----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:37:48]------------------------- 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 7.143630420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.476528289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.982673540000000 Atomic positions (fractional): *1 Li 0.09596601128487 0.25000000000000 0.02834833123292 6.941 2 Li 0.90403398871513 0.75000000000000 0.97165166876708 6.941 3 Li 0.40403398871513 0.75000000000000 0.52834833123292 6.941 4 Li 0.59596601128487 0.25000000000000 0.47165166876708 6.941 *5 N 0.11944680808735 0.75000000000000 0.26812782701185 14.007 6 N 0.61944680808735 0.75000000000000 0.23187217298815 14.007 7 N 0.88055319191265 0.25000000000000 0.73187217298815 14.007 8 N 0.38055319191265 0.25000000000000 0.76812782701185 14.007 *9 Mg 0.64413592654696 0.25000000000000 0.97962732754497 24.305 10 Mg 0.85586407345304 0.75000000000000 0.47962732754497 24.305 11 Mg 0.14413592654696 0.25000000000000 0.52037267245503 24.305 12 Mg 0.35586407345304 0.75000000000000 0.02037267245503 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.143630420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.476528289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.982673540000000 Atomic positions (fractional): *1 Li 0.09596601128487 0.25000000000000 0.02834833123292 6.941 > 1 2 Li 0.90403398871513 0.75000000000000 0.97165166876708 6.941 > 2 3 Li 0.40403398871513 0.75000000000000 0.52834833123292 6.941 > 3 4 Li 0.59596601128487 0.25000000000000 0.47165166876708 6.941 > 4 *5 N 0.11944680808735 0.75000000000000 0.26812782701185 14.007 > 5 6 N 0.61944680808735 0.75000000000000 0.23187217298815 14.007 > 6 7 N 0.88055319191265 0.25000000000000 0.73187217298815 14.007 > 7 8 N 0.38055319191265 0.25000000000000 0.76812782701185 14.007 > 8 *9 Mg 0.64413592654696 0.25000000000000 0.97962732754497 24.305 > 9 10 Mg 0.85586407345304 0.75000000000000 0.47962732754497 24.305 > 10 11 Mg 0.14413592654696 0.25000000000000 0.52037267245503 24.305 > 11 12 Mg 0.35586407345304 0.75000000000000 0.02037267245503 24.305 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.287260840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.429584869999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.965347080000001 Atomic positions (fractional): *1 Li 0.04798300564244 0.08333333333333 0.01417416561646 6.941 > 1 2 Li 0.54798300564243 0.08333333333333 0.01417416561646 6.941 > 1 3 Li 0.04798300564244 0.41666666666667 0.01417416561646 6.941 > 1 4 Li 0.54798300564243 0.41666666666667 0.01417416561646 6.941 > 1 5 Li 0.04798300564244 0.75000000000000 0.01417416561646 6.941 > 1 6 Li 0.54798300564243 0.75000000000000 0.01417416561646 6.941 > 1 7 Li 0.04798300564244 0.08333333333333 0.51417416561646 6.941 > 1 8 Li 0.54798300564243 0.08333333333333 0.51417416561646 6.941 > 1 9 Li 0.04798300564244 0.41666666666667 0.51417416561646 6.941 > 1 10 Li 0.54798300564243 0.41666666666667 0.51417416561646 6.941 > 1 11 Li 0.04798300564244 0.75000000000000 0.51417416561646 6.941 > 1 12 Li 0.54798300564243 0.75000000000000 0.51417416561646 6.941 > 1 13 Li 0.45201699435756 0.25000000000000 0.48582583438354 6.941 > 2 14 Li 0.95201699435756 0.25000000000000 0.48582583438354 6.941 > 2 15 Li 0.45201699435756 0.58333333333333 0.48582583438354 6.941 > 2 16 Li 0.95201699435756 0.58333333333333 0.48582583438354 6.941 > 2 17 Li 0.45201699435756 0.91666666666667 0.48582583438354 6.941 > 2 18 Li 0.95201699435756 0.91666666666667 0.48582583438354 6.941 > 2 19 Li 0.45201699435756 0.25000000000000 0.98582583438354 6.941 > 2 20 Li 0.95201699435756 0.25000000000000 0.98582583438354 6.941 > 2 21 Li 0.45201699435756 0.58333333333333 0.98582583438354 6.941 > 2 22 Li 0.95201699435756 0.58333333333333 0.98582583438354 6.941 > 2 23 Li 0.45201699435756 0.91666666666667 0.98582583438354 6.941 > 2 24 Li 0.95201699435756 0.91666666666667 0.98582583438354 6.941 > 2 25 Li 0.20201699435757 0.25000000000000 0.26417416561646 6.941 > 3 26 Li 0.70201699435757 0.25000000000000 0.26417416561646 6.941 > 3 27 Li 0.20201699435757 0.58333333333333 0.26417416561646 6.941 > 3 28 Li 0.70201699435757 0.58333333333333 0.26417416561646 6.941 > 3 29 Li 0.20201699435757 0.91666666666667 0.26417416561646 6.941 > 3 30 Li 0.70201699435757 0.91666666666667 0.26417416561646 6.941 > 3 31 Li 0.20201699435757 0.25000000000000 0.76417416561646 6.941 > 3 32 Li 0.70201699435757 0.25000000000000 0.76417416561646 6.941 > 3 33 Li 0.20201699435757 0.58333333333333 0.76417416561646 6.941 > 3 34 Li 0.70201699435757 0.58333333333333 0.76417416561646 6.941 > 3 35 Li 0.20201699435757 0.91666666666667 0.76417416561646 6.941 > 3 36 Li 0.70201699435757 0.91666666666667 0.76417416561646 6.941 > 3 37 Li 0.29798300564244 0.08333333333333 0.23582583438354 6.941 > 4 38 Li 0.79798300564244 0.08333333333333 0.23582583438354 6.941 > 4 39 Li 0.29798300564244 0.41666666666667 0.23582583438354 6.941 > 4 40 Li 0.79798300564244 0.41666666666667 0.23582583438354 6.941 > 4 41 Li 0.29798300564244 0.75000000000000 0.23582583438354 6.941 > 4 42 Li 0.79798300564244 0.75000000000000 0.23582583438354 6.941 > 4 43 Li 0.29798300564244 0.08333333333333 0.73582583438354 6.941 > 4 44 Li 0.79798300564244 0.08333333333333 0.73582583438354 6.941 > 4 45 Li 0.29798300564244 0.41666666666667 0.73582583438354 6.941 > 4 46 Li 0.79798300564244 0.41666666666667 0.73582583438354 6.941 > 4 47 Li 0.29798300564244 0.75000000000000 0.73582583438354 6.941 > 4 48 Li 0.79798300564244 0.75000000000000 0.73582583438354 6.941 > 4 *49 N 0.05972340404367 0.25000000000000 0.13406391350593 14.007 > 5 50 N 0.55972340404367 0.25000000000000 0.13406391350593 14.007 > 5 51 N 0.05972340404367 0.58333333333333 0.13406391350593 14.007 > 5 52 N 0.55972340404367 0.58333333333333 0.13406391350593 14.007 > 5 53 N 0.05972340404367 0.91666666666667 0.13406391350593 14.007 > 5 54 N 0.55972340404367 0.91666666666667 0.13406391350593 14.007 > 5 55 N 0.05972340404367 0.25000000000000 0.63406391350593 14.007 > 5 56 N 0.55972340404367 0.25000000000000 0.63406391350593 14.007 > 5 57 N 0.05972340404367 0.58333333333333 0.63406391350593 14.007 > 5 58 N 0.55972340404367 0.58333333333333 0.63406391350593 14.007 > 5 59 N 0.05972340404367 0.91666666666667 0.63406391350593 14.007 > 5 60 N 0.55972340404367 0.91666666666667 0.63406391350593 14.007 > 5 61 N 0.30972340404367 0.25000000000000 0.11593608649407 14.007 > 6 62 N 0.80972340404367 0.25000000000000 0.11593608649407 14.007 > 6 63 N 0.30972340404367 0.58333333333333 0.11593608649407 14.007 > 6 64 N 0.80972340404367 0.58333333333333 0.11593608649407 14.007 > 6 65 N 0.30972340404367 0.91666666666667 0.11593608649407 14.007 > 6 66 N 0.80972340404367 0.91666666666667 0.11593608649407 14.007 > 6 67 N 0.30972340404367 0.25000000000000 0.61593608649407 14.007 > 6 68 N 0.80972340404367 0.25000000000000 0.61593608649407 14.007 > 6 69 N 0.30972340404367 0.58333333333333 0.61593608649407 14.007 > 6 70 N 0.80972340404367 0.58333333333333 0.61593608649407 14.007 > 6 71 N 0.30972340404367 0.91666666666667 0.61593608649407 14.007 > 6 72 N 0.80972340404367 0.91666666666667 0.61593608649407 14.007 > 6 73 N 0.44027659595633 0.08333333333333 0.36593608649407 14.007 > 7 74 N 0.94027659595633 0.08333333333333 0.36593608649407 14.007 > 7 75 N 0.44027659595633 0.41666666666667 0.36593608649407 14.007 > 7 76 N 0.94027659595633 0.41666666666667 0.36593608649407 14.007 > 7 77 N 0.44027659595633 0.75000000000000 0.36593608649407 14.007 > 7 78 N 0.94027659595633 0.75000000000000 0.36593608649407 14.007 > 7 79 N 0.44027659595633 0.08333333333333 0.86593608649407 14.007 > 7 80 N 0.94027659595633 0.08333333333333 0.86593608649407 14.007 > 7 81 N 0.44027659595633 0.41666666666667 0.86593608649407 14.007 > 7 82 N 0.94027659595633 0.41666666666667 0.86593608649407 14.007 > 7 83 N 0.44027659595633 0.75000000000000 0.86593608649407 14.007 > 7 84 N 0.94027659595633 0.75000000000000 0.86593608649407 14.007 > 7 85 N 0.19027659595633 0.08333333333333 0.38406391350593 14.007 > 8 86 N 0.69027659595633 0.08333333333333 0.38406391350593 14.007 > 8 87 N 0.19027659595633 0.41666666666667 0.38406391350593 14.007 > 8 88 N 0.69027659595633 0.41666666666667 0.38406391350593 14.007 > 8 89 N 0.19027659595633 0.75000000000000 0.38406391350593 14.007 > 8 90 N 0.69027659595633 0.75000000000000 0.38406391350593 14.007 > 8 91 N 0.19027659595633 0.08333333333333 0.88406391350593 14.007 > 8 92 N 0.69027659595633 0.08333333333333 0.88406391350593 14.007 > 8 93 N 0.19027659595633 0.41666666666667 0.88406391350593 14.007 > 8 94 N 0.69027659595633 0.41666666666667 0.88406391350593 14.007 > 8 95 N 0.19027659595633 0.75000000000000 0.88406391350593 14.007 > 8 96 N 0.69027659595633 0.75000000000000 0.88406391350593 14.007 > 8 *97 Mg 0.32206796327348 0.08333333333333 0.48981366377249 24.305 > 9 98 Mg 0.82206796327348 0.08333333333333 0.48981366377249 24.305 > 9 99 Mg 0.32206796327348 0.41666666666667 0.48981366377249 24.305 > 9 100 Mg 0.82206796327348 0.41666666666667 0.48981366377249 24.305 > 9 101 Mg 0.32206796327348 0.75000000000000 0.48981366377249 24.305 > 9 102 Mg 0.82206796327348 0.75000000000000 0.48981366377249 24.305 > 9 103 Mg 0.32206796327348 0.08333333333333 0.98981366377249 24.305 > 9 104 Mg 0.82206796327348 0.08333333333333 0.98981366377249 24.305 > 9 105 Mg 0.32206796327348 0.41666666666667 0.98981366377249 24.305 > 9 106 Mg 0.82206796327348 0.41666666666667 0.98981366377249 24.305 > 9 107 Mg 0.32206796327348 0.75000000000000 0.98981366377249 24.305 > 9 108 Mg 0.82206796327348 0.75000000000000 0.98981366377249 24.305 > 9 109 Mg 0.42793203672652 0.25000000000000 0.23981366377249 24.305 > 10 110 Mg 0.92793203672652 0.25000000000000 0.23981366377249 24.305 > 10 111 Mg 0.42793203672652 0.58333333333333 0.23981366377249 24.305 > 10 112 Mg 0.92793203672652 0.58333333333333 0.23981366377249 24.305 > 10 113 Mg 0.42793203672652 0.91666666666667 0.23981366377249 24.305 > 10 114 Mg 0.92793203672652 0.91666666666667 0.23981366377249 24.305 > 10 115 Mg 0.42793203672652 0.25000000000000 0.73981366377249 24.305 > 10 116 Mg 0.92793203672652 0.25000000000000 0.73981366377249 24.305 > 10 117 Mg 0.42793203672652 0.58333333333333 0.73981366377249 24.305 > 10 118 Mg 0.92793203672652 0.58333333333333 0.73981366377249 24.305 > 10 119 Mg 0.42793203672652 0.91666666666667 0.73981366377249 24.305 > 10 120 Mg 0.92793203672652 0.91666666666667 0.73981366377249 24.305 > 10 121 Mg 0.07206796327348 0.08333333333333 0.26018633622751 24.305 > 11 122 Mg 0.57206796327348 0.08333333333333 0.26018633622751 24.305 > 11 123 Mg 