 17.335 6.941) 19.604 4.027 ( -0.907 9.599 -1.494) 9.757 4.317 ( -1.322 -1.214 3.221) 3.688 4.410 ( -9.248 -2.533 -4.724) 10.689 4.864 ( 3.657 12.559 4.673) 13.890 4.928 ( 2.522 13.287 -1.436) 13.600 17.586 ( 2.453 -2.628 2.419) 4.333 17.636 ( 3.848 -2.581 -2.002) 5.047 18.325 ( -0.663 -4.628 -1.483) 4.905 18.362 ( 0.857 -5.563 -4.888) 7.455 19.023 ( -6.052 -7.750 1.202) 9.907 19.088 ( -4.132 -5.856 -5.465) 9.013 20.661 ( -10.102 9.936 4.776) 14.953 20.743 ( -5.484 10.233 -3.395) 12.096 21.468 ( -11.379 -2.892 7.274) 13.812 21.607 ( -7.049 -3.160 -6.190) 9.899 22.360 ( -8.732 -16.216 13.910) 23.080 22.608 ( -16.910 -17.288 -10.599) 26.404 25.321 ( 18.216 -3.300 8.338) 20.303 25.512 ( 15.085 -6.786 -10.330) 19.501 25.876 ( 5.517 -3.422 0.966) 6.564 25.893 ( 6.329 -4.234 -0.689) 7.645 28.813 ( 2.327 3.252 7.225) 8.258 28.987 ( 1.650 0.375 -10.255) 10.394 29.581 ( -1.813 9.628 4.891) 10.950 29.673 ( -1.491 6.761 -4.337) 8.170 30.610 ( 4.190 1.758 2.308) 5.096 30.673 ( 5.723 -0.629 -3.879) 6.942 31.684 ( -3.581 -20.591 6.743) 21.961 31.768 ( -4.145 -20.882 -1.310) 21.330 ======================= Grid point 389 (128/140) ======================= q-point: ( 0.25 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.583 10.812 4.768) 12.348 2.403 ( 2.679 8.769 1.907) 9.366 2.687 ( 2.546 4.769 8.005) 9.660 2.979 ( 8.118 3.505 -17.284) 19.415 3.365 ( -9.490 2.547 4.872) 10.968 3.453 ( -12.638 -0.681 -2.318) 12.867 3.851 ( -14.495 3.003 5.382) 15.751 3.968 ( -6.209 6.865 -5.015) 10.528 4.319 ( 5.393 10.283 4.847) 12.583 4.432 ( 9.236 5.882 -5.345) 12.185 4.900 ( -0.341 11.719 4.700) 12.631 4.962 ( 0.332 11.267 -1.333) 11.350 17.658 ( 4.527 -2.675 3.724) 6.443 17.736 ( 5.581 -2.017 -3.139) 6.714 18.300 ( -1.921 -2.745 -0.356) 3.369 18.364 ( -1.095 -5.067 -5.936) 7.881 18.918 ( -2.748 -7.448 2.879) 8.445 19.010 ( -2.051 -5.302 -6.390) 8.553 20.322 ( -23.325 9.424 6.921) 26.092 20.464 ( -23.825 12.206 -6.956) 27.659 21.269 ( -5.845 -5.143 6.556) 10.178 21.416 ( -8.899 -3.796 -7.953) 12.524 22.202 ( -5.936 -22.535 9.110) 25.021 22.325 ( -9.997 -23.522 -3.075) 25.743 25.701 ( 17.520 -2.685 6.431) 18.855 25.852 ( 16.439 -5.531 -8.138) 19.159 26.009 ( 6.805 -2.761 2.075) 7.631 26.050 ( 8.381 -3.695 -1.948) 9.364 28.876 ( 3.746 4.740 6.309) 8.735 29.026 ( 1.828 3.061 -8.599) 9.309 29.542 ( -1.619 6.723 4.120) 8.049 29.634 ( -2.258 5.479 -4.894) 7.685 30.735 ( 7.877 0.305 4.247) 8.954 30.822 ( 8.692 -1.545 -4.422) 9.874 31.579 ( -6.693 -18.349 6.017) 20.438 31.652 ( -7.097 -17.661 -1.011) 19.061 ======================= Grid point 390 (129/140) ======================= q-point: ( 0.38 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 5.995 8.238 3.641) 10.819 2.494 ( 6.568 7.446 -0.809) 9.962 2.807 ( 6.497 1.351 13.915) 15.417 3.085 ( -4.193 4.317 -7.769) 9.827 3.151 ( -9.957 -0.720 3.255) 10.501 3.286 ( 3.893 4.763 -11.312) 12.877 3.520 ( -16.519 0.969 9.982) 19.325 3.764 ( -12.116 2.148 -13.269) 18.096 4.505 ( 10.522 13.738 7.482) 18.853 4.633 ( 9.540 9.175 -5.067) 14.173 4.850 ( -4.360 12.209 5.584) 14.115 4.931 ( -3.425 10.282 -2.400) 11.100 17.758 ( 5.092 -2.477 4.481) 