0.07206796327348 0.41666666666667 0.26018633622751 24.305 > 11 124 Mg 0.57206796327348 0.41666666666667 0.26018633622751 24.305 > 11 125 Mg 0.07206796327348 0.75000000000000 0.26018633622751 24.305 > 11 126 Mg 0.57206796327348 0.75000000000000 0.26018633622751 24.305 > 11 127 Mg 0.07206796327348 0.08333333333333 0.76018633622751 24.305 > 11 128 Mg 0.57206796327348 0.08333333333333 0.76018633622751 24.305 > 11 129 Mg 0.07206796327348 0.41666666666667 0.76018633622751 24.305 > 11 130 Mg 0.57206796327348 0.41666666666667 0.76018633622751 24.305 > 11 131 Mg 0.07206796327348 0.75000000000000 0.76018633622751 24.305 > 11 132 Mg 0.57206796327348 0.75000000000000 0.76018633622751 24.305 > 11 133 Mg 0.17793203672652 0.25000000000000 0.01018633622751 24.305 > 12 134 Mg 0.67793203672652 0.25000000000000 0.01018633622751 24.305 > 12 135 Mg 0.17793203672652 0.58333333333333 0.01018633622751 24.305 > 12 136 Mg 0.67793203672652 0.58333333333333 0.01018633622751 24.305 > 12 137 Mg 0.17793203672652 0.91666666666667 0.01018633622751 24.305 > 12 138 Mg 0.67793203672652 0.91666666666667 0.01018633622751 24.305 > 12 139 Mg 0.17793203672652 0.25000000000000 0.51018633622751 24.305 > 12 140 Mg 0.67793203672652 0.25000000000000 0.51018633622751 24.305 > 12 141 Mg 0.17793203672652 0.58333333333333 0.51018633622751 24.305 > 12 142 Mg 0.67793203672652 0.58333333333333 0.51018633622751 24.305 > 12 143 Mg 0.17793203672652 0.91666666666667 0.51018633622751 24.305 > 12 144 Mg 0.67793203672652 0.91666666666667 0.51018633622751 24.305 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3462598 0.0000000 0.0000000 0.0000000 5.0433005 0.0000000 0.0000000 0.0000000 5.0816046 -------------------------- Born effective charges -------------------------- 1 Li 0.8299696 0.0000000 0.0061562 0.0000000 0.7847854 0.0000000 0.0242863 0.0000000 0.8458260 2 Li 0.8299696 0.0000000 0.0061562 0.0000000 0.7847854 0.0000000 0.0242863 0.0000000 0.8458260 3 Li 0.8299696 0.0000000 -0.0061562 0.0000000 0.7847854 0.0000000 -0.0242863 0.0000000 0.8458260 4 Li 0.8299696 0.0000000 -0.0061562 0.0000000 0.7847854 0.0000000 -0.0242863 0.0000000 0.8458260 5 N -2.5564488 0.0000000 0.1534700 0.0000000 -2.4871574 0.0000000 0.0702631 0.0000000 -2.4733285 6 N -2.5564488 0.0000000 -0.1534700 0.0000000 -2.4871574 0.0000000 -0.0702631 0.0000000 -2.4733285 7 N -2.5564488 0.0000000 0.1534700 0.0000000 -2.4871574 0.0000000 0.0702631 0.0000000 -2.4733285 8 N -2.5564488 0.0000000 -0.1534700 0.0000000 -2.4871574 0.0000000 -0.0702631 0.0000000 -2.4733285 9 Mg 1.7264792 0.0000000 0.0196101 0.0000000 1.7023720 0.0000000 -0.0920600 0.0000000 1.6275025 10 Mg 1.7264792 0.0000000 -0.0196101 0.0000000 1.7023720 0.0000000 0.0920600 0.0000000 1.6275025 11 Mg 1.7264792 0.0000000 -0.0196101 0.0000000 1.7023720 0.0000000 0.0920600 0.0000000 1.6275025 12 Mg 1.7264792 0.0000000 0.0196101 0.0000000 1.7023720 0.0000000 -0.0920600 0.0000000 1.6275025 ---------------------------------------------------------------------------- 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: 1.505 Solver_block: 200 / 240 - Time: 1.516 Solver_block: 240 / 240 - Time: 0.708 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.804 --------------------------------- 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:38:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:38:07]------------------------- 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 7.143630420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.476528289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.982673540000000 Atomic positions (fractional): 1 Li 0.09596601128487 0.25000000000000 0.02834833123292 6.941 2 Li 0.90403398871513 0.75000000000000 0.97165166876708 6.941 3 Li 0.40403398871513 0.75000000000000 0.52834833123292 6.941 4 Li 0.59596601128487 0.25000000000000 0.47165166876708 6.941 5 N 0.11944680808735 0.75000000000000 0.26812782701185 14.007 6 N 0.61944680808735 0.75000000000000 0.23187217298815 14.007 7 N 0.88055319191265 0.25000000000000 0.73187217298815 14.007 8 N 0.38055319191265 0.25000000000000 0.76812782701185 14.007 9 Mg 0.64413592654696 0.25000000000000 0.97962732754497 24.305 10 Mg 0.85586407345304 0.75000000000000 0.47962732754497 24.305 11 Mg 0.14413592654696 0.25000000000000 0.52037267245503 24.305 12 Mg 0.35586407345304 0.75000000000000 0.02037267245503 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.287260840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.429584869999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.965347080000001 Atomic positions (fractional): 1 Li 0.04798300564244 0.08333333333333 0.01417416561646 6.941 > 1 2 Li 0.54798300564243 0.08333333333333 0.01417416561646 6.941 > 1 3 Li 0.04798300564244 0.41666666666667 0.01417416561646 6.941 > 1 4 Li 0.54798300564243 0.41666666666667 0.01417416561646 6.941 > 1 5 Li 0.04798300564244 0.75000000000000 0.01417416561646 6.941 > 1 6 Li 0.54798300564243 0.75000000000000 0.01417416561646 6.941 > 1 7 Li 0.04798300564244 0.08333333333333 0.51417416561646 6.941 > 1 8 Li 0.54798300564243 0.08333333333333 0.51417416561646 6.941 > 1 9 Li 0.04798300564244 0.41666666666667 0.51417416561646 6.941 > 1 10 Li 0.54798300564243 0.41666666666667 0.51417416561646 6.941 > 1 11 Li 0.04798300564244 0.75000000000000 0.51417416561646 6.941 > 1 12 Li 0.54798300564243 0.75000000000000 0.51417416561646 6.941 > 1 13 Li 0.45201699435756 0.25000000000000 0.48582583438354 6.941 > 13 14 Li 0.95201699435756 0.25000000000000 0.48582583438354 6.941 > 13 15 Li 0.45201699435756 0.58333333333333 0.48582583438354 6.941 > 13 16 Li 0.95201699435756 0.58333333333333 0.48582583438354 6.941 > 13 17 Li 0.45201699435756 0.91666666666667 0.48582583438354 6.941 > 13 18 Li 0.95201699435756 0.91666666666667 0.48582583438354 6.941 > 13 19 Li 0.45201699435756 0.25000000000000 0.98582583438354 6.941 > 13 20 Li 0.95201699435756 0.25000000000000 0.98582583438354 6.941 > 13 21 Li 0.45201699435756 0.58333333333333 0.98582583438354 6.941 > 13 22 Li 0.95201699435756 0.58333333333333 0.98582583438354 6.941 > 13 23 Li 0.45201699435756 0.91666666666667 0.98582583438354 6.941 > 13 24 Li 0.95201699435756 0.91666666666667 0.98582583438354 6.941 > 13 25 Li 0.20201699435757 0.25000000000000 0.26417416561646 6.941 > 25 26 Li 0.70201699435757 0.25000000000000 0.26417416561646 6.941 > 25 27 Li 0.20201699435757 0.58333333333333 0.26417416561646 6.941 > 25 28 Li 0.70201699435757 0.58333333333333 0.26417416561646 6.941 > 25 29 Li 0.20201699435757 0.91666666666667 0.26417416561646 6.941 > 25 30 Li 0.70201699435757 0.91666666666667 0.26417416561646 6.941 > 25 31 Li 0.20201699435757 0.25000000000000 0.76417416561646 6.941 > 25 32 Li 0.70201699435757 0.25000000000000 0.76417416561646 6.941 > 25 33 Li 0.20201699435757 0.58333333333333 0.76417416561646 6.941 > 25 34 Li 0.70201699435757 0.58333333333333 0.76417416561646 6.941 > 25 35 Li 0.20201699435757 0.91666666666667 0.76417416561646 6.941 > 25 36 Li 0.70201699435757 0.91666666666667 0.76417416561646 6.941 > 25 37 Li 0.29798300564244 0.08333333333333 0.23582583438354 6.941 > 37 38 Li 0.79798300564244 0.08333333333333 0.23582583438354 6.941 > 37 39 Li 0.29798300564244 0.41666666666667 0.23582583438354 6.941 > 37 40 Li 0.79798300564244 0.41666666666667 0.23582583438354 6.941 > 37 41 Li 0.29798300564244 0.75000000000000 0.23582583438354 6.941 > 37 42 Li 0.79798300564244 0.75000000000000 0.23582583438354 6.941 > 37 43 Li 0.29798300564244 0.08333333333333 0.73582583438354 6.941 > 37 44 Li 0.79798300564244 0.08333333333333 0.73582583438354 6.941 > 37 45 Li 0.29798300564244 0.41666666666667 0.73582583438354 6.941 > 37 46 Li 0.79798300564244 0.41666666666667 0.73582583438354 6.941 > 37 47 Li 0.29798300564244 0.75000000000000 0.73582583438354 6.941 > 37 48 Li 0.79798300564244 0.75000000000000 0.73582583438354 6.941 > 37 49 N 0.05972340404367 0.25000000000000 0.13406391350593 14.007 > 49 50 N 0.55972340404367 0.25000000000000 0.13406391350593 14.007 > 49 51 N 0.05972340404367 0.58333333333333 0.13406391350593 14.007 > 49 52 N 0.55972340404367 0.58333333333333 0.13406391350593 14.007 > 49 53 N 0.05972340404367 0.91666666666667 0.13406391350593 14.007 > 49 54 N 0.55972340404367 0.91666666666667 0.13406391350593 14.007 > 49 55 N 0.05972340404367 0.25000000000000 0.63406391350593 14.007 > 49 56 N 0.55972340404367 0.25000000000000 0.63406391350593 14.007 > 49 57 N 0.05972340404367 0.58333333333333 0.63406391350593 14.007 > 49 58 N 0.55972340404367 0.58333333333333 0.63406391350593 14.007 > 49 59 N 0.05972340404367 0.91666666666667 0.63406391350593 14.007 > 49 60 N 0.55972340404367 0.91666666666667 0.63406391350593 14.007 > 49 61 N 0.30972340404367 0.25000000000000 0.11593608649407 14.007 > 61 62 N 0.80972340404367 0.25000000000000 0.11593608649407 14.007 > 61 63 N 0.30972340404367 0.58333333333333 0.11593608649407 14.007 > 61 64 N 0.80972340404367 0.58333333333333 0.11593608649407 14.007 > 61 65 N 0.30972340404367 0.91666666666667 0.11593608649407 14.007 > 61 66 N 0.80972340404367 0.91666666666667 0.11593608649407 14.007 > 61 67 N 0.30972340404367 0.25000000000000 0.61593608649407 14.007 > 61 68 N 0.80972340404367 0.25000000000000 0.61593608649407 14.007 > 61 69 N 0.30972340404367 0.58333333333333 0.61593608649407 14.007 > 61 70 N 0.80972340404367 0.58333333333333 0.61593608649407 14.007 > 61 71 N 0.30972340404367 0.91666666666667 0.61593608649407 14.007 > 61 72 N 0.80972340404367 0.91666666666667 0.61593608649407 14.007 > 61 73 N 0.44027659595633 0.08333333333333 0.36593608649407 14.007 > 73 74 N 0.94027659595633 0.08333333333333 0.36593608649407 14.007 > 73 75 N 0.44027659595633 0.41666666666667 0.36593608649407 14.007 > 73 76 N 0.94027659595633 0.41666666666667 0.36593608649407 14.007 > 73 77 N 0.44027659595633 0.75000000000000 0.36593608649407 14.007 > 73 78 N 0.94027659595633 0.75000000000000 0.36593608649407 14.007 > 73 79 N 0.44027659595633 0.08333333333333 0.86593608649407 14.007 > 73 80 N 0.94027659595633 0.08333333333333 0.86593608649407 14.007 > 73 81 N 0.44027659595633 0.41666666666667 0.86593608649407 14.007 > 73 82 N 0.94027659595633 0.41666666666667 0.86593608649407 14.007 > 73 83 N 0.44027659595633 0.75000000000000 0.86593608649407 14.007 > 73 84 N 0.94027659595633 0.75000000000000 0.86593608649407 14.007 > 73 85 N 0.19027659595633 0.08333333333333 0.38406391350593 14.007 > 85 86 N 0.69027659595633 0.08333333333333 0.38406391350593 14.007 > 85 87 N 0.19027659595633 0.41666666666667 0.38406391350593 14.007 > 85 88 N 0.69027659595633 0.41666666666667 0.38406391350593 14.007 > 85 89 N 0.19027659595633 0.75000000000000 0.38406391350593 14.007 > 85 90 N 0.69027659595633 0.75000000000000 0.38406391350593 14.007 > 85 91 N 0.19027659595633 0.08333333333333 0.88406391350593 14.007 > 85 92 N 0.69027659595633 0.08333333333333 0.88406391350593 14.007 > 85 93 N 0.19027659595633 0.41666666666667 0.88406391350593 14.007 > 85 94 N 0.69027659595633 0.41666666666667 0.88406391350593 14.007 > 85 95 N 0.19027659595633 0.75000000000000 0.88406391350593 14.007 > 85 96 N 0.69027659595633 0.75000000000000 0.88406391350593 14.007 > 85 97 Mg 0.32206796327348 0.08333333333333 0.48981366377249 24.305 > 97 98 Mg 0.82206796327348 0.08333333333333 0.48981366377249 24.305 > 97 99 Mg 0.32206796327348 0.41666666666667 0.48981366377249 24.305 > 97 100 Mg 0.82206796327348 0.41666666666667 0.48981366377249 24.305 > 97 101 Mg 0.32206796327348 0.75000000000000 0.48981366377249 24.305 > 97 102 Mg 0.82206796327348 0.75000000000000 0.48981366377249 24.305 > 97 103 Mg 0.32206796327348 0.08333333333333 0.98981366377249 24.305 > 97 104 Mg 0.82206796327348 0.08333333333333 0.98981366377249 24.305 > 97 105 Mg 0.32206796327348 0.41666666666667 0.98981366377249 24.305 > 97 106 Mg 0.82206796327348 0.41666666666667 0.98981366377249 24.305 > 97 107 Mg 0.32206796327348 0.75000000000000 0.98981366377249 24.305 > 97 108 Mg 0.82206796327348 0.75000000000000 0.98981366377249 24.305 > 97 109 Mg 0.42793203672652 0.25000000000000 0.23981366377249 24.305 > 109 110 Mg 0.92793203672652 0.25000000000000 0.23981366377249 24.305 > 109 111 Mg 0.42793203672652 0.58333333333333 0.23981366377249 24.305 > 109 112 Mg 0.92793203672652 0.58333333333333 0.23981366377249 24.305 > 109 113 Mg 0.42793203672652 0.91666666666667 0.23981366377249 24.305 > 109 114 Mg 0.92793203672652 0.91666666666667 0.23981366377249 24.305 > 109 115 Mg 0.42793203672652 0.25000000000000 0.73981366377249 24.305 > 109 116 Mg 0.92793203672652 0.25000000000000 0.73981366377249 24.305 > 109 117 Mg 0.42793203672652 0.58333333333333 0.73981366377249 24.305 > 109 118 Mg 0.92793203672652 0.58333333333333 0.73981366377249 24.305 > 109 119 Mg 0.42793203672652 0.91666666666667 0.73981366377249 24.305 > 109 120 Mg 0.92793203672652 0.91666666666667 0.73981366377249 24.305 > 109 121 Mg 0.07206796327348 0.08333333333333 0.26018633622751 24.305 > 121 122 Mg 0.57206796327348 0.08333333333333 0.26018633622751 24.305 > 121 123 Mg 0.07206796327348 0.41666666666667 0.26018633622751 24.305 > 121 124 Mg 0.57206796327348 0.41666666666667 0.26018633622751 24.305 > 121 125 Mg 0.07206796327348 0.75000000000000 0.26018633622751 24.305 > 121 126 Mg 0.57206796327348 0.75000000000000 0.26018633622751 24.305 > 121 127 Mg 0.07206796327348 0.08333333333333 0.76018633622751 24.305 > 121 128 Mg 0.57206796327348 0.08333333333333 0.76018633622751 24.305 > 121 129 Mg 0.07206796327348 0.41666666666667 0.76018633622751 24.305 > 121 130 Mg 0.57206796327348 0.41666666666667 0.76018633622751 24.305 > 121 131 Mg 0.07206796327348 0.75000000000000 0.76018633622751 24.305 > 121 132 Mg 0.57206796327348 0.75000000000000 0.76018633622751 24.305 > 121 133 Mg 0.17793203672652 0.25000000000000 0.01018633622751 24.305 > 133 134 Mg 0.67793203672652 0.25000000000000 0.01018633622751 24.305 > 133 135 Mg 0.17793203672652 0.58333333333333 0.01018633622751 24.305 > 133 136 Mg 0.67793203672652 0.58333333333333 0.01018633622751 24.305 > 133 137 Mg 0.17793203672652 0.91666666666667 0.01018633622751 24.305 > 133 138 Mg 0.67793203672652 0.91666666666667 0.01018633622751 24.305 > 133 139 Mg 0.17793203672652 0.25000000000000 0.51018633622751 24.305 > 133 140 Mg 0.67793203672652 0.25000000000000 0.51018633622751 24.305 > 133 141 Mg 0.17793203672652 0.58333333333333 0.51018633622751 24.305 > 133 142 Mg 0.67793203672652 0.58333333333333 0.51018633622751 24.305 > 133 143 Mg 0.17793203672652 0.91666666666667 0.51018633622751 24.305 > 133 144 Mg 0.67793203672652 0.91666666666667 0.51018633622751 24.305 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3462598 0.0000000 0.0000000 0.0000000 5.0433005 0.0000000 0.0000000 0.0000000 5.0816046 -------------------------- Born effective charges -------------------------- 1 Li 0.8299696 0.0000000 0.0061562 0.0000000 0.7847854 0.0000000 0.0242863 0.0000000 0.8458260 2 Li 0.8299696 0.0000000 0.0061562 0.0000000 0.7847854 0.0000000 0.0242863 0.0000000 0.8458260 3 Li 0.8299696 0.0000000 -0.0061562 0.0000000 0.7847854 0.0000000 -0.0242863 0.0000000 0.8458260 4 Li 0.8299696 0.0000000 -0.0061562 0.0000000 0.7847854 0.0000000 -0.0242863 0.0000000 0.8458260 5 N -2.5564488 0.0000000 0.1534700 0.0000000 -2.4871574 0.0000000 0.0702631 0.0000000 -2.4733285 6 N -2.5564488 0.0000000 -0.1534700 0.0000000 -2.4871574 0.0000000 -0.0702631 0.0000000 -2.4733285 7 N -2.5564488 0.0000000 0.1534700 0.0000000 -2.4871574 0.0000000 0.0702631 0.0000000 -2.4733285 8 N -2.5564488 0.0000000 -0.1534700 0.0000000 -2.4871574 0.0000000 -0.0702631 0.0000000 -2.4733285 9 Mg 1.7264792 0.0000000 0.0196101 0.0000000 1.7023720 0.0000000 -0.0920600 0.0000000 1.6275025 10 Mg 1.7264792 0.0000000 -0.0196101 0.0000000 1.7023720 0.0000000 0.0920600 0.0000000 1.6275025 11 Mg 1.7264792 0.0000000 -0.0196101 0.0000000 1.7023720 0.0000000 0.0920600 0.0000000 1.6275025 12 Mg 1.7264792 0.0000000 0.0196101 0.0000000 1.7023720 0.0000000 -0.0920600 0.0000000 1.6275025 ---------------------------------------------------------------------------- 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 08:38:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:38:24]------------------------- 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 7.143630420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.476528289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.982673540000000 Atomic positions (fractional): 1 Li 0.09596601128487 0.25000000000000 0.02834833123292 6.941 2 Li 0.90403398871513 0.75000000000000 0.97165166876708 6.941 3 Li 0.40403398871513 0.75000000000000 0.52834833123292 6.941 4 Li 0.59596601128487 0.25000000000000 0.47165166876708 6.941 5 N 0.11944680808735 0.75000000000000 0.26812782701185 14.007 6 N 0.61944680808735 0.75000000000000 0.23187217298815 14.007 7 N 0.88055319191265 0.25000000000000 0.73187217298815 14.007 8 N 0.38055319191265 0.25000000000000 0.76812782701185 14.007 9 Mg 0.64413592654696 0.25000000000000 0.97962732754497 24.305 10 Mg 0.85586407345304 0.75000000000000 0.47962732754497 24.305 11 Mg 0.14413592654696 0.25000000000000 0.52037267245503 24.305 12 Mg 0.35586407345304 0.75000000000000 0.02037267245503 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.287260840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.429584869999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.965347080000001 Atomic positions (fractional): 1 Li 0.04798300564244 0.08333333333333 0.01417416561646 6.941 > 1 2 Li 0.54798300564243 0.08333333333333 0.01417416561646 6.941 > 1 3 Li 0.04798300564244 0.41666666666667 0.01417416561646 6.941 > 1 4 Li 0.54798300564243 0.41666666666667 0.01417416561646 6.941 > 1 5 Li 0.04798300564244 0.75000000000000 0.01417416561646 6.941 > 1 6 Li 0.54798300564243 0.75000000000000 0.01417416561646 6.941 > 1 7 Li 0.04798300564244 0.08333333333333 0.51417416561646 6.941 > 1 8 Li 0.54798300564243 0.08333333333333 0.51417416561646 6.941 > 1 9 Li 0.04798300564244 0.41666666666667 0.51417416561646 6.941 > 1 10 Li 0.54798300564243 0.41666666666667 0.51417416561646 6.941 > 1 11 Li 0.04798300564244 0.75000000000000 0.51417416561646 6.941 > 1 12 Li 0.54798300564243 0.75000000000000 0.51417416561646 6.941 > 1 13 Li 0.45201699435756 0.25000000000000 0.48582583438354 6.941 > 13 14 Li 0.95201699435756 0.25000000000000 0.48582583438354 6.941 > 13 15 Li 0.45201699435756 0.58333333333333 0.48582583438354 6.941 > 13 16 Li 0.95201699435756 0.58333333333333 0.48582583438354 6.941 > 13 17 Li 0.45201699435756 0.91666666666667 0.48582583438354 6.941 > 13 18 Li 0.95201699435756 0.91666666666667 0.48582583438354 6.941 > 13 19 Li 0.45201699435756 0.25000000000000 0.98582583438354 6.941 > 13 20 Li 0.95201699435756 0.25000000000000 0.98582583438354 6.941 > 13 21 Li 0.45201699435756 0.58333333333333 0.98582583438354 6.941 > 13 22 Li 0.95201699435756 0.58333333333333 0.98582583438354 6.941 > 13 23 Li 0.45201699435756 0.91666666666667 0.98582583438354 6.941 > 13 24 Li 0.95201699435756 0.91666666666667 0.98582583438354 6.941 > 13 25 Li 0.20201699435757 0.25000000000000 0.26417416561646 6.941 > 25 26 Li 0.70201699435757 0.25000000000000 0.26417416561646 6.941 > 25 27 Li 0.20201699435757 0.58333333333333 0.26417416561646 6.941 > 25 28 Li 0.70201699435757 0.58333333333333 0.26417416561646 6.941 > 25 29 Li 0.20201699435757 0.91666666666667 0.26417416561646 6.941 > 25 30 Li 0.70201699435757 0.91666666666667 0.26417416561646 6.941 > 25 31 Li 0.20201699435757 0.25000000000000 0.76417416561646 6.941 > 25 32 Li 0.70201699435757 0.25000000000000 0.76417416561646 6.941 > 25 33 Li 0.20201699435757 0.58333333333333 0.76417416561646 6.941 > 25 34 Li 0.70201699435757 0.58333333333333 0.76417416561646 6.941 > 25 35 Li 0.20201699435757 0.91666666666667 0.76417416561646 6.941 > 25 36 Li 0.70201699435757 0.91666666666667 0.76417416561646 6.941 > 25 37 Li 0.29798300564244 0.08333333333333 0.23582583438354 6.941 > 37 38 Li 0.79798300564244 0.08333333333333 0.23582583438354 6.941 > 37 39 Li 0.29798300564244 0.41666666666667 0.23582583438354 6.941 > 37 40 Li 0.79798300564244 0.41666666666667 0.23582583438354 6.941 > 37 41 Li 0.29798300564244 0.75000000000000 0.23582583438354 6.941 > 37 42 Li 0.79798300564244 0.75000000000000 0.23582583438354 6.941 > 37 43 Li 0.29798300564244 0.08333333333333 0.73582583438354 6.941 > 37 44 Li 0.79798300564244 0.08333333333333 0.73582583438354 6.941 > 37 45 Li 0.29798300564244 0.41666666666667 0.73582583438354 6.941 > 37 46 Li 0.79798300564244 0.41666666666667 0.73582583438354 6.941 > 37 47 Li 0.29798300564244 0.75000000000000 0.73582583438354 6.941 > 37 48 Li 0.79798300564244 0.75000000000000 0.73582583438354 6.941 > 37 49 N 0.05972340404367 0.25000000000000 0.13406391350593 14.007 > 49 50 N 0.55972340404367 0.25000000000000 0.13406391350593 14.007 > 49 51 N 0.05972340404367 0.58333333333333 0.13406391350593 14.007 > 49 52 N 0.55972340404367 0.58333333333333 0.13406391350593 14.007 > 49 53 N 0.05972340404367 0.91666666666667 0.13406391350593 14.007 > 49 54 N 0.55972340404367 0.91666666666667 0.13406391350593 14.007 > 49 55 N 0.05972340404367 0.25000000000000 0.63406391350593 14.007 > 49 56 N 0.55972340404367 0.25000000000000 0.63406391350593 14.007 > 49 57 N 0.05972340404367 0.58333333333333 0.63406391350593 14.007 > 49 58 N 