7.221 17.834 ( 3.303 -2.256 -1.673) 4.336 18.258 ( -1.638 -1.273 -2.257) 3.065 18.316 ( -3.244 -3.657 -6.728) 8.316 18.966 ( 8.417 -4.802 3.553) 10.321 19.058 ( 7.555 -4.104 -5.795) 10.369 19.793 ( -26.856 4.802 3.321) 27.483 19.867 ( -31.372 5.913 -3.887) 32.160 21.231 ( 0.666 -4.774 2.431) 5.399 21.301 ( -3.105 -4.523 -4.437) 7.056 22.124 ( -2.001 -25.130 5.706) 25.847 22.182 ( -4.841 -25.185 -0.044) 25.646 25.988 ( 10.528 -1.971 6.066) 12.310 26.106 ( 5.587 -1.298 0.020) 5.736 26.134 ( 7.524 -5.653 -3.224) 9.948 26.196 ( 5.282 -3.983 -3.816) 7.637 28.954 ( 3.785 6.646 4.213) 8.732 29.046 ( -0.077 6.395 -4.692) 7.931 29.526 ( 0.147 3.509 1.391) 3.778 29.587 ( -2.265 3.606 -4.393) 6.118 30.914 ( 9.428 -1.752 5.218) 10.917 31.003 ( 8.362 -2.723 -3.471) 9.454 31.426 ( -7.694 -15.480 5.211) 18.056 31.494 ( -8.236 -14.573 -1.308) 16.791 ======================= Grid point 391 (130/140) ======================= q-point: (-0.50 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -3.859 6.321 4.008) 8.421 2.563 ( 3.859 6.321 4.008) 8.421 2.889 ( -7.891 1.529 -1.123) 8.116 2.889 ( 7.891 1.529 -1.123) 8.116 3.205 ( -12.208 3.200 11.669) 17.188 3.205 ( 12.208 3.200 11.669) 17.188 3.509 ( -12.553 1.740 -15.784) 20.242 3.509 ( 12.553 1.740 -15.784) 20.242 4.695 ( -7.185 13.174 5.657) 16.037 4.695 ( 7.185 13.174 5.657) 16.037 4.829 ( -5.933 9.906 -2.769) 11.874 4.829 ( 5.933 9.906 -2.769) 11.874 17.842 ( -2.488 -2.548 2.849) 4.561 17.842 ( 2.488 -2.548 2.849) 4.561 18.259 ( -1.832 -1.647 -6.064) 6.545 18.259 ( 1.832 -1.647 -6.064) 6.545 19.253 ( -11.460 0.618 -0.713) 11.499 19.253 ( 11.460 0.618 -0.713) 11.499 19.362 ( -8.813 -1.786 -0.523) 9.008 19.362 ( 8.813 -1.786 -0.523) 9.008 21.258 ( -1.660 -4.334 -1.022) 4.752 21.258 ( 1.660 -4.334 -1.022) 4.752 22.119 ( -1.472 -25.762 2.656) 25.940 22.119 ( 1.472 -25.762 2.656) 25.940 26.122 ( -2.867 -1.327 5.114) 6.011 26.122 ( 2.867 -1.327 5.114) 6.011 26.239 ( -1.425 -4.855 -5.465) 7.448 26.239 ( 1.425 -4.855 -5.465) 7.448 29.020 ( -2.465 7.736 0.387) 8.128 29.020 ( 2.465 7.736 0.387) 8.128 29.546 ( -1.686 2.392 -2.201) 3.662 29.546 ( 1.686 2.392 -2.201) 3.662 31.074 ( -4.023 -2.726 2.746) 5.582 31.074 ( 4.023 -2.726 2.746) 5.582 31.354 ( -3.373 -14.020 0.238) 14.422 31.354 ( 3.373 -14.020 0.238) 14.422 ======================= Grid point 396 (131/140) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 9.485 6.355) 11.417 2.587 ( 0.000 7.482 -7.259) 10.424 2.874 ( 0.000 4.842 0.800) 4.908 2.970 ( 0.000 5.065 -6.717) 8.413 3.558 ( 0.000 0.602 6.676) 6.703 3.685 ( 0.000 -3.573 -6.357) 7.293 4.179 ( 0.000 7.430 2.572) 7.863 4.212 ( 0.000 6.403 -0.569) 6.429 4.246 ( 0.000 0.113 7.542) 7.543 4.397 ( 0.000 -4.728 -7.201) 8.614 5.109 ( 0.000 12.780 5.790) 14.031 5.172 ( 0.000 10.988 -0.532) 11.000 17.565 ( 0.000 2.083 -1.897) 2.817 17.574 ( 0.000 0.914 -2.250) 2.428 18.215 ( 0.000 -5.128 -1.030) 5.231 18.249 ( 0.000 -4.769 -4.488) 6.549 18.972 ( 0.000 -4.973 -0.069) 4.974 19.010 ( 0.000 -5.628 -4.363) 7.121 20.933 ( 0.000 7.001 2.987) 7.612 20.933 ( 0.000 6.757 2.160) 7.094 21.511 ( 0.000 -7.117 2.586) 7.572 21.539 ( 0.000 -5.706 -0.595) 5.737 22.336 ( 0.000 -1.917 15.170) 15.291 22.626 ( 0.000 -8.675 -13.211) 15.804 25.030 ( 0.000 -2.808 6.507) 7.087 25.185 ( 0.000 -7.421 -8.796) 11.508 25.762 ( 0.000 -1.629 0.752) 1.794 25.765 ( 0.000 -1.476 0.414) 1.533 28.818 ( 0.000 0.712 4.088) 4.149 28.930 ( 0.000 -2.818 -7.113) 7.651 29.765 ( 0.000 5.263 1.552) 5.487 29.786 ( 0.000 2.896 -0.581) 2.953 30.653 ( 0.000 4.995 -0.674) 5.041 30.658 ( 0.000 5.969 -1.159) 6.080 31.325 ( 0.000 -17.301 5.325) 18.102 31.396 ( 0.000 -18.538 -1.607) 18.607 ======================= Grid point 397 (132/140) ======================= q-point: ( 0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 3.558 9.246 5.994) 11.579 2.593 ( 0.218 8.685 -4.279) 9.685 2.816 ( -4.772 3.626 1.898) 6.287 2.947 ( -0.762 2.524 -9.532) 9.890 3.537 ( -2.522 1.945 4.844) 5.797 3.626 ( -5.889 -1.673 -3.801) 7.206 4.101 ( -9.518 -2.912 4.044) 10.744 4.163 ( -5.595 0.603 -1.137) 5.741 4.345 ( 7.869 6.105 1.592) 10.086 4.394 ( 4.413 5.561 -3.522) 7.925 5.128 ( 1.362 11.719 5.205) 12.895 5.183 ( 0.745 10.397 -0.188) 10.426 17.580 ( 2.234 1.750 0.159) 2.842 17.627 ( 4.314 1.318 -4.205) 6.167 18.227 ( 0.929 -4.769 -0.916) 4.944 18.258 ( 0.649 -4.712 -4.141) 6.307 18.896 ( -5.933 -4.629 1.784) 7.734 18.972 ( -3.636 -5.465 -6.139) 8.987 20.851 ( -7.861 8.791 7.029) 13.729 20.935 ( -1.638 8.119 -1.455) 8.409 21.390 ( -11.159 -4.027 5.664) 13.146 21.507 ( -5.288 -6.207 -5.098) 9.617 22.113 ( -18.068 -8.153 10.450) 22.409 22.302 ( -25.597 -12.767 -8.297) 29.783 25.258 ( 18.807 -2.550 4.885) 19.598 25.377 ( 16.630 -6.239 -6.851) 19.037 25.828 ( 6.063 -1.373 0.970) 6.292 25.837 ( 6.564 -1.578 0.156) 6.753 28.853 ( 3.357 1.177 4.103) 5.430 28.964 ( 3.238 -2.201 -7.005) 8.025 29.722 ( -3.671 4.410 2.545) 6.277 29.766 ( -2.282 2.679 -1.804) 3.954 30.680 ( 3.197 5.297 0.804) 6.239 30.711 ( 4.500 4.249 -2.209) 6.572 31.307 ( -1.749 -16.273 5.325) 17.211 31.380 ( -1.682 -17.313 -1.716) 17.479 ======================= Grid point 398 (133/140) ======================= q-point: ( 0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 2.898 8.444 3.982) 9.775 2.593 ( 0.477 9.561 -0.082) 9.573 2.749 ( 0.189 1.476 6.857) 7.017 2.989 ( 4.752 -2.171 -14.395) 15.314 3.427 ( -9.373 3.726 3.022) 10.529 3.475 ( -7.252 2.620 -0.703) 7.743 3.830 ( -16.401 -3.573 4.484) 17.374 3.970 ( -11.499 -4.926 -8.445) 15.093 4.534 ( 10.890 10.074 3.369) 15.213 4.586 ( 11.660 7.880 -1.539) 14.157 5.138 ( -0.877 10.535 4.617) 11.536 5.184 ( -1.002 9.366 0.050) 9.420 17.652 ( 4.730 2.000 2.081) 5.541 17.732 ( 5.605 1.313 -5.235) 7.781 18.236 ( -0.378 -3.868 -1.277) 4.091 18.260 ( -0.758 -4.836 -3.632) 6.095 18.805 ( -1.251 -3.496 3.421) 5.048 18.909 ( -1.018 -4.673 -7.178) 8.625 20.522 ( -26.313 10.505 11.382) 30.533 20.724 ( -26.437 12.903 -8.889) 30.732 21.151 ( -6.112 -6.125 7.532) 11.472 21.315 ( -9.797 -5.599 -8.511) 14.134 21.798 ( -10.161 -17.327 7.254) 21.356 21.899 ( -12.178 -18.147 -2.877) 22.043 25.650 ( 18.064 -2.095 4.105) 18.643 25.743 ( 17.415 -4.941 -4.947) 18.766 25.972 ( 7.273 -1.047 1.647) 7.531 25.996 ( 8.235 -1.837 -0.637) 8.461 28.946 ( 5.642 2.552 