0.55972340404367 0.58333333333333 0.63406391350593 14.007 > 49 59 N 0.05972340404367 0.91666666666667 0.63406391350593 14.007 > 49 60 N 0.55972340404367 0.91666666666667 0.63406391350593 14.007 > 49 61 N 0.30972340404367 0.25000000000000 0.11593608649407 14.007 > 61 62 N 0.80972340404367 0.25000000000000 0.11593608649407 14.007 > 61 63 N 0.30972340404367 0.58333333333333 0.11593608649407 14.007 > 61 64 N 0.80972340404367 0.58333333333333 0.11593608649407 14.007 > 61 65 N 0.30972340404367 0.91666666666667 0.11593608649407 14.007 > 61 66 N 0.80972340404367 0.91666666666667 0.11593608649407 14.007 > 61 67 N 0.30972340404367 0.25000000000000 0.61593608649407 14.007 > 61 68 N 0.80972340404367 0.25000000000000 0.61593608649407 14.007 > 61 69 N 0.30972340404367 0.58333333333333 0.61593608649407 14.007 > 61 70 N 0.80972340404367 0.58333333333333 0.61593608649407 14.007 > 61 71 N 0.30972340404367 0.91666666666667 0.61593608649407 14.007 > 61 72 N 0.80972340404367 0.91666666666667 0.61593608649407 14.007 > 61 73 N 0.44027659595633 0.08333333333333 0.36593608649407 14.007 > 73 74 N 0.94027659595633 0.08333333333333 0.36593608649407 14.007 > 73 75 N 0.44027659595633 0.41666666666667 0.36593608649407 14.007 > 73 76 N 0.94027659595633 0.41666666666667 0.36593608649407 14.007 > 73 77 N 0.44027659595633 0.75000000000000 0.36593608649407 14.007 > 73 78 N 0.94027659595633 0.75000000000000 0.36593608649407 14.007 > 73 79 N 0.44027659595633 0.08333333333333 0.86593608649407 14.007 > 73 80 N 0.94027659595633 0.08333333333333 0.86593608649407 14.007 > 73 81 N 0.44027659595633 0.41666666666667 0.86593608649407 14.007 > 73 82 N 0.94027659595633 0.41666666666667 0.86593608649407 14.007 > 73 83 N 0.44027659595633 0.75000000000000 0.86593608649407 14.007 > 73 84 N 0.94027659595633 0.75000000000000 0.86593608649407 14.007 > 73 85 N 0.19027659595633 0.08333333333333 0.38406391350593 14.007 > 85 86 N 0.69027659595633 0.08333333333333 0.38406391350593 14.007 > 85 87 N 0.19027659595633 0.41666666666667 0.38406391350593 14.007 > 85 88 N 0.69027659595633 0.41666666666667 0.38406391350593 14.007 > 85 89 N 0.19027659595633 0.75000000000000 0.38406391350593 14.007 > 85 90 N 0.69027659595633 0.75000000000000 0.38406391350593 14.007 > 85 91 N 0.19027659595633 0.08333333333333 0.88406391350593 14.007 > 85 92 N 0.69027659595633 0.08333333333333 0.88406391350593 14.007 > 85 93 N 0.19027659595633 0.41666666666667 0.88406391350593 14.007 > 85 94 N 0.69027659595633 0.41666666666667 0.88406391350593 14.007 > 85 95 N 0.19027659595633 0.75000000000000 0.88406391350593 14.007 > 85 96 N 0.69027659595633 0.75000000000000 0.88406391350593 14.007 > 85 97 Mg 0.32206796327348 0.08333333333333 0.48981366377249 24.305 > 97 98 Mg 0.82206796327348 0.08333333333333 0.48981366377249 24.305 > 97 99 Mg 0.32206796327348 0.41666666666667 0.48981366377249 24.305 > 97 100 Mg 0.82206796327348 0.41666666666667 0.48981366377249 24.305 > 97 101 Mg 0.32206796327348 0.75000000000000 0.48981366377249 24.305 > 97 102 Mg 0.82206796327348 0.75000000000000 0.48981366377249 24.305 > 97 103 Mg 0.32206796327348 0.08333333333333 0.98981366377249 24.305 > 97 104 Mg 0.82206796327348 0.08333333333333 0.98981366377249 24.305 > 97 105 Mg 0.32206796327348 0.41666666666667 0.98981366377249 24.305 > 97 106 Mg 0.82206796327348 0.41666666666667 0.98981366377249 24.305 > 97 107 Mg 0.32206796327348 0.75000000000000 0.98981366377249 24.305 > 97 108 Mg 0.82206796327348 0.75000000000000 0.98981366377249 24.305 > 97 109 Mg 0.42793203672652 0.25000000000000 0.23981366377249 24.305 > 109 110 Mg 0.92793203672652 0.25000000000000 0.23981366377249 24.305 > 109 111 Mg 0.42793203672652 0.58333333333333 0.23981366377249 24.305 > 109 112 Mg 0.92793203672652 0.58333333333333 0.23981366377249 24.305 > 109 113 Mg 0.42793203672652 0.91666666666667 0.23981366377249 24.305 > 109 114 Mg 0.92793203672652 0.91666666666667 0.23981366377249 24.305 > 109 115 Mg 0.42793203672652 0.25000000000000 0.73981366377249 24.305 > 109 116 Mg 0.92793203672652 0.25000000000000 0.73981366377249 24.305 > 109 117 Mg 0.42793203672652 0.58333333333333 0.73981366377249 24.305 > 109 118 Mg 0.92793203672652 0.58333333333333 0.73981366377249 24.305 > 109 119 Mg 0.42793203672652 0.91666666666667 0.73981366377249 24.305 > 109 120 Mg 0.92793203672652 0.91666666666667 0.73981366377249 24.305 > 109 121 Mg 0.07206796327348 0.08333333333333 0.26018633622751 24.305 > 121 122 Mg 0.57206796327348 0.08333333333333 0.26018633622751 24.305 > 121 123 Mg 0.07206796327348 0.41666666666667 0.26018633622751 24.305 > 121 124 Mg 0.57206796327348 0.41666666666667 0.26018633622751 24.305 > 121 125 Mg 0.07206796327348 0.75000000000000 0.26018633622751 24.305 > 121 126 Mg 0.57206796327348 0.75000000000000 0.26018633622751 24.305 > 121 127 Mg 0.07206796327348 0.08333333333333 0.76018633622751 24.305 > 121 128 Mg 0.57206796327348 0.08333333333333 0.76018633622751 24.305 > 121 129 Mg 0.07206796327348 0.41666666666667 0.76018633622751 24.305 > 121 130 Mg 0.57206796327348 0.41666666666667 0.76018633622751 24.305 > 121 131 Mg 0.07206796327348 0.75000000000000 0.76018633622751 24.305 > 121 132 Mg 0.57206796327348 0.75000000000000 0.76018633622751 24.305 > 121 133 Mg 0.17793203672652 0.25000000000000 0.01018633622751 24.305 > 133 134 Mg 0.67793203672652 0.25000000000000 0.01018633622751 24.305 > 133 135 Mg 0.17793203672652 0.58333333333333 0.01018633622751 24.305 > 133 136 Mg 0.67793203672652 0.58333333333333 0.01018633622751 24.305 > 133 137 Mg 0.17793203672652 0.91666666666667 0.01018633622751 24.305 > 133 138 Mg 0.67793203672652 0.91666666666667 0.01018633622751 24.305 > 133 139 Mg 0.17793203672652 0.25000000000000 0.51018633622751 24.305 > 133 140 Mg 0.67793203672652 0.25000000000000 0.51018633622751 24.305 > 133 141 Mg 0.17793203672652 0.58333333333333 0.51018633622751 24.305 > 133 142 Mg 0.67793203672652 0.58333333333333 0.51018633622751 24.305 > 133 143 Mg 0.17793203672652 0.91666666666667 0.51018633622751 24.305 > 133 144 Mg 0.67793203672652 0.91666666666667 0.51018633622751 24.305 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3462598 0.0000000 0.0000000 0.0000000 5.0433005 0.0000000 0.0000000 0.0000000 5.0816046 -------------------------- Born effective charges -------------------------- 1 Li 0.8299696 0.0000000 0.0061562 0.0000000 0.7847854 0.0000000 0.0242863 0.0000000 0.8458260 2 Li 0.8299696 0.0000000 0.0061562 0.0000000 0.7847854 0.0000000 0.0242863 0.0000000 0.8458260 3 Li 0.8299696 0.0000000 -0.0061562 0.0000000 0.7847854 0.0000000 -0.0242863 0.0000000 0.8458260 4 Li 0.8299696 0.0000000 -0.0061562 0.0000000 0.7847854 0.0000000 -0.0242863 0.0000000 0.8458260 5 N -2.5564488 0.0000000 0.1534700 0.0000000 -2.4871574 0.0000000 0.0702631 0.0000000 -2.4733285 6 N -2.5564488 0.0000000 -0.1534700 0.0000000 -2.4871574 0.0000000 -0.0702631 0.0000000 -2.4733285 7 N -2.5564488 0.0000000 0.1534700 0.0000000 -2.4871574 0.0000000 0.0702631 0.0000000 -2.4733285 8 N -2.5564488 0.0000000 -0.1534700 0.0000000 -2.4871574 0.0000000 -0.0702631 0.0000000 -2.4733285 9 Mg 1.7264792 0.0000000 0.0196101 0.0000000 1.7023720 0.0000000 -0.0920600 0.0000000 1.6275025 10 Mg 1.7264792 0.0000000 -0.0196101 0.0000000 1.7023720 0.0000000 0.0920600 0.0000000 1.6275025 11 Mg 1.7264792 0.0000000 -0.0196101 0.0000000 1.7023720 0.0000000 0.0920600 0.0000000 1.6275025 12 Mg 1.7264792 0.0000000 0.0196101 0.0000000 1.7023720 0.0000000 -0.0920600 0.0000000 1.6275025 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 14 10 ] 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: 0.83, Number of G-points: 295, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 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 4.986 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.832 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.676 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 13.824 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 15.447 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.899 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.579 ( 0.000 0.000 0.000) 0.000 16.853 ( 0.000 0.000 0.000) 0.000 17.048 ( 0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 18.331 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 53.706 0.000 0.000) 53.706 1.393 ( 69.142 0.000 0.000) 69.142 1.801 ( 88.351 0.000 0.000) 88.351 5.118 ( 2.277 0.000 0.000) 2.277 5.195 ( -16.201 0.000 0.000) 16.201 5.680 ( 0.665 0.000 0.000) 0.665 5.966 ( 12.411 0.000 0.000) 12.411 6.197 ( -2.197 0.000 0.000) 2.197 8.093 ( -9.911 0.000 0.000) 9.911 8.196 ( -26.730 0.000 0.000) 26.730 9.290 ( -41.190 0.000 0.000) 41.190 9.318 ( -20.094 0.000 0.000) 20.094 10.259 ( 23.414 0.000 0.000) 23.414 10.960 ( 10.331 0.000 0.000) 10.331 11.094 ( 15.568 0.000 0.000) 15.568 11.529 ( -2.925 0.000 0.000) 2.925 11.931 ( 9.670 0.000 0.000) 9.670 12.882 ( -6.731 0.000 0.000) 6.731 13.062 ( 0.718 0.000 0.000) 0.718 13.222 ( -1.208 0.000 0.000) 1.208 13.477 ( 2.282 0.000 0.000) 2.282 13.685 ( 0.807 0.000 0.000) 0.807 13.808 ( 8.278 0.000 0.000) 8.278 13.820 ( -0.418 0.000 0.000) 0.418 14.020 ( -0.874 0.000 0.000) 0.874 14.447 ( 4.158 0.000 0.000) 4.158 15.715 ( 1.379 0.000 0.000) 1.379 15.790 ( -6.673 0.000 0.000) 6.673 16.291 ( 13.340 0.000 0.000) 13.340 16.566 ( -1.085 0.000 0.000) 1.085 16.857 ( 0.475 0.000 0.000) 0.475 17.034 ( -1.345 0.000 0.000) 1.345 17.667 ( -18.194 0.000 0.000) 18.194 18.159 ( -8.112 0.000 0.000) 8.112 18.599 ( 18.473 0.000 0.000) 18.473 19.653 ( -1.709 0.000 0.000) 1.709 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 50.872 0.000 0.000) 50.872 2.754 ( 66.733 0.000 0.000) 66.733 3.469 ( 74.081 0.000 0.000) 74.081 4.783 ( -21.722 0.000 0.000) 21.722 5.180 ( 3.561 0.000 0.000) 3.561 5.686 ( 0.996 0.000 0.000) 0.996 5.969 ( -24.831 0.000 0.000) 24.831 6.309 ( 21.003 0.000 0.000) 21.003 7.780 ( -9.056 0.000 0.000) 9.056 7.801 ( -18.860 0.000 0.000) 18.860 8.292 ( -56.700 0.000 0.000) 56.700 8.835 ( -26.532 0.000 0.000) 26.532 10.725 ( 21.217 0.000 0.000) 21.217 11.151 ( 7.202 0.000 0.000) 7.202 11.360 ( 10.241 0.000 0.000) 10.241 11.508 ( 0.616 0.000 0.000) 0.616 12.132 ( 9.985 0.000 0.000) 9.985 12.716 ( -9.357 0.000 0.000) 9.357 13.082 ( 1.269 0.000 0.000) 1.269 13.190 ( -1.957 0.000 0.000) 1.957 13.552 ( 5.121 0.000 0.000) 5.121 13.708 ( 1.499 0.000 0.000) 1.499 13.806 ( -1.041 0.000 0.000) 1.041 13.955 ( -5.431 0.000 0.000) 5.431 14.030 ( 13.207 0.000 0.000) 13.207 14.535 ( 2.882 0.000 0.000) 2.882 15.692 ( -2.630 0.000 0.000) 2.630 15.744 ( 0.992 0.000 0.000) 0.992 16.550 ( 0.042 0.000 0.000) 0.042 16.572 ( 12.963 0.000 0.000) 12.963 16.873 ( 1.160 0.000 0.000) 1.160 16.998 ( -2.250 0.000 0.000) 2.250 17.339 ( -12.419 0.000 0.000) 12.419 17.929 ( -14.538 0.000 0.000) 14.538 18.960 ( 16.891 0.000 0.000) 16.891 19.594 ( -4.349 0.000 0.000) 4.349 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 45.370 0.000 0.000) 45.370 3.902 ( -30.801 0.000 0.000) 30.801 4.045 ( 61.719 0.000 0.000) 61.719 5.014 ( 33.259 0.000 0.000) 33.259 5.185 ( -50.696 0.000 0.000) 50.696 5.236 ( 0.755 0.000 0.000) 0.755 5.894 ( 31.384 0.000 0.000) 31.384 6.695 ( 1.787 0.000 0.000) 1.787 7.154 ( -40.306 0.000 0.000) 40.306 7.365 ( -23.704 0.000 0.000) 23.704 7.876 ( 15.855 0.000 0.000) 15.855 8.306 ( -25.285 0.000 0.000) 25.285 11.066 ( 12.409 0.000 0.000) 12.409 11.210 ( -1.897 0.000 0.000) 1.897 11.499 ( 3.821 0.000 0.000) 3.821 11.527 ( 0.487 0.000 0.000) 0.487 12.328 ( 9.653 0.000 0.000) 9.653 12.522 ( -9.814 0.000 0.000) 9.814 13.112 ( 1.688 0.000 0.000) 1.688 13.149 ( -2.023 0.000 0.000) 2.023 13.675 ( 7.037 0.000 0.000) 7.037 13.742 ( 1.861 0.000 0.000) 1.861 13.779 ( -1.667 0.000 0.000) 1.667 13.822 ( -7.361 0.000 0.000) 7.361 14.302 ( 12.979 0.000 0.000) 12.979 14.505 ( -6.334 0.000 0.000) 6.334 15.691 ( 2.087 0.000 0.000) 2.087 15.738 ( -1.709 0.000 0.000) 1.709 16.591 ( 4.298 0.000 0.000) 4.298 16.689 ( -2.701 0.000 0.000) 2.701 16.905 ( 1.950 0.000 0.000) 1.950 16.949 ( -2.437 0.000 0.000) 2.437 17.299 ( 9.813 0.000 0.000) 9.813 17.602 ( -17.319 0.000 0.000) 17.319 19.259 ( 12.845 0.000 0.000) 12.845 19.470 ( -8.255 0.000 0.000) 8.255 ======================= Grid point 7 (5/192) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 51.813 0.000) 51.813 1.423 ( 0.000 68.635 0.000) 68.635 1.822 ( 0.000 86.882 0.000) 86.882 5.004 ( 0.000 1.691 0.000) 1.691 5.102 ( 0.000 0.725 0.000) 0.725 5.425 ( 0.000 5.294 0.000) 5.294 5.908 ( 0.000 6.493 0.000) 6.493 6.380 ( 0.000 16.587 0.000) 16.587 7.928 ( 0.000 -23.785 0.000) 23.785 8.358 ( 0.000 -15.111 0.000) 15.111 9.281 ( 0.000 -22.885 0.000) 22.885 9.722 ( 0.000 -19.793 0.000) 19.793 10.031 ( 0.000 22.283 0.000) 22.283 10.881 ( 0.000 0.079 0.000) 0.079 11.081 ( 0.000 16.339 0.000) 16.339 11.249 ( 0.000 17.105 0.000) 17.105 11.930 ( 0.000 11.502 0.000) 11.502 12.749 ( 0.000 -4.957 0.000) 4.957 12.812 ( 0.000 -11.599 0.000) 11.599 13.011 ( 0.000 -3.717 0.000) 3.717 13.350 ( 0.000 10.125 0.000) 10.125 13.686 ( 0.000 -8.033 0.000) 8.033 13.706 ( 0.000 -1.402 0.000) 1.402 14.033 ( 0.000 1.209 0.000) 1.209 14.665 ( 0.000 17.479 0.000) 17.479 15.443 ( 0.000 -0.326 0.000) 0.326 15.717 ( 0.000 1.629 0.000) 1.629 15.878 ( 0.000 -2.047 0.000) 2.047 16.174 ( 0.000 5.977 0.000) 5.977 16.549 ( 0.000 -2.880 0.000) 2.880 16.688 ( 0.000 -13.307 0.000) 13.307 17.024 ( 0.000 -2.475 0.000) 2.475 18.113 ( 0.000 14.667 0.000) 14.667 18.186 ( 0.000 -5.642 0.000) 5.642 18.312 ( 0.000 -1.671 0.000) 1.671 19.215 ( 0.000 -2.887 0.000) 2.887 ======================= Grid point 8 (6/192) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 29.445 32.148 0.000) 43.595 1.511 ( 37.076 35.287 0.000) 51.184 2.950 ( 71.241 69.896 0.000) 99.804 5.123 ( 2.001 0.522 0.000) 2.068 5.171 ( -7.559 -3.635 0.000) 8.388 5.444 ( 8.937 -5.756 0.000) 10.631 5.786 ( -8.969 -7.574 0.000) 11.739 6.585 ( 14.677 26.747 0.000) 30.510 7.760 ( -14.930 -27.616 0.000) 31.393 7.962 ( -29.526 -17.656 0.000) 34.402 9.284 ( -3.202 -7.526 0.000) 8.179 9.617 ( -34.123 26.315 0.000) 43.091 10.080 ( 25.726 -14.753 0.000) 29.656 10.927 ( 4.727 -6.273 0.000) 7.854 11.250 ( 12.178 12.355 0.000) 17.348 11.460 ( 10.110 3.946 0.000) 10.853 11.938 ( 4.133 7.982 0.000) 8.988 12.746 ( -5.955 -11.089 0.000) 12.587 12.841 ( 7.443 -12.846 0.000) 14.847 13.030 ( 1.542 -2.510 0.000) 2.945 13.340 ( -0.941 9.320 0.000) 9.368 13.657 ( -2.717 -9.413 0.000) 9.797 13.735 ( 3.448 -1.740 0.000) 3.862 14.079 ( 3.917 2.210 0.000) 4.497 14.638 ( -2.674 13.527 0.000) 13.788 14.801 ( -29.926 30.387 0.000) 42.649 15.795 ( 2.119 6.247 0.000) 6.597 15.820 ( -3.819 2.378 0.000) 4.498 16.306 ( 11.104 2.028 0.000) 11.288 16.537 ( -1.269 -3.039 0.000) 3.294 16.704 ( 1.413 -11.967 0.000) 12.050 17.017 ( -0.612 -1.673 0.000) 1.781 17.804 ( -18.235 10.116 0.000) 20.853 18.103 ( -7.719 -5.177 0.000) 9.295 18.625 ( 18.763 2.829 0.000) 18.975 19.443 ( 9.546 -12.203 0.000) 15.493 ======================= Grid point 9 (7/192) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 60.387 -14.969 0.000) 62.214 2.349 ( 44.073 19.699 0.000) 48.275 4.351 ( 59.941 57.488 0.000) 83.053 4.828 ( -17.168 4.128 0.000) 17.657 5.168 ( 1.118 -1.051 0.000) 1.535 5.545 ( -17.762 -23.172 0.000) 29.197 5.595 ( 6.820 -5.462 0.000) 8.737 6.722 ( -4.150 16.490 0.000) 17.004 7.393 ( -20.454 -29.987 0.000) 36.298 7.576 ( -3.569 -1.674 0.000) 3.942 8.797 ( -43.214 36.158 0.000) 56.346 9.102 ( -14.829 16.252 0.000) 22.000 10.591 ( 23.004 -11.787 0.000) 25.848 11.039 ( 5.325 -11.595 0.000) 12.759 11.459 ( 7.855 7.206 0.000) 10.660 11.547 ( 1.562 3.963 0.000) 4.259 12.097 ( 9.131 -0.041 0.000) 9.131 12.598 ( -8.403 -9.634 0.000) 12.783 12.994 ( 7.118 -17.131 0.000) 18.551 13.065 ( 1.903 -0.889 0.000) 2.100 13.322 ( -0.457 6.451 0.000) 6.467 13.579 ( -5.125 -11.243 0.000) 12.356 13.862 ( 9.119 -2.094 0.000) 9.356 14.159 ( 3.531 7.301 0.000) 8.110 14.453 ( -8.566 24.606 0.000) 26.054 14.553 ( -5.958 2.578 0.000) 6.492 15.769 ( -0.955 6.621 0.000) 6.690 15.823 ( 0.721 7.147 0.000) 7.183 16.519 ( 0.225 -3.034 0.000) 3.042 16.555 ( 12.159 -1.336 0.000) 12.232 16.739 ( 2.226 -9.265 0.000) 9.528 16.995 ( -1.666 -0.400 0.000) 1.713 17.485 ( -12.253 10.386 0.000) 16.062 17.889 ( -13.253 -3.557 0.000) 13.722 18.979 ( 16.202 1.929 0.000) 16.317 19.518 ( -0.675 -6.367 0.000) 6.403 ======================= Grid point 10 (8/192) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 38.875 8.780 0.000) 39.854 3.436 ( 40.489 -25.059 0.000) 47.616 4.247 ( -15.382 10.527 0.000) 18.639 4.794 ( -42.236 -21.840 0.000) 47.548 5.294 ( 10.235 10.541 0.000) 14.692 5.321 ( 0.832 -1.393 0.000) 1.623 6.112 ( 53.140 23.991 0.000) 58.305 6.686 ( 4.471 -17.766 0.000) 18.320 6.998 ( -17.131 -20.754 0.000) 26.911 7.264 ( -42.526 33.120 0.000) 53.902 8.347 ( 8.339 34.108 0.000) 35.112 8.722 ( -21.813 28.943 0.000) 36.242 10.954 ( 12.706 -10.038 0.000) 16.193 11.091 ( -1.293 -11.063 0.000) 11.139 11.560 ( 2.488 3.475 0.000) 4.274 11.572 ( 0.775 2.402 0.000) 2.524 12.264 ( 7.845 -3.862 0.000) 8.744 12.426 ( -8.474 -7.314 0.000) 11.194 13.096 ( 2.449 -9.185 0.000) 9.506 13.100 ( 1.307 -1.449 0.000) 1.951 13.348 ( 3.724 -3.040 0.000) 4.807 13.459 ( -6.466 -10.782 0.000) 12.572 14.071 ( 10.513 3.386 0.000) 11.044 14.198 ( -0.827 15.836 0.000) 15.857 14.361 ( -1.526 9.697 0.000) 9.816 14.412 ( -6.815 -7.697 0.000) 10.281 15.780 ( 1.690 7.649 0.000) 7.834 15.817 ( -1.408 7.078 0.000) 7.217 16.566 ( 4.378 -2.448 0.000) 5.016 16.656 ( -2.657 -2.959 0.000) 3.977 16.844 ( 7.133 -4.531 0.000) 8.450 16.946 ( -3.425 -0.678 0.000) 3.491 17.389 ( 4.127 7.109 0.000) 8.221 17.602 ( -14.417 0.173 0.000) 14.418 19.260 ( 11.762 0.190 0.000) 11.764 19.444 ( -6.524 -2.324 0.000) 6.925 ======================= Grid point 14 (9/192) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 49.916 0.000) 49.916 2.801 ( 0.000 64.782 0.000) 64.782 3.510 ( 0.000 74.737 0.000) 74.737 5.058 ( 0.000 3.752 0.000) 3.752 5.126 ( 0.000 1.555 0.000) 1.555 5.603 ( 0.000 12.922 0.000) 12.922 6.072 ( 0.000 8.025 0.000) 8.025 6.821 ( 0.000 23.905 0.000) 23.905 7.325 ( 0.000 -31.736 0.000) 31.736 8.034 ( 0.000 -14.116 0.000) 14.116 8.709 ( 0.000 -30.821 0.000) 30.821 9.270 ( 0.000 -21.401 0.000) 21.401 10.579 ( 0.000 29.043 0.000) 29.043 10.846 ( 0.000 -3.632 0.000) 3.632 11.375 ( 0.000 8.011 0.000) 8.011 11.637 ( 0.000 17.989 0.000) 17.989 12.208 ( 0.000 13.251 0.000) 13.251 12.635 ( 0.000 -5.251 0.000) 5.251 12.641 ( 0.000 -0.961 0.000) 0.961 12.928 ( 0.000 -3.736 0.000) 3.736 13.560 ( 0.000 -4.241 0.000) 4.241 13.610 ( 0.000 14.584 0.000) 14.584 13.675 ( 0.000 -1.059 0.000) 1.059 14.047 ( 0.000 -0.235 0.000) 0.235 14.951 ( 0.000 9.189 0.000) 9.189 15.439 ( 0.000 0.122 0.000) 0.122 15.768 ( 0.000 3.401 0.000) 3.401 15.811 ( 0.000 -4.637 0.000) 4.637 16.361 ( 0.000 11.548 0.000) 11.548 16.407 ( 0.000 -12.478 0.000) 12.478 16.463 ( 0.000 -5.304 0.000) 5.304 16.936 ( 0.000 -6.516 0.000) 6.516 18.036 ( 0.000 -8.173 0.000) 8.173 18.273 ( 0.000 -1.725 0.000) 1.725 18.441 ( 0.000 15.879 0.000) 15.879 19.127 ( 0.000 -5.650 0.000) 5.650 ======================= Grid point 15 (10/192) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 20.945 43.256 0.000) 48.060 2.370 ( -16.714 61.500 0.000) 63.731 4.317 ( 54.273 55.431 0.000) 77.576 5.143 ( 1.602 1.447 0.000) 2.159 5.153 ( 5.899 6.826 0.000) 9.022 5.524 ( -5.845 10.761 0.000) 12.246 5.698 ( -27.177 -2.032 0.000) 27.253 7.139 ( -14.798 -28.444 0.000) 32.063 7.143 ( 11.877 23.148 0.000) 26.017 7.649 ( -17.772 -7.969 0.000) 19.477 8.932 ( 17.594 -25.195 0.000) 30.730 9.678 ( 29.443 -17.951 0.000) 34.484 10.291 ( -25.074 33.026 0.000) 41.466 10.821 ( -1.867 -3.780 0.000) 4.216 11.453 ( 5.233 3.558 0.000) 6.328 11.680 ( 2.606 13.906 0.000) 14.148 12.165 ( -2.760 10.775 0.000) 11.123 12.573 ( -5.667 -2.277 0.000) 6.108 12.676 ( 3.782 -5.808 0.000) 6.931 12.993 ( 5.380 -0.451 0.000) 5.399 13.487 ( -6.342 -6.979 0.000) 9.430 13.544 ( -4.145 8.444 0.000) 9.406 13.741 ( 4.656 5.028 0.000) 6.853 14.107 ( 5.135 0.762 0.000) 5.191 14.856 ( -8.825 6.769 0.000) 11.122 15.115 ( -20.497 6.939 0.000) 21.640 15.833 ( 1.916 -2.499 0.000) 3.149 15.910 ( 6.321 4.545 0.000) 7.786 16.405 ( 4.770 5.410 0.000) 7.213 16.441 ( -1.716 -6.015 0.000) 6.255 16.473 ( 5.542 -6.794 0.000) 8.767 16.953 ( 1.227 -5.155 0.000) 5.299 17.969 ( -6.270 -7.134 0.000) 9.497 17.982 ( -17.013 6.398 0.000) 18.176 18.729 ( 16.853 7.254 0.000) 18.348 19.240 ( 8.461 -8.438 0.000) 11.949 ======================= Grid point 16 (11/192) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 22.818 26.187 0.000) 34.734 2.876 ( 30.088 29.842 0.000) 42.378 4.913 ( -10.989 3.319 0.000) 11.479 5.090 ( -27.175 -11.033 0.000) 29.329 5.208 ( -1.825 -4.223 0.000) 4.600 5.301 ( 7.664 20.317 0.000) 21.715 5.710 ( 35.965 22.094 0.000) 42.210 6.743 ( -28.858 -6.292 0.000) 29.536 6.901 ( -3.546 -6.565 0.000) 7.461 7.947 ( 25.226 28.786 0.000) 38.275 9.233 ( 9.321 -6.578 0.000) 11.408 9.599 ( -35.542 39.387 0.000) 53.053 10.305 ( 25.165 -13.379 0.000) 28.500 10.795 ( -0.308 -8.350 0.000) 8.355 11.522 ( 1.448 -3.802 0.000) 4.068 11.674 ( -3.312 8.932 0.000) 9.526 12.161 ( 2.554 3.708 0.000) 4.503 12.447 ( -6.496 -2.572 0.000) 6.987 12.778 ( 6.343 -7.532 0.000) 9.847 13.109 ( 5.478 6.152 0.000) 8.238 13.339 ( -7.782 -13.022 