4.002) 7.373 29.052 ( 5.083 -0.201 -6.538) 8.284 29.633 ( -4.793 2.590 3.354) 6.397 29.698 ( -4.219 1.090 -3.078) 5.335 30.774 ( 5.756 3.673 2.350) 7.222 30.826 ( 6.573 1.865 -2.781) 7.376 31.255 ( -3.403 -13.388 5.188) 14.756 31.328 ( -3.455 -14.203 -1.922) 14.743 ======================= Grid point 399 (134/140) ======================= q-point: ( 0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.537 6.906 4.029) 8.742 2.643 ( 4.648 6.580 1.979) 8.296 2.826 ( 4.953 1.078 8.049) 9.512 3.041 ( -3.898 -4.258 -6.690) 8.836 3.259 ( -4.188 6.703 -0.467) 7.917 3.359 ( -1.247 3.023 -7.889) 8.540 3.495 ( -15.361 -2.749 8.710) 17.871 3.730 ( -12.020 -4.583 -13.453) 18.613 4.758 ( 10.667 10.515 4.299) 15.583 4.816 ( 10.583 8.003 -1.405) 13.343 5.085 ( -4.422 10.059 4.492) 11.871 5.132 ( -4.226 8.533 -0.241) 9.525 17.758 ( 5.257 2.411 2.852) 6.448 17.828 ( 3.181 1.626 -3.191) 4.791 18.214 ( -1.349 -3.626 -3.005) 4.899 18.229 ( -1.927 -4.789 -4.021) 6.543 18.903 ( 11.830 -1.452 3.002) 12.291 18.987 ( 9.593 -2.956 -5.406) 11.401 19.889 ( -32.496 5.099 5.835) 33.407 19.996 ( -38.776 5.739 -4.934) 39.507 21.137 ( 1.864 -3.635 3.224) 5.204 21.209 ( -2.083 -3.637 -3.647) 5.556 21.677 ( -3.045 -18.796 4.235) 19.506 21.735 ( -5.459 -18.753 -1.395) 19.581 25.948 ( 11.094 -1.638 3.982) 11.901 26.029 ( 10.382 -4.179 -3.899) 11.852 26.088 ( 3.566 -0.951 2.571) 4.498 26.132 ( 4.586 -2.444 -1.768) 5.489 29.067 ( 5.910 4.719 3.196) 8.211 29.147 ( 3.573 3.605 -4.715) 6.928 29.546 ( -3.256 -0.974 2.584) 4.270 29.606 ( -4.602 -1.424 -3.313) 5.847 30.901 ( 6.611 0.766 3.451) 7.497 30.964 ( 6.654 -0.993 -2.614) 7.218 31.172 ( -4.600 -9.516 4.639) 11.543 31.241 ( -5.048 -10.379 -2.090) 11.729 ======================= Grid point 400 (135/140) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -3.760 5.822 6.495) 9.498 2.687 ( 3.760 5.822 6.495) 9.498 2.906 ( -6.122 -0.132 -1.475) 6.299 2.906 ( 6.122 -0.132 -1.475) 6.299 3.260 ( -6.666 2.743 6.650) 9.807 3.260 ( 6.666 2.743 6.650) 9.807 3.495 ( -10.863 -2.652 -14.522) 18.329 3.495 ( 10.863 -2.652 -14.522) 18.329 4.942 ( -5.928 10.493 3.479) 12.544 4.942 ( 5.928 10.493 3.479) 12.544 5.018 ( -5.612 7.902 0.138) 9.693 5.018 ( 5.612 7.902 0.138) 9.693 17.840 ( -2.151 2.452 0.966) 3.401 17.840 ( 2.151 2.452 0.966) 3.401 18.201 ( -0.428 -4.376 -4.317) 6.162 18.201 ( 0.428 -4.376 -4.317) 6.162 19.281 ( -7.167 1.765 -1.785) 7.594 19.281 ( 7.167 1.765 -1.785) 7.594 19.338 ( -2.364 -0.391 0.662) 2.486 19.338 ( 2.364 -0.391 0.662) 2.486 21.178 ( -1.728 -2.700 0.230) 3.214 21.178 ( 1.728 -2.700 0.230) 3.214 21.663 ( -1.603 -19.172 0.944) 19.262 21.663 ( 1.603 -19.172 0.944) 19.262 26.091 ( -3.198 -1.311 3.362) 4.822 26.091 ( 3.198 -1.311 3.362) 4.822 26.159 ( -2.265 -3.223 -2.810) 4.839 26.159 ( 2.265 -3.223 -2.810) 4.839 29.161 ( -2.547 6.482 0.089) 6.965 29.161 ( 2.547 6.482 0.089) 6.965 29.531 ( -2.046 -3.548 -1.204) 4.269 29.531 ( 2.046 -3.548 -1.204) 4.269 31.022 ( -4.052 -2.111 2.912) 5.418 31.022 ( 4.052 -2.111 2.912) 5.418 31.136 ( -4.189 -7.560 -1.109) 8.714 31.136 ( 4.189 -7.560 -1.109) 8.714 ======================= Grid point 405 (136/140) ======================= q-point: ( 0.00 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 6.238 -0.006) 6.238 2.659 ( 0.000 -0.346 -6.873) 6.882 2.974 ( 0.000 4.441 2.459) 5.077 3.023 ( 0.000 0.033 -2.479) 2.479 3.583 ( 0.000 1.678 2.535) 3.040 3.623 ( 0.000 -2.424 -1.633) 2.922 4.138 ( 0.000 -1.185 3.041) 3.263 4.178 ( 0.000 -4.556 -0.708) 4.610 4.399 ( 0.000 5.272 0.516) 5.297 4.424 ( 0.000 2.402 -2.031) 3.146 5.295 ( 0.000 5.326 3.818) 6.553 5.318 ( 0.000 3.152 1.577) 3.525 17.609 ( 0.000 1.724 -3.156) 3.596 17.613 ( 0.000 1.662 -3.809) 4.156 18.142 ( 0.000 -1.514 -1.232) 1.952 18.163 ( 0.000 -3.220 -3.459) 4.726 18.905 ( 0.000 -1.448 -0.869) 1.688 18.919 ( 0.000 -2.863 -2.549) 3.834 21.040 ( 0.000 3.242 4.098) 5.226 21.040 ( 0.000 3.198 4.533) 5.548 21.403 ( 0.000 -2.697 1.605) 3.138 21.424 ( 0.000 -4.431 -0.761) 4.496 22.363 ( 0.000 3.827 5.843) 6.985 22.471 ( 0.000 -6.603 -4.661) 8.083 25.003 ( 0.000 0.550 1.187) 1.308 25.058 ( 0.000 -4.733 -4.158) 6.300 25.746 ( 0.000 -0.186 0.892) 0.911 25.748 ( 0.000 -0.378 0.679) 0.777 28.834 ( 0.000 1.186 0.470) 1.276 28.872 ( 0.000 -2.556 -3.333) 4.200 29.823 ( 0.000 0.961 0.136) 0.971 29.825 ( 0.000 1.029 -0.011) 1.029 30.806 ( 0.000 8.567 -0.014) 8.567 30.807 ( 0.000 9.908 -0.103) 9.909 31.024 ( 0.000 -12.229 2.729) 12.530 31.063 ( 0.000 -14.247 -0.976) 14.281 ======================= Grid point 406 (137/140) ======================= q-point: ( 0.12 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 3.219 6.131 0.724) 6.962 2.690 ( 2.726 0.263 -5.672) 6.298 2.891 ( -6.832 4.090 2.881) 8.468 2.956 ( -5.070 -1.625 -3.711) 6.490 3.582 ( -0.809 2.031 1.611) 2.716 3.607 ( -2.365 -0.578 -0.854) 2.580 4.037 ( -9.733 -1.466 1.726) 9.993 4.074 ( -9.557 -4.789 -1.661) 10.818 4.485 ( 7.947 4.620 0.773) 9.225 4.502 ( 7.534 2.892 -0.916) 8.122 5.303 ( 0.406 5.011 3.650) 6.213 5.323 ( 0.222 3.081 1.653) 3.503 17.634 ( 2.828 2.744 -2.035) 4.435 17.658 ( 3.890 0.702 -4.372) 5.894 18.155 ( 0.950 -1.623 -1.067) 2.162 18.174 ( 0.800 -3.160 -3.161) 4.541 18.844 ( -4.756 -0.401 -0.090) 4.774 18.878 ( -3.680 -3.508 -3.635) 6.250 21.006 ( -3.455 5.832 7.322) 9.978 21.047 ( 0.358 2.232 3.489) 4.157 21.335 ( -7.961 -0.708 1.500) 8.132 21.383 ( -4.987 -5.158 -2.491) 7.595 22.027 ( -28.296 -0.306 3.087) 28.465 22.098 ( -30.947 -7.069 -3.857) 31.977 25.232 ( 18.898 0.232 1.122) 18.933 25.273 ( 18.147 -3.787 -2.935) 18.769 25.814 ( 6.235 -0.150 0.874) 6.298 25.818 ( 6.367 -0.460 0.556) 6.408 28.876 ( 4.060 1.391 0.592) 4.332 28.915 ( 4.081 -2.360 -3.234) 5.717 29.777 ( -4.063 1.504 0.825) 4.411 29.792 ( -3.426 0.099 -0.672) 3.493 30.826 ( 2.015 8.451 0.350) 8.695 30.833 ( 2.366 7.990 -0.340) 8.340 31.029 ( 0.418 -11.023 2.804) 11.382 31.070 ( 0.561 -13.127 -1.117) 13.186 ======================= Grid point 407 (138/140) ======================= q-point: ( 0.25 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 0.978 5.278 4.428) 6.958 2.749 ( -0.572 -1.578 5.533) 5.782 2.772 ( 0.551 7.857 -4.093) 8.877 2.908 ( 1.595 -5.514 -8.810) 10.515 3.504 ( -7.419 3.460 2.600) 8.589 3.533 ( -4.381 1.615 0.982) 4.771 3.769 ( -15.717 -0.588 -0.582) 15.739 3.841 ( -12.317 -6.414 -6.558) 15.357 4.686 ( 11.201 4.333 1.607) 12.117 4.701 ( 11.312 2.788 0.158) 11.651 5.295 ( -1.479 4.542 3.328) 5.822 5.312 ( -1.574 2.904 1.646) 3.691 17.719 ( 5.376 3.666 -0.376) 6.518 17.759 ( 5.817 0.251 -4.136) 7.142 18.162 ( -0.754 -2.144 -1.025) 2.493 18.177 ( -0.915 -3.166 -2.789) 4.317 18.779 ( 0.089 0.761 0.308) 0.826 18.825 ( 0.108 -3.449 -4.408) 5.598 20.747 ( -29.079 11.237 12.055) 33.425 20.915 ( -37.274 -0.301 -0.870) 37.285 21.067 ( 1.627 2.853 1.682) 3.690 21.202 ( -7.092 -6.058 -7.905) 12.227 21.540 ( -12.864 -5.877 3.673) 14.612 21.602 ( -13.449 -10.457 -2.419) 17.206 25.628 ( 18.386 0.184 1.403) 18.440 25.660 ( 18.172 -2.971 -1.744) 18.496 25.962 ( 7.405 -0.022 0.949) 7.465 25.970 ( 7.724 -0.798 0.187) 7.768 28.991 ( 7.079 2.023 0.888) 7.416 29.030 ( 7.078 -1.697 -2.971) 7.862 29.668 ( -6.478 1.317 1.342) 6.745 29.694 ( -6.083 -1.054 -1.190) 6.288 30.881 ( 3.160 6.325 0.859) 7.123 30.894 ( 3.449 4.838 -0.484) 5.961 31.038 ( 0.294 -7.892 2.738) 8.359 31.079 ( 0.142 -10.228 -1.223) 10.302 ======================= Grid point 408 (139/140) ======================= q-point: ( 0.38 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 2.895 3.885 5.419) 7.269 2.731 ( 2.532 1.512 6.711) 7.331 2.867 ( 3.874 3.320 -1.110) 5.221 2.951 ( -0.507 -4.521 -4.516) 6.410 3.358 ( -4.093 3.125 0.083) 5.150 3.414 ( -7.417 -1.696 4.958) 9.082 3.469 ( -11.414 5.037 -7.187) 14.398 3.607 ( -10.655 -7.018 -11.344) 17.072 4.912 ( 10.672 4.343 2.290) 11.748 4.928 ( 10.712 2.615 0.639) 11.045 5.234 ( -4.716 4.277 3.016) 7.045 5.250 ( -4.705 2.683 1.411) 5.597 17.839 ( 6.181 4.666 0.716) 7.777 17.878 ( 5.461 1.815 -2.712) 6.362 18.120 ( -3.054 -3.619 -1.161) 4.875 18.135 ( -2.967 -4.229 -2.894) 5.921 18.902 ( 13.027 1.128 -0.173) 13.076 18.937 ( 11.862 -2.084 -3.508) 12.544 19.997 ( -38.514 5.045 4.163) 39.065 20.059 ( -42.002 -0.164 -2.007) 42.050 21.119 ( 3.370 2.312 2.152) 4.619 21.173 ( 1.455 -0.826 -3.002) 3.437 21.387 ( -4.968 -8.019 3.177) 9.954 21.432 ( -5.924 -10.494 -1.194) 12.110 25.932 ( 11.360 0.268 1.564) 11.470 25.961 ( 11.120 -2.484 -1.174) 11.455 26.078 ( 3.449 0.104 1.179) 3.646 26.093 ( 3.827 -1.379 -0.293) 4.078 29.150 ( 8.311 3.313 1.136) 9.019 29.187 ( 8.067 0.054 -2.561) 8.464 29.525 ( -7.483 -0.138 1.527) 7.638 29.555 ( -7.407 -2.749 -1.533) 8.049 30.946 ( 3.177 3.381 1.345) 4.831 30.965 ( 3.401 1.101 -0.483) 3.607 31.035 ( -0.694 -4.090 2.304) 4.745 31.069 ( -1.170 -6.583 -1.017) 6.763 ======================= Grid point 409 (140/140) ======================= q-point: (-0.50 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -2.462 4.804 6.394) 8.368 2.795 ( 2.462 4.804 6.394) 8.368 2.875 ( -1.872 -2.898 2.918) 4.518 2.875 ( 1.872 -2.898 2.918) 4.518 3.330 ( -1.696 4.153 -2.672) 5.222 3.330 ( 1.696 4.153 -2.672) 5.222 3.420 ( -7.171 -4.394 -10.152) 13.183 3.420 ( 7.171 -4.394 -10.152) 13.183 5.099 ( -5.459 4.674 2.325) 7.553 5.099 ( 5.459 4.674 2.325) 7.553 5.125 ( -5.425 2.185 1.414) 6.017 5.125 ( 5.425 2.185 1.414) 6.017 17.935 ( -1.597 6.543 -0.374) 6.745 17.935 ( 1.597 6.543 -0.374) 6.745 18.081 ( -0.976 -7.161 -2.067) 7.517 18.081 ( 0.976 -7.161 -2.067) 7.517 19.316 ( -11.904 1.520 -1.234) 12.064 19.316 ( 11.903 1.520 -1.234) 12.063 19.336 ( -12.730 -0.347 -0.681) 12.753 19.336 ( 12.731 -0.347 -0.681) 12.754 21.183 ( -1.917 3.875 0.845) 4.405 21.183 ( 1.917 3.875 0.845) 4.405 21.345 ( -1.817 -12.003 0.287) 12.143 21.345 ( 1.817 -12.003 0.287) 12.143 26.080 ( -3.145 0.315 1.290) 3.414 26.080 ( 3.145 0.315 1.290) 3.414 26.105 ( -2.811 -2.065 -0.600) 3.539 26.105 ( 2.811 -2.065 -0.600) 3.539 29.292 ( -2.543 6.560 -0.122) 7.037 29.292 ( 2.543 6.560 -0.122) 7.037 29.425 ( -2.383 -6.348 -0.498) 6.799 29.425 ( 2.383 -6.348 -0.498) 6.799 31.000 ( -1.783 0.155 1.637) 2.425 31.000 ( 1.783 0.155 1.637) 2.425 31.032 ( -2.196 -3.092 -0.501) 3.826 31.032 ( 2.196 -3.093 -0.501) 3.826 =================== 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 3/26208 10.0 2304.163 1647.074 2228.971 0.000 0.000 0.000 3/26208 20.0 456.897 418.467 448.175 0.000 0.000 0.000 3/26208 30.0 178.290 181.647 182.296 0.000 0.000 0.000 3/26208 40.0 111.202 118.058 115.898 0.000 0.000 0.000 3/26208 50.0 86.117 92.475 90.313 0.000 0.000 0.000 3/26208 60.0 73.274 78.639 76.843 0.000 0.000 0.000 3/26208 70.0 64.990 69.462 68.011 0.000 0.000 0.000 3/26208 80.0 58.760 62.515 61.333 0.000 0.000 0.000 3/26208 90.0 53.576 56.773 55.775 0.000 0.000 0.000 3/26208 100.0 48.956 51.728 50.832 0.000 0.000 0.000 3/26208 110.0 44.664 47.118 46.250 0.000 0.000 0.000 3/26208 120.0 40.610 42.827 41.933 0.000 0.000 0.000 3/26208 130.0 36.788 38.823 37.876 0.000 0.000 0.000 3/26208 140.0 33.230 35.117 34.114 0.000 0.000 0.000 3/26208 150.0 29.969 31.727 30.682 0.000 0.000 0.000 3/26208 160.0 27.027 28.666 27.599 0.000 0.000 0.000 3/26208 170.0 24.405 25.931 24.863 0.000 0.000 0.000 3/26208 180.0 22.089 23.508 22.455 0.000 0.000 -0.000 3/26208 190.0 20.054 21.372 20.349 0.000 0.000 -0.000 3/26208 200.0 18.273 19.495 18.511 0.000 0.000 -0.000 3/26208 210.0 16.715 17.848 16.907 0.000 0.000 -0.000 3/26208 220.0 15.351 16.403 15.507 0.000 0.000 -0.000 3/26208 230.0 14.155 15.132 14.281 0.000 0.000 -0.000 3/26208 240.0 13.103 14.013 13.206 0.000 0.000 -0.000 3/26208 250.0 12.176 13.024 12.258 0.000 0.000 -0.000 3/26208 260.0 11.354 12.148 11.421 0.000 0.000 -0.000 3/26208 270.0 10.625 11.369 10.678 0.000 0.000 -0.000 3/26208 280.0 9.974 10.674 10.017 0.000 0.000 -0.000 3/26208 290.0 9.392 10.051 9.425 0.000 0.000 -0.000 3/26208 300.0 8.869 9.492 8.894 0.000 0.000 -0.000 3/26208 310.0 8.397 8.987 8.415 0.000 0.000 -0.000 3/26208 320.0 7.970 8.531 7.983 0.000 0.000 -0.000 3/26208 330.0 7.583 8.116 7.590 0.000 0.000 -0.000 3/26208 340.0 7.230 7.738 7.233 0.000 0.000 -0.000 3/26208 350.0 6.907 7.393 6.906 0.000 0.000 -0.000 3/26208 360.0 6.611 7.077 6.607 0.000 0.000 -0.000 3/26208 370.0 6.339 6.786 6.332 0.000 0.000 -0.000 3/26208 380.0 6.088 6.518 6.079 0.000 0.000 -0.000 3/26208 390.0 5.856 6.270 5.845 0.000 0.000 -0.000 3/26208 400.0 5.641 6.041 5.628 0.000 0.000 -0.000 3/26208 410.0 5.442 5.827 5.427 0.000 0.000 -0.000 3/26208 420.0 5.256 5.629 5.239 0.000 0.000 -0.000 3/26208 430.0 5.083 5.444 5.065 0.000 