0.000) 15.170 13.465 ( -3.911 6.778 0.000) 7.826 13.861 ( 7.787 4.637 0.000) 9.063 14.223 ( 5.982 1.207 0.000) 6.102 14.633 ( -12.625 4.075 0.000) 13.266 14.777 ( -13.201 8.889 0.000) 15.915 15.877 ( 2.374 1.334 0.000) 2.723 15.980 ( 1.152 6.606 0.000) 6.706 16.426 ( 0.943 -5.928 0.000) 6.002 16.535 ( 6.522 -2.117 0.000) 6.857 16.596 ( 6.791 -1.710 0.000) 7.003 16.962 ( -0.798 -3.533 0.000) 3.622 17.680 ( -12.145 8.100 0.000) 14.598 17.805 ( -9.546 -3.895 0.000) 10.310 19.040 ( 13.823 3.919 0.000) 14.367 19.373 ( 3.863 -7.315 0.000) 8.272 ======================= Grid point 17 (12/192) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 36.304 -5.775 0.000) 36.760 3.406 ( 15.093 9.102 0.000) 17.625 4.468 ( -24.912 -6.557 0.000) 25.761 4.512 ( -21.444 15.355 0.000) 26.374 5.257 ( 3.328 -3.152 0.000) 4.583 5.320 ( -2.342 -3.452 0.000) 4.171 6.195 ( 6.872 -16.733 0.000) 18.090 6.329 ( -11.752 -13.177 0.000) 17.656 7.323 ( 43.495 48.749 0.000) 65.332 8.117 ( -21.266 43.294 0.000) 48.235 9.076 ( -3.897 34.920 0.000) 35.137 9.237 ( -8.425 17.162 0.000) 19.119 10.698 ( 12.466 -13.171 0.000) 18.135 10.804 ( -0.071 -14.040 0.000) 14.040 11.533 ( 0.806 -6.697 0.000) 6.746 11.587 ( -4.351 0.354 0.000) 4.366 12.234 ( 4.176 -0.054 0.000) 4.177 12.327 ( -5.290 -1.487 0.000) 5.495 12.929 ( 8.677 -8.036 0.000) 11.827 13.105 ( -7.668 -1.258 0.000) 7.771 13.282 ( 3.991 -4.409 0.000) 5.947 13.379 ( -4.769 4.450 0.000) 6.522 14.059 ( 11.714 1.352 0.000) 11.792 14.283 ( -6.155 -2.788 0.000) 6.757 14.437 ( -0.264 8.096 0.000) 8.100 14.562 ( -8.915 7.402 0.000) 11.587 15.926 ( 2.479 4.311 0.000) 4.973 15.971 ( -1.726 6.044 0.000) 6.286 16.490 ( 4.999 -4.794 0.000) 6.927 16.578 ( -2.209 -4.477 0.000) 4.992 16.764 ( 8.801 -2.579 0.000) 9.171 16.906 ( -4.991 -3.363 0.000) 6.018 17.540 ( -1.185 7.086 0.000) 7.185 17.619 ( -7.919 1.790 0.000) 8.119 19.269 ( 8.783 0.571 0.000) 8.802 19.385 ( -2.664 -3.315 0.000) 4.253 ======================= Grid point 21 (13/192) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 0.000 45.937 0.000) 45.937 4.014 ( 0.000 49.246 0.000) 49.246 4.663 ( 0.000 29.889 0.000) 29.889 5.162 ( 0.000 1.784 0.000) 1.784 5.192 ( 0.000 11.887 0.000) 11.887 5.987 ( 0.000 19.015 0.000) 19.015 6.160 ( 0.000 -1.211 0.000) 1.211 6.862 ( 0.000 0.349 0.000) 0.349 7.207 ( 0.000 8.866 0.000) 8.866 7.879 ( 0.000 1.184 0.000) 1.184 8.086 ( 0.000 -27.973 0.000) 27.973 9.003 ( 0.000 0.308 0.000) 0.308 10.743 ( 0.000 -5.993 0.000) 5.993 11.153 ( 0.000 25.224 0.000) 25.224 11.326 ( 0.000 -11.029 0.000) 11.029 11.863 ( 0.000 1.506 0.000) 1.506 12.373 ( 0.000 0.662 0.000) 0.662 12.589 ( 0.000 1.694 0.000) 1.694 12.784 ( 0.000 9.311 0.000) 9.311 12.874 ( 0.000 -1.574 0.000) 1.574 13.551 ( 0.000 5.980 0.000) 5.980 13.708 ( 0.000 5.503 0.000) 5.503 13.944 ( 0.000 18.172 0.000) 18.172 14.022 ( 0.000 -1.825 0.000) 1.825 15.057 ( 0.000 2.216 0.000) 2.216 15.452 ( 0.000 1.158 0.000) 1.158 15.692 ( 0.000 -6.441 0.000) 6.441 15.851 ( 0.000 4.297 0.000) 4.297 16.215 ( 0.000 -5.895 0.000) 5.895 16.337 ( 0.000 -6.732 0.000) 6.732 16.592 ( 0.000 9.516 0.000) 9.516 16.739 ( 0.000 -12.890 0.000) 12.890 17.886 ( 0.000 -5.613 0.000) 5.613 18.258 ( 0.000 0.614 0.000) 0.614 18.727 ( 0.000 11.377 0.000) 11.377 18.984 ( 0.000 -8.135 0.000) 8.135 ======================= Grid point 22 (14/192) ======================= q-point: ( 0.14 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 11.283 41.848 0.000) 43.342 3.607 ( -27.716 55.539 0.000) 62.070 4.793 ( 7.699 -1.453 0.000) 7.835 5.180 ( 1.619 1.947 0.000) 2.532 5.520 ( 22.678 15.254 0.000) 27.331 5.645 ( -37.962 -4.056 0.000) 38.178 5.865 ( -11.924 14.440 0.000) 18.727 6.943 ( 12.787 23.188 0.000) 26.480 7.346 ( -26.670 4.776 0.000) 27.095 7.773 ( 27.870 8.644 0.000) 29.180 8.356 ( 23.661 -27.843 0.000) 36.539 9.438 ( 32.195 -0.247 0.000) 32.196 10.736 ( -0.827 -4.743 0.000) 4.815 10.930 ( -18.802 24.746 0.000) 31.078 11.361 ( 0.365 -8.210 0.000) 8.218 11.888 ( 2.092 2.614 0.000) 3.348 12.309 ( -6.078 1.397 0.000) 6.236 12.564 ( -1.875 -3.387 0.000) 3.872 12.650 ( -8.871 6.655 0.000) 11.090 12.958 ( 3.402 -6.717 0.000) 7.529 13.474 ( -5.073 10.025 0.000) 11.236 13.710 ( 0.009 10.187 0.000) 10.187 13.968 ( 2.368 15.252 0.000) 15.435 14.115 ( 7.340 0.133 0.000) 7.341 14.938 ( -10.382 2.149 0.000) 10.602 15.214 ( -16.786 3.772 0.000) 17.204 15.724 ( 2.917 -6.991 0.000) 7.575 15.984 ( 7.217 2.561 0.000) 7.658 16.302 ( -2.340 -7.111 0.000) 7.486 16.303 ( 7.448 -5.001 0.000) 8.971 16.613 ( 1.958 8.170 0.000) 8.401 16.782 ( 3.228 -11.700 0.000) 12.137 17.846 ( -3.692 -4.175 0.000) 5.573 18.081 ( -13.370 4.059 0.000) 13.973 18.891 ( 12.128 7.431 0.000) 14.224 19.068 ( 7.237 -8.742 0.000) 11.349 ======================= Grid point 23 (15/192) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -11.359 40.630 0.000) 42.188 3.502 ( 13.172 29.118 0.000) 31.959 4.903 ( -32.243 -3.336 0.000) 32.415 4.910 ( 3.239 -3.849 0.000) 5.031 5.216 ( 1.619 2.241 0.000) 2.764 5.545 ( -18.404 9.146 0.000) 20.551 5.828 ( 8.042 -2.283 0.000) 8.360 6.700 ( -30.981 4.033 0.000) 31.242 7.494 ( 40.008 49.131 0.000) 63.360 8.421 ( 29.658 11.259 0.000) 31.723 8.890 ( 26.841 -21.361 0.000) 34.303 10.029 ( 19.865 3.545 0.000) 20.179 10.475 ( -21.624 29.725 0.000) 36.758 10.701 ( -2.873 -2.752 0.000) 3.978 11.330 ( -2.196 -10.863 0.000) 11.083 11.890 ( -4.933 8.611 0.000) 9.924 12.181 ( -3.730 -2.304 0.000) 4.384 12.471 ( -8.628 3.198 0.000) 9.201 12.547 ( 0.913 -13.418 0.000) 13.449 12.939 ( -5.544 -19.840 0.000) 20.600 13.441 ( 2.420 20.157 0.000) 20.301 13.697 ( -1.562 16.776 0.000) 16.848 14.039 ( 4.908 11.111 0.000) 12.147 14.259 ( 6.257 2.361 0.000) 6.687 14.707 ( -11.304 3.367 0.000) 11.795 14.904 ( -13.437 4.783 0.000) 14.263 15.803 ( 4.881 -7.168 0.000) 8.672 16.056 ( -0.023 -0.137 0.000) 0.139 16.294 ( 2.195 -5.924 0.000) 6.317 16.447 ( 5.509 -4.365 0.000) 7.029 16.664 ( 2.986 4.169 0.000) 5.128 16.829 ( 0.838 -9.422 0.000) 9.459 17.757 ( -4.645 -0.419 0.000) 4.664 17.825 ( -10.869 6.525 0.000) 12.677 19.122 ( 10.088 3.433 0.000) 10.656 19.219 ( 6.722 -7.845 0.000) 10.331 ======================= Grid point 24 (16/192) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 12.434 14.382 0.000) 19.012 3.534 ( -13.472 5.261 0.000) 14.463 4.591 ( 4.899 16.808 0.000) 17.507 4.849 ( -11.934 15.684 0.000) 19.708 5.230 ( -0.283 0.930 0.000) 0.973 5.255 ( -6.402 -0.518 0.000) 6.423 5.952 ( 7.139 -3.298 0.000) 7.864 6.196 ( -18.537 0.651 0.000) 18.548 8.349 ( 40.092 41.618 0.000) 57.788 8.794 ( 1.856 15.137 0.000) 15.250 9.344 ( 17.864 -1.269 0.000) 17.909 9.745 ( -27.059 31.581 0.000) 41.588 10.531 ( 8.877 -1.259 0.000) 8.966 10.629 ( -3.698 -3.465 0.000) 5.067 11.374 ( 9.117 -5.397 0.000) 10.594 11.656 ( -15.847 6.294 0.000) 17.051 12.205 ( 4.308 -3.230 0.000) 5.384 12.317 ( -6.681 -0.559 0.000) 6.705 12.619 ( 6.328 -20.098 0.000) 21.070 12.781 ( -9.007 -22.303 0.000) 24.053 13.534 ( 5.711 21.463 0.000) 22.210 13.639 ( -4.321 20.040 0.000) 20.501 14.167 ( 7.730 7.848 0.000) 11.016 14.308 ( -3.651 4.117 0.000) 5.503 14.567 ( 0.167 5.299 0.000) 5.301 14.680 ( -9.022 4.874 0.000) 10.254 15.910 ( 5.500 -5.551 0.000) 7.814 16.009 ( -4.040 -2.959 0.000) 5.008 16.381 ( 5.756 -5.303 0.000) 7.826 16.479 ( -2.576 -4.966 0.000) 5.595 16.735 ( 4.063 -1.188 0.000) 4.233 16.808 ( -2.744 -6.026 0.000) 6.621 17.680 ( -2.550 4.072 0.000) 4.805 17.681 ( -3.294 6.857 0.000) 7.607 19.274 ( 4.749 -0.497 0.000) 4.775 19.306 ( 1.550 -4.556 0.000) 4.813 ======================= Grid point 28 (17/192) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( 0.000 38.824 0.000) 38.824 4.572 ( 0.000 4.788 0.000) 4.788 4.716 ( 0.000 -17.794 0.000) 17.794 5.188 ( 0.000 0.494 0.000) 0.494 5.702 ( 0.000 34.369 0.000) 34.369 6.022 ( 0.000 -10.273 0.000) 10.273 6.097 ( 0.000 2.211 0.000) 2.211 7.124 ( 0.000 -13.431 0.000) 13.431 7.666 ( 0.000 60.792 0.000) 60.792 7.672 ( 0.000 -8.316 0.000) 8.316 8.099 ( 0.000 18.842 0.000) 18.842 9.347 ( 0.000 29.672 0.000) 29.672 10.614 ( 0.000 -6.230 0.000) 6.230 11.017 ( 0.000 -17.575 0.000) 17.575 11.568 ( 0.000 14.831 0.000) 14.831 11.722 ( 0.000 -12.791 0.000) 12.791 12.206 ( 0.000 -16.179 0.000) 16.179 12.627 ( 0.000 -1.089 0.000) 1.089 12.813 ( 0.000 -6.298 0.000) 6.298 12.827 ( 0.000 -4.757 0.000) 4.757 13.860 ( 0.000 21.082 0.000) 21.082 13.914 ( 0.000 13.854 0.000) 13.854 14.013 ( 0.000 2.240 0.000) 2.240 14.368 ( 0.000 22.987 0.000) 22.987 15.087 ( 0.000 1.667 0.000) 1.667 15.484 ( 0.000 1.859 0.000) 1.859 15.569 ( 0.000 -5.155 0.000) 5.155 15.923 ( 0.000 1.917 0.000) 1.917 16.165 ( 0.000 0.949 0.000) 0.949 16.201 ( 0.000 -5.969 0.000) 5.969 16.410 ( 0.000 -18.667 0.000) 18.667 16.722 ( 0.000 3.206 0.000) 3.206 17.823 ( 0.000 -0.414 0.000) 0.414 18.301 ( 0.000 3.349 0.000) 3.349 18.796 ( 0.000 -10.089 0.000) 10.089 18.893 ( 0.000 4.589 0.000) 4.589 ======================= Grid point 29 (18/192) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( 2.620 34.168 0.000) 34.269 4.389 ( -26.656 4.079 0.000) 26.966 4.658 ( 7.861 2.315 0.000) 8.194 5.216 ( 2.538 1.549 0.000) 2.973 5.553 ( -33.210 -3.240 0.000) 33.368 5.720 ( -0.780 10.291 0.000) 10.321 6.116 ( 0.461 17.163 0.000) 17.169 7.494 ( 2.365 0.230 0.000) 2.376 7.626 ( 9.733 5.099 0.000) 10.988 7.777 ( -0.963 3.248 0.000) 3.388 8.175 ( 34.577 37.740 0.000) 51.184 9.748 ( 30.334 27.070 0.000) 40.656 10.634 ( 1.531 -4.842 0.000) 5.078 10.919 ( -9.460 -17.374 0.000) 19.782 11.525 ( -4.330 16.212 0.000) 16.780 11.759 ( 3.057 -13.805 0.000) 14.139 12.085 ( -9.214 -19.188 0.000) 21.286 12.637 ( -0.836 5.068 0.000) 5.137 12.688 ( -10.368 -15.183 0.000) 18.385 12.791 ( -4.823 3.938 0.000) 6.227 13.847 ( 0.705 21.388 0.000) 21.399 13.960 ( 4.371 13.381 0.000) 14.077 14.134 ( 9.235 2.832 0.000) 9.659 14.349 ( -1.769 21.560 0.000) 21.632 14.978 ( -9.288 2.482 0.000) 9.614 15.289 ( -14.707 3.649 0.000) 15.153 15.584 ( 1.502 -6.048 0.000) 6.231 15.981 ( 1.070 -4.477 0.000) 4.603 16.185 ( 0.473 -3.128 0.000) 3.164 16.247 ( 6.883 -0.369 0.000) 6.893 16.487 ( 6.057 -16.020 0.000) 17.127 16.719 ( -0.468 2.122 0.000) 2.173 17.809 ( -1.182 0.625 0.000) 1.337 18.173 ( -10.352 5.147 0.000) 11.561 18.873 ( 7.103 -10.222 0.000) 12.448 19.000 ( 8.352 2.608 0.000) 8.750 ======================= Grid point 30 (19/192) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -22.585 19.399 0.000) 29.773 4.000 ( -8.123 18.765 0.000) 20.448 4.855 ( 11.130 3.001 0.000) 11.528 5.023 ( -13.951 14.793 0.000) 20.334 5.277 ( 2.959 4.012 0.000) 4.985 5.631 ( -8.181 4.490 0.000) 9.332 6.087 ( -2.298 23.765 0.000) 23.876 6.927 ( -32.937 17.718 0.000) 37.400 7.996 ( 24.673 -13.944 0.000) 28.341 8.318 ( 28.361 -17.998 0.000) 33.590 8.965 ( 42.224 41.392 0.000) 59.128 10.311 ( 21.493 20.169 0.000) 29.474 10.641 ( -1.842 -3.014 0.000) 3.532 10.673 ( -13.743 -12.163 0.000) 18.353 11.409 ( -5.681 19.060 0.000) 19.889 11.753 ( -5.684 -26.225 0.000) 26.834 12.000 ( 3.847 -8.511 0.000) 9.340 12.448 ( -12.149 -14.986 0.000) 19.292 12.551 ( -7.697 11.382 0.000) 13.740 12.645 ( -9.325 2.698 0.000) 9.708 13.904 ( 4.623 22.513 0.000) 22.983 14.066 ( 5.118 15.934 0.000) 16.736 14.309 ( -1.549 16.287 0.000) 16.360 14.317 ( 8.087 3.454 0.000) 8.794 14.782 ( -9.084 4.139 0.000) 9.983 15.002 ( -12.986 5.042 0.000) 13.930 15.636 ( 3.813 -8.302 0.000) 9.135 15.943 ( -3.454 -10.119 0.000) 10.693 16.219 ( 2.195 -2.188 0.000) 3.099 16.375 ( 4.458 -2.440 0.000) 5.083 16.605 ( 4.961 -11.173 0.000) 12.225 16.699 ( -1.377 -0.954 0.000) 1.675 17.787 ( -0.848 3.159 0.000) 3.271 17.966 ( -9.160 7.459 0.000) 11.813 19.042 ( 8.718 -9.556 0.000) 12.936 19.157 ( 6.352 -0.582 0.000) 6.379 ======================= Grid point 31 (20/192) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( -3.329 20.569 0.000) 20.836 3.720 ( -14.585 13.846 0.000) 20.111 5.017 ( 8.011 20.091 0.000) 21.629 5.061 ( 7.102 6.066 0.000) 9.340 5.314 ( 0.681 9.051 0.000) 9.077 5.416 ( -11.232 14.832 0.000) 18.605 6.098 ( 5.302 17.475 0.000) 18.261 6.363 ( -21.728 15.593 0.000) 26.744 8.486 ( 20.804 -21.852 0.000) 30.171 8.678 ( 4.586 -20.617 0.000) 21.121 9.785 ( 37.810 39.431 0.000) 54.629 10.379 ( -18.550 14.337 0.000) 23.445 10.474 ( -1.749 2.702 0.000) 3.219 10.543 ( -6.824 -6.992 0.000) 9.770 11.434 ( 9.058 9.315 0.000) 12.992 11.618 ( -7.386 -17.399 0.000) 18.902 12.145 ( 7.910 -0.066 0.000) 7.911 12.258 ( -6.021 -6.508 0.000) 8.866 12.386 ( -5.674 3.685 0.000) 6.766 12.446 ( -9.413 -3.308 0.000) 9.977 14.011 ( 5.555 22.968 0.000) 23.631 14.100 ( -2.377 22.796 0.000) 22.919 14.335 ( 4.396 7.853 0.000) 9.000 14.411 ( -0.395 5.358 0.000) 5.373 14.674 ( 0.339 5.396 0.000) 5.407 14.783 ( -8.824 5.417 0.000) 10.354 15.736 ( 5.979 -10.397 0.000) 11.994 15.855 ( -5.408 -11.149 0.000) 12.391 16.285 ( 4.762 -4.101 0.000) 6.285 16.383 ( -3.566 -4.073 0.000) 5.414 16.671 ( 1.662 -6.955 0.000) 7.151 16.683 ( -0.110 -4.115 0.000) 4.116 17.784 ( 0.793 6.066 0.000) 6.118 17.831 ( -4.308 7.972 0.000) 9.062 19.187 ( 5.129 -7.269 0.000) 8.897 19.231 ( 0.829 -4.004 0.000) 4.089 ======================= Grid point 35 (21/192) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( 0.000 -23.951 0.000) 23.951 4.428 ( 0.000 -14.955 0.000) 14.955 4.665 ( 0.000 25.813 0.000) 25.813 5.175 ( 0.000 -1.826 0.000) 1.826 5.842 ( 0.000 -4.639 0.000) 4.639 6.203 ( 0.000 6.643 0.000) 6.643 6.228 ( 0.000 13.323 0.000) 13.323 6.804 ( 0.000 -15.799 0.000) 15.799 7.912 ( 0.000 31.756 0.000) 31.756 8.579 ( 0.000 26.348 0.000) 26.348 8.944 ( 0.000 60.188 0.000) 60.188 10.057 ( 0.000 36.239 0.000) 36.239 10.491 ( 0.000 -6.138 0.000) 6.138 10.635 ( 0.000 -18.692 0.000) 18.692 11.410 ( 0.000 -16.547 0.000) 16.547 11.767 ( 0.000 -24.568 0.000) 24.568 11.786 ( 0.000 7.513 0.000) 7.513 12.479 ( 0.000 -13.647 0.000) 13.647 12.605 ( 0.000 -12.517 0.000) 12.517 12.616 ( 0.000 -16.147 0.000) 16.147 14.133 ( 0.000 8.606 0.000) 8.606 14.241 ( 0.000 17.320 0.000) 17.320 14.255 ( 0.000 14.818 0.000) 14.818 14.858 ( 0.000 23.512 0.000) 23.512 15.153 ( 0.000 5.001 0.000) 5.001 15.482 ( 0.000 -3.460 0.000) 3.460 15.525 ( 0.000 2.046 0.000) 2.046 15.896 ( 0.000 -4.491 0.000) 4.491 16.002 ( 0.000 -20.099 0.000) 20.099 16.113 ( 0.000 -3.048 0.000) 3.048 16.252 ( 0.000 7.364 0.000) 7.364 16.746 ( 0.000 -0.213 0.000) 0.213 17.862 ( 0.000 3.926 0.000) 3.926 18.384 ( 0.000 4.488 0.000) 4.488 18.576 ( 0.000 -11.099 0.000) 11.099 18.914 ( 0.000 -2.396 0.000) 2.396 ======================= Grid point 36 (22/192) ======================= q-point: ( 0.14 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.095 ( -6.377 -16.208 0.000) 17.417 4.573 ( -8.959 18.633 0.000) 20.675 4.680 ( 16.096 -9.075 0.000) 18.478 5.239 ( 4.208 -0.252 0.000) 4.215 5.597 ( -13.611 9.686 0.000) 16.706 5.992 ( -10.480 13.309 0.000) 16.941 6.438 ( 10.899 7.732 0.000) 13.363 7.195 ( 29.578 -20.329 0.000) 35.891 7.769 ( -9.951 25.162 0.000) 27.058 8.169 ( -33.057 26.925 0.000) 42.635 9.264 ( 27.622 53.487 0.000) 60.198 10.338 ( 12.992 15.678 0.000) 20.361 10.546 ( 4.815 -3.871 0.000) 6.178 10.549 ( -0.982 -5.911 0.000) 5.992 11.326 ( -12.050 -28.123 0.000) 30.596 11.702 ( 1.438 -15.277 0.000) 15.345 11.781 ( -0.501 9.302 0.000) 9.316 12.328 ( -13.535 -17.986 0.000) 22.510 12.622 ( 9.860 -7.618 0.000) 12.460 12.815 ( 5.777 -3.890 0.000) 6.965 14.174 ( 3.907 9.553 0.000) 10.321 14.257 ( 1.891 15.700 0.000) 15.813 14.302 ( 4.596 12.391 0.000) 13.216 14.810 ( -4.647 21.834 0.000) 22.323 15.061 ( -8.039 5.881 0.000) 9.961 15.362 ( -12.735 3.388 0.000) 13.178 15.482 ( -0.205 -4.087 0.000) 4.092 15.790 ( -5.759 -13.336 0.000) 14.526 16.126 ( 2.287 -7.049 0.000) 7.411 16.208 ( 11.568 -6.663 0.000) 13.350 16.290 ( 3.302 4.485 0.000) 5.570 16.721 ( -2.696 -1.327 0.000) 3.005 17.865 ( 0.425 4.618 0.000) 4.638 18.291 ( -7.563 6.352 0.000) 9.876 18.649 ( 6.877 -11.459 0.000) 13.364 18.988 ( 5.699 -3.809 0.000) 6.854 ======================= Grid point 37 (23/192) ======================= q-point: ( 0.29 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( -1.921 2.997 0.000) 3.560 4.328 ( -13.950 15.081 0.000) 20.544 4.963 ( 11.765 1.165 0.000) 11.822 5.235 ( -2.262 0.837 0.000) 2.412 5.562 ( 7.292 25.447 0.000) 26.471 5.826 ( -5.660 13.709 0.000) 14.832 6.616 ( 4.806 20.137 0.000) 20.703 7.397 ( -31.247 26.451 0.000) 40.939 7.679 ( 4.185 -3.043 0.000) 5.175 7.844 ( 22.243 -24.965 0.000) 33.436 9.898 ( 32.752 40.463 0.000) 52.057 10.147 ( -15.967 -27.713 0.000) 31.984 10.581 ( -6.646 -3.369 0.000) 7.451 10.843 ( 13.173 20.575 0.000) 24.431 11.065 ( -5.461 -36.101 0.000) 36.512 11.732 ( -6.897 6.910 0.000) 9.763 11.873 ( 13.400 -3.229 0.000) 13.784 12.154 ( -0.335 -6.020 0.000) 6.029 12.745 ( 0.835 4.585 0.000) 4.661 12.808 ( -6.752 7.845 0.000) 10.350 14.275 ( 5.910 11.891 0.000) 13.279 14.329 ( 5.476 11.631 0.000) 12.856 14.427 ( 7.258 8.002 0.000) 10.803 14.687 ( -7.145 18.153 0.000) 19.509 14.887 ( -8.195 6.392 0.000) 10.393 15.107 ( -11.945 4.754 0.000) 12.857 15.480 ( 0.444 -6.684 0.000) 6.699 15.682 ( -5.084 -14.759 0.000) 15.610 16.160 ( 1.684 -3.392 0.000) 3.787 16.352 ( 1.823 0.190 0.000) 1.833 16.416 ( 8.316 -6.808 0.000) 10.747 16.641 ( -4.729 -4.118 0.000) 6.271 17.885 ( 1.714 6.495 0.000) 6.717 18.137 ( -7.135 9.320 0.000) 11.737 18.823 ( 9.627 -11.734 0.000) 15.178 19.086 ( 3.283 -6.383 0.000) 7.178 ======================= Grid point 38 (24/192) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( 1.011 20.260 0.000) 20.285 4.092 ( -8.345 21.377 0.000) 22.948 5.156 ( 7.041 2.088 0.000) 7.344 5.221 ( -0.300 1.872 0.000) 1.896 5.713 ( 5.606 26.297 0.000) 26.888 5.763 ( -1.135 18.657 0.000) 18.691 6.632 ( 0.659 31.903 0.000) 31.910 6.825 ( -20.834 28.747 0.000) 35.502 7.935 ( 17.223 -26.762 0.000) 31.825 8.141 ( 1.779 -29.218 0.000) 29.272 9.959 ( 1.236 -31.168 0.000) 31.192 10.190 ( -15.909 -21.506 0.000) 26.751 10.569 ( 22.089 24.044 0.000) 32.650 10.898 ( -7.684 15.387 0.000) 17.199 11.182 ( 12.676 -17.262 0.000) 21.417 11.482 ( -15.806 -5.496 0.000) 16.734 12.189 ( 17.225 6.287 0.000) 18.337 12.326 ( 12.616 13.810 0.000) 18.705 12.574 ( -14.115 12.462 0.000) 18.829 12.639 ( -10.611 14.463 0.000) 17.938 14.402 ( 6.661 12.999 0.000) 14.606 14.460 ( 6.555 8.074 0.000) 10.400 14.537 ( 1.371 8.210 0.000) 8.323 14.542 ( -6.995 16.003 0.000) 17.465 14.786 ( 0.035 5.277 0.000) 5.278 14.896 ( -8.970 4.956 0.000) 10.248 15.512 ( 2.792 -11.026 0.000) 11.374 15.586 ( -4.422 -14.344 0.000) 15.011 16.216 ( 4.284 -2.248 0.000) 4.838 16.320 ( -4.882 -1.895 0.000) 5.237 16.532 ( 3.433 -6.526 0.000) 7.374 16.573 ( -1.713 -6.122 0.000) 6.357 17.935 ( 3.261 8.884 0.000) 9.464 18.016 ( -4.949 10.331 0.000) 11.455 19.001 ( 7.421 -10.895 0.000) 13.183 19.099 ( -2.167 -8.935 0.000) 9.194 ======================= Grid point 42 (25/192) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 0.000 -11.106 0.000) 11.106 4.071 ( 0.000 -17.316 0.000) 17.316 4.998 ( 0.000 7.299 0.000) 7.299 5.123 ( 0.000 -2.815 0.000) 2.815 5.911 ( 0.000 11.059 0.000) 11.059 6.324 ( 0.000 4.554 0.000) 4.554 6.361 ( 0.000 2.625 0.000) 2.625 6.498 ( 0.000 -14.277 0.000) 14.277 8.764 ( 0.000 45.960 0.000) 45.960 9.138 ( 0.000 27.340 0.000) 27.340 10.043 ( 0.000 41.902 0.000) 41.902 10.167 ( 0.000 -21.520 0.000) 21.520 10.297 ( 0.000 -13.789 0.000) 13.789 10.860 ( 0.000 35.600 0.000) 35.600 11.071 ( 0.000 -16.100 0.000) 16.100 11.339 ( 0.000 -10.994 0.000) 10.994 11.915 ( 0.000 4.972 0.000) 4.972 12.073 ( 0.000 -25.243 0.000) 25.243 12.188 ( 0.000 -23.880 0.000) 23.880 12.339 ( 0.000 -12.626 0.000) 12.626 14.313 ( 0.000 7.938 0.000) 7.938 14.438 ( 0.000 3.554 0.000) 3.554 14.612 ( 0.000 18.681 0.000) 18.681 15.229 ( 0.000 5.544 0.000) 5.544 15.271 ( 0.000 5.546 0.000) 5.546 15.420 ( 0.000 -2.763 0.000) 2.763 15.554 ( 0.000 1.126 0.000) 1.126 15.690 ( 0.000 -3.880 0.000) 3.880 15.778 ( 0.000 -6.111 0.000) 6.111 16.024 ( 0.000 -6.559 0.000) 6.559 16.443 ( 0.000 10.228 0.000) 10.228 16.723 ( 0.000 -2.327 0.000) 2.327 17.975 ( 0.000 6.940 0.000) 6.940 18.349 ( 0.000 -10.771 0.000) 10.771 18.490 ( 0.000 6.104 0.000) 6.104 18.809 ( 0.000 -7.369 0.000) 7.369 ======================= Grid point 43 (26/192) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( 7.754 -2.025 0.000) 8.014 4.365 ( 22.877 -18.734 0.000) 29.569 4.837 ( -10.631 9.479 0.000) 14.243 5.173 ( 0.686 -5.925 0.000) 5.964 5.935 ( 5.555 20.486 0.000) 21.226 6.223 ( -6.105 9.134 0.000) 10.986 6.454 ( 6.323 -2.795 0.000) 6.913 6.775 ( 22.864 -20.121 0.000) 30.457 8.574 ( -17.299 46.817 0.000) 49.911 8.768 ( -31.675 30.359 0.000) 43.875 9.964 ( -19.052 -26.239 0.000) 32.426 10.163 ( 9.580 23.363 0.000) 25.251 10.376 ( 7.206 -14.446 0.000) 16.143 10.775 ( -21.512 -15.939 0.000) 26.774 11.044 ( 12.542 27.253 0.000) 30.000 11.529 ( 17.122 1.403 0.000) 17.179 11.868 ( -9.614 -9.307 0.000) 13.381 12.066 ( 4.659 2.383 0.000) 5.233 12.325 ( 19.332 -20.641 0.000) 28.280 12.624 ( 16.051 -13.766 0.000) 21.146 14.350 ( 3.551 7.623 0.000) 8.409 14.472 ( 3.284 3.513 0.000) 4.809 14.603 ( -0.731 17.814 0.000) 17.829 15.161 ( -6.686 7.999 0.000) 10.426 15.205 ( -6.188 7.131 0.000) 9.442 15.407 ( -1.560 -3.450 0.000) 3.786 15.422 ( -12.833 1.755 0.000) 12.953 15.489 ( -7.338 -11.518 0.000) 13.657 15.985 ( 9.400 -3.197 0.000) 9.929 16.129 ( 8.723 -4.458 0.000) 9.796 16.419 ( -1.963 7.535 0.000) 