0.000 -0.000 3/26208 440.0 4.920 5.270 4.901 0.000 0.000 -0.000 3/26208 450.0 4.768 5.108 4.749 0.000 0.000 -0.000 3/26208 460.0 4.626 4.956 4.605 0.000 0.000 -0.000 3/26208 470.0 4.491 4.813 4.470 0.000 0.000 -0.000 3/26208 480.0 4.365 4.678 4.343 0.000 0.000 -0.000 3/26208 490.0 4.246 4.551 4.223 0.000 0.000 -0.000 3/26208 500.0 4.133 4.430 4.110 0.000 0.000 -0.000 3/26208 510.0 4.026 4.316 4.003 0.000 0.000 -0.000 3/26208 520.0 3.925 4.208 3.902 0.000 0.000 -0.000 3/26208 530.0 3.829 4.106 3.805 0.000 0.000 -0.000 3/26208 540.0 3.738 4.009 3.714 0.000 0.000 -0.000 3/26208 550.0 3.651 3.916 3.627 0.000 0.000 -0.000 3/26208 560.0 3.568 3.828 3.544 0.000 0.000 -0.000 3/26208 570.0 3.489 3.744 3.465 0.000 0.000 -0.000 3/26208 580.0 3.414 3.663 3.390 0.000 0.000 -0.000 3/26208 590.0 3.342 3.586 3.318 0.000 0.000 -0.000 3/26208 600.0 3.273 3.513 3.249 0.000 0.000 -0.000 3/26208 610.0 3.207 3.442 3.183 0.000 0.000 -0.000 3/26208 620.0 3.144 3.375 3.119 0.000 0.000 -0.000 3/26208 630.0 3.083 3.310 3.059 0.000 0.000 -0.000 3/26208 640.0 3.025 3.248 3.000 0.000 0.000 -0.000 3/26208 650.0 2.969 3.188 2.944 0.000 0.000 -0.000 3/26208 660.0 2.915 3.130 2.890 0.000 0.000 -0.000 3/26208 670.0 2.863 3.075 2.838 0.000 0.000 -0.000 3/26208 680.0 2.813 3.021 2.789 0.000 0.000 -0.000 3/26208 690.0 2.764 2.970 2.740 0.000 0.000 -0.000 3/26208 700.0 2.718 2.920 2.694 0.000 0.000 -0.000 3/26208 710.0 2.673 2.872 2.649 0.000 0.000 -0.000 3/26208 720.0 2.629 2.826 2.606 0.000 0.000 -0.000 3/26208 730.0 2.587 2.781 2.564 0.000 0.000 -0.000 3/26208 740.0 2.547 2.737 2.524 0.000 0.000 -0.000 3/26208 750.0 2.508 2.695 2.484 0.000 0.000 -0.000 3/26208 760.0 2.470 2.655 2.447 0.000 0.000 -0.000 3/26208 770.0 2.433 2.615 2.410 0.000 0.000 -0.000 3/26208 780.0 2.397 2.577 2.374 0.000 0.000 -0.000 3/26208 790.0 2.362 2.540 2.340 0.000 0.000 -0.000 3/26208 800.0 2.329 2.504 2.306 0.000 0.000 -0.000 3/26208 810.0 2.296 2.469 2.274 0.000 0.000 -0.000 3/26208 820.0 2.264 2.435 2.242 0.000 0.000 -0.000 3/26208 830.0 2.234 2.402 2.212 0.000 0.000 -0.000 3/26208 840.0 2.204 2.370 2.182 0.000 0.000 -0.000 3/26208 850.0 2.174 2.339 2.153 0.000 0.000 -0.000 3/26208 860.0 2.146 2.309 2.125 0.000 0.000 -0.000 3/26208 870.0 2.119 2.279 2.097 0.000 0.000 -0.000 3/26208 880.0 2.092 2.251 2.071 0.000 0.000 -0.000 3/26208 890.0 2.066 2.223 2.045 0.000 0.000 -0.000 3/26208 900.0 2.040 2.195 2.019 0.000 0.000 -0.000 3/26208 910.0 2.015 2.169 1.995 0.000 0.000 -0.000 3/26208 920.0 1.991 2.143 1.971 0.000 0.000 -0.000 3/26208 930.0 1.967 2.118 1.947 0.000 0.000 -0.000 3/26208 940.0 1.944 2.093 1.924 0.000 0.000 -0.000 3/26208 950.0 1.922 2.069 1.902 0.000 0.000 -0.000 3/26208 960.0 1.900 2.045 1.880 0.000 0.000 -0.000 3/26208 970.0 1.878 2.022 1.859 0.000 0.000 -0.000 3/26208 980.0 1.857 2.000 1.838 0.000 0.000 -0.000 3/26208 990.0 1.837 1.978 1.818 0.000 0.000 -0.000 3/26208 1000.0 1.817 1.956 1.798 0.000 0.000 -0.000 3/26208 Thermal conductivity related properties were written into "kappa-m8137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:34:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|