7.787 16.675 ( -4.786 -3.326 0.000) 5.828 17.994 ( 1.954 7.844 0.000) 8.083 18.410 ( 5.835 -11.613 0.000) 12.996 18.442 ( -3.872 8.582 0.000) 9.415 18.852 ( 3.250 -8.983 0.000) 9.553 ======================= Grid point 44 (27/192) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 16.025 11.503 0.000) 19.726 4.650 ( -7.257 15.955 0.000) 17.528 4.822 ( 19.931 -13.719 0.000) 24.196 5.167 ( -0.137 -6.939 0.000) 6.940 6.126 ( -2.297 14.348 0.000) 14.531 6.128 ( 11.430 28.086 0.000) 30.323 6.650 ( 14.484 -10.503 0.000) 17.891 7.261 ( 22.617 -27.073 0.000) 35.277 8.063 ( -35.195 33.398 0.000) 48.519 8.159 ( -22.188 42.056 0.000) 47.550 9.504 ( -23.420 -33.927 0.000) 41.225 10.039 ( -25.435 -38.617 0.000) 46.240 10.583 ( 15.223 12.164 0.000) 19.487 10.667 ( 11.948 -1.010 0.000) 11.990 11.185 ( 0.602 12.772 0.000) 12.786 11.627 ( -13.170 -10.751 0.000) 17.001 11.960 ( 24.390 13.420 0.000) 27.838 12.324 ( 17.590 16.363 0.000) 24.024 12.686 ( 14.495 -10.410 0.000) 17.845 12.859 ( 5.895 -3.853 0.000) 7.043 14.447 ( 5.862 6.745 0.000) 8.936 14.564 ( 5.829 3.227 0.000) 6.662 14.595 ( 0.238 14.493 0.000) 14.495 14.986 ( -9.657 9.578 0.000) 13.601 15.049 ( -8.502 8.961 0.000) 12.352 15.170 ( -11.836 0.280 0.000) 11.840 15.355 ( -3.348 -5.819 0.000) 6.713 15.367 ( -5.050 -14.108 0.000) 14.985 16.123 ( 4.992 0.713 0.000) 5.042 16.300 ( 7.220 -5.244 0.000) 8.923 16.379 ( -2.056 2.434 0.000) 3.186 16.547 ( -7.015 -4.758 0.000) 8.476 18.056 ( 4.227 10.128 0.000) 10.975 18.358 ( -4.420 12.275 0.000) 13.046 18.565 ( 9.023 -13.180 0.000) 15.973 18.899 ( 0.767 -11.551 0.000) 11.577 ======================= Grid point 45 (28/192) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.430 ( 9.548 20.905 0.000) 22.982 4.547 ( -3.914 21.650 0.000) 22.001 5.100 ( 7.849 -7.991 0.000) 11.201 5.170 ( -0.405 -6.832 0.000) 6.844 6.174 ( 6.945 20.936 0.000) 22.058 6.281 ( 0.847 28.312 0.000) 28.325 7.025 ( 20.753 -9.550 0.000) 22.845 7.406 ( -17.605 -1.213 0.000) 17.647 7.633 ( 2.224 8.554 0.000) 8.839 7.772 ( -14.024 26.133 0.000) 29.658 9.217 ( -0.401 -39.766 0.000) 39.768 9.499 ( -24.494 -41.287 0.000) 48.006 10.876 ( 13.120 5.720 0.000) 14.313 10.995 ( 18.182 -3.126 0.000) 18.449 11.097 ( -8.451 6.005 0.000) 10.367 11.339 ( -15.840 -7.011 0.000) 17.322 12.442 ( 22.030 16.707 0.000) 27.648 12.647 ( 10.588 14.879 0.000) 18.262 12.829 ( -7.258 8.950 0.000) 11.523 12.840 ( 0.217 3.429 0.000) 3.436 14.566 ( 5.354 5.922 0.000) 7.983 14.615 ( 0.835 8.426 0.000) 8.468 14.696 ( 6.839 3.584 0.000) 7.722 14.816 ( -6.601 9.049 0.000) 11.201 14.909 ( -4.122 7.658 0.000) 8.697 14.959 ( -8.488 1.266 0.000) 8.582 15.292 ( -2.125 -13.515 0.000) 13.681 15.293 ( -2.138 -10.160 0.000) 10.382 16.210 ( 4.330 1.833 0.000) 4.702 16.308 ( -5.163 0.750 0.000) 5.217 16.402 ( 3.126 -6.119 0.000) 6.871 16.448 ( -2.511 -5.697 0.000) 6.226 18.156 ( 5.460 12.608 0.000) 13.740 18.264 ( -5.101 13.708 0.000) 14.626 18.743 ( 8.113 -13.961 0.000) 16.147 18.868 ( -4.006 -13.372 0.000) 13.959 ======================= Grid point 49 (29/192) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 0.000 -6.315 0.000) 6.315 3.810 ( 0.000 6.315 0.000) 6.315 5.072 ( 0.000 -2.151 0.000) 2.151 5.072 ( 0.000 2.151 0.000) 2.151 6.199 ( 0.000 -14.971 0.000) 14.971 6.199 ( 0.000 14.971 0.000) 14.971 6.380 ( 0.000 -0.802 0.000) 0.802 6.380 ( 0.000 0.802 0.000) 0.802 9.668 ( 0.000 -39.488 0.000) 39.488 9.668 ( 0.000 39.488 0.000) 39.488 9.682 ( 0.000 -25.255 0.000) 25.255 9.682 ( 0.000 25.255 0.000) 25.255 10.728 ( 0.000 -19.779 0.000) 19.779 10.728 ( 0.000 19.779 0.000) 19.779 11.513 ( 0.000 -25.000 0.000) 25.000 11.513 ( 0.000 25.000 0.000) 25.000 11.562 ( 0.000 -31.688 0.000) 31.688 11.562 ( 0.000 31.688 0.000) 31.688 12.109 ( 0.000 -9.245 0.000) 9.245 12.109 ( 0.000 9.245 0.000) 9.245 14.434 ( 0.000 -3.412 0.000) 3.412 14.434 ( 0.000 3.412 0.000) 3.412 14.999 ( 0.000 -18.407 0.000) 18.407 14.999 ( 0.000 18.407 0.000) 18.407 15.361 ( 0.000 -3.289 0.000) 3.289 15.361 ( 0.000 3.289 0.000) 3.289 15.659 ( 0.000 -5.599 0.000) 5.599 15.659 ( 0.000 5.599 0.000) 5.599 15.832 ( 0.000 -11.521 0.000) 11.521 15.832 ( 0.000 11.521 0.000) 11.521 16.629 ( 0.000 -7.113 0.000) 7.113 16.629 ( 0.000 7.113 0.000) 7.113 18.142 ( 0.000 -9.210 0.000) 9.210 18.142 ( 0.000 9.210 0.000) 9.210 18.640 ( 0.000 -8.321 0.000) 8.321 18.640 ( 0.000 8.321 0.000) 8.321 ======================= Grid point 51 (30/192) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 19.171 -13.024 0.000) 23.176 4.016 ( 19.171 13.024 0.000) 23.176 5.019 ( -4.039 -8.480 0.000) 9.393 5.019 ( -4.039 8.480 0.000) 9.393 6.362 ( 14.627 -20.415 0.000) 25.114 6.362 ( 14.627 20.415 0.000) 25.114 6.370 ( -0.441 -5.418 0.000) 5.436 6.370 ( -0.441 5.418 0.000) 5.436 9.388 ( -26.305 -29.503 0.000) 39.527 9.388 ( -26.305 29.503 0.000) 39.527 9.542 ( -14.178 -45.363 0.000) 47.527 9.542 ( -14.178 45.363 0.000) 47.527 10.606 ( -4.033 -8.809 0.000) 9.689 10.606 ( -4.033 8.809 0.000) 9.689 11.527 ( -3.707 -19.996 0.000) 20.337 11.527 ( -3.707 19.996 0.000) 20.337 11.833 ( 25.000 -24.361 0.000) 34.906 11.833 ( 25.000 24.361 0.000) 34.906 12.305 ( 16.893 -15.619 0.000) 23.007 12.305 ( 16.893 15.619 0.000) 23.007 14.467 ( 3.262 -3.380 0.000) 4.697 14.467 ( 3.262 3.380 0.000) 4.697 14.976 ( -2.305 -17.714 0.000) 17.863 14.976 ( -2.305 17.714 0.000) 17.863 15.327 ( -3.453 -4.678 0.000) 5.814 15.327 ( -3.453 4.678 0.000) 5.814 15.446 ( -13.342 -1.611 0.000) 13.439 15.446 ( -13.342 1.611 0.000) 13.439 16.017 ( 10.651 -5.269 0.000) 11.883 16.017 ( 10.651 5.269 0.000) 11.883 16.572 ( -5.244 -6.686 0.000) 8.497 16.572 ( -5.244 6.686 0.000) 8.497 18.182 ( 3.953 -10.318 0.000) 11.049 18.182 ( 3.953 10.318 0.000) 11.049 18.643 ( 0.130 -10.601 0.000) 10.602 18.643 ( 0.130 10.601 0.000) 10.602 ======================= Grid point 53 (31/192) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.474 ( 23.377 -18.093 0.000) 29.560 4.474 ( 23.377 18.093 0.000) 29.560 4.957 ( -1.671 -13.159 0.000) 13.265 4.957 ( -1.671 13.159 0.000) 13.265 6.402 ( 5.062 -12.653 0.000) 13.628 6.402 ( 5.062 12.653 0.000) 13.628 6.698 ( 16.469 -27.511 0.000) 32.064 6.698 ( 16.469 27.511 0.000) 32.064 8.782 ( -30.344 -35.739 0.000) 46.883 8.782 ( -30.344 35.739 0.000) 46.883 9.112 ( -26.394 -47.734 0.000) 54.546 9.112 ( -26.394 47.734 0.000) 54.546 10.685 ( 10.383 -1.045 0.000) 10.436 10.685 ( 10.383 1.045 0.000) 10.436 11.410 ( -8.018 -10.187 0.000) 12.964 11.410 ( -8.018 10.187 0.000) 12.964 12.350 ( 24.754 -20.607 0.000) 32.209 12.350 ( 24.754 20.607 0.000) 32.209 12.660 ( 16.063 -14.446 0.000) 21.604 12.660 ( 16.063 14.446 0.000) 21.604 14.557 ( 5.453 -3.396 0.000) 6.424 14.557 ( 5.453 3.396 0.000) 6.424 14.909 ( -4.374 -14.796 0.000) 15.429 14.909 ( -4.374 14.796 0.000) 15.429 15.202 ( -10.347 -4.571 0.000) 11.312 15.202 ( -10.347 4.571 0.000) 11.312 15.223 ( -6.681 -7.444 0.000) 10.003 15.223 ( -6.681 7.444 0.000) 10.003 16.190 ( 6.481 -5.098 0.000) 8.246 16.190 ( 6.481 5.098 0.000) 8.246 16.451 ( -6.032 -4.377 0.000) 7.452 16.451 ( -6.032 4.377 0.000) 7.452 18.294 ( 6.962 -12.748 0.000) 14.526 18.294 ( 6.962 12.748 0.000) 14.526 18.632 ( -1.660 -13.815 0.000) 13.914 18.632 ( -1.660 13.815 0.000) 13.914 ======================= Grid point 55 (32/192) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( 11.004 -17.316 0.000) 20.517 4.834 ( 11.004 17.316 0.000) 20.517 4.938 ( -1.354 -15.601 0.000) 15.660 4.938 ( -1.354 15.601 0.000) 15.660 6.618 ( 15.928 -22.291 0.000) 27.396 6.618 ( 15.928 22.291 0.000) 27.396 6.872 ( -3.232 -29.260 0.000) 29.438 6.872 ( -3.232 29.260 0.000) 29.438 8.373 ( -5.038 -41.284 0.000) 41.590 8.373 ( -5.038 41.284 0.000) 41.590 8.595 ( -22.489 -45.001 0.000) 50.308 8.595 ( -22.489 45.001 0.000) 50.308 10.943 ( 13.989 -2.704 0.000) 14.248 10.943 ( 13.989 2.704 0.000) 14.248 11.208 ( -11.969 -5.650 0.000) 13.235 11.208 ( -11.969 5.650 0.000) 13.235 12.755 ( 14.135 -11.218 0.000) 18.046 12.755 ( 14.135 11.218 0.000) 18.046 12.868 ( 3.154 -5.247 0.000) 6.122 12.868 ( 3.154 5.247 0.000) 6.122 14.676 ( 6.290 -4.185 0.000) 7.555 14.676 ( 6.290 4.185 0.000) 7.555 14.802 ( -6.115 -8.330 0.000) 10.333 14.802 ( -6.115 8.330 0.000) 10.333 15.063 ( -2.872 -8.651 0.000) 9.115 15.063 ( -2.872 8.651 0.000) 9.115 15.092 ( -5.152 -9.529 0.000) 10.833 15.092 ( -5.152 9.529 0.000) 10.833 16.285 ( 3.439 -5.066 0.000) 6.123 16.285 ( 3.439 5.066 0.000) 6.123 16.352 ( -3.833 -3.477 0.000) 5.175 16.352 ( -3.833 3.477 0.000) 5.175 18.442 ( 7.292 -14.805 0.000) 16.503 18.442 ( 7.292 14.805 0.000) 16.503 18.567 ( -4.858 -15.306 0.000) 16.058 18.567 ( -4.858 15.306 0.000) 16.058 ======================= Grid point 105 (33/192) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 0.000 51.103) 51.103 1.085 ( 0.000 0.000 53.120) 53.120 1.974 ( 0.000 0.000 97.336) 97.336 5.178 ( 0.000 0.000 19.582) 19.582 5.409 ( 0.000 0.000 28.632) 28.632 5.545 ( 0.000 0.000 7.994) 7.994 5.977 ( 0.000 0.000 13.816) 13.816 6.136 ( 0.000 0.000 -6.572) 6.572 8.293 ( 0.000 0.000 9.591) 9.591 8.529 ( 0.000 0.000 -1.337) 1.337 9.371 ( 0.000 0.000 -13.011) 13.011 10.134 ( 0.000 0.000 13.070) 13.070 10.500 ( 0.000 0.000 -4.722) 4.722 10.689 ( 0.000 0.000 -12.449) 12.449 10.858 ( 0.000 0.000 2.415) 2.415 11.193 ( 0.000 0.000 8.010) 8.010 11.745 ( 0.000 0.000 -5.854) 5.854 12.777 ( 0.000 0.000 -2.904) 2.904 12.960 ( 0.000 0.000 0.835) 0.835 13.053 ( 0.000 0.000 -0.105) 0.105 13.240 ( 0.000 0.000 0.404) 0.404 13.679 ( 0.000 0.000 0.282) 0.282 13.692 ( 0.000 0.000 -2.927) 2.927 13.809 ( 0.000 0.000 -1.451) 1.451 14.358 ( 0.000 0.000 -4.041) 4.041 15.426 ( 0.000 0.000 -3.061) 3.061 15.435 ( 0.000 0.000 -6.209) 6.209 15.658 ( 0.000 0.000 -4.164) 4.164 16.133 ( 0.000 0.000 2.027) 2.027 16.521 ( 0.000 0.000 -5.953) 5.953 16.853 ( 0.000 0.000 -0.019) 0.019 17.039 ( 0.000 0.000 -0.933) 0.933 17.307 ( 0.000 0.000 -6.520) 6.520 17.616 ( 0.000 0.000 -36.684) 36.684 18.806 ( 0.000 0.000 21.701) 21.701 19.861 ( 0.000 0.000 -0.613) 0.613 ======================= Grid point 106 (34/192) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 54.756 0.000 29.718) 62.300 1.772 ( 45.727 0.000 42.091) 62.150 2.513 ( 53.742 0.000 68.592) 87.138 5.266 ( 0.253 0.000 11.608) 11.610 5.464 ( -3.744 0.000 25.158) 25.435 5.504 ( 2.706 0.000 5.441) 6.076 6.139 ( -1.216 0.000 -5.764) 5.891 6.157 ( 14.661 0.000 12.864) 19.505 8.186 ( -10.441 0.000 9.006) 13.788 8.188 ( -26.526 0.000 -0.711) 26.536 9.211 ( -16.945 0.000 -9.553) 19.452 9.424 ( -52.465 0.000 7.035) 52.934 10.360 ( 19.745 0.000 8.938) 21.674 10.983 ( 10.183 0.000 2.164) 10.410 11.179 ( 9.939 0.000 1.160) 10.007 11.380 ( 7.330 0.000 -9.952) 12.360 11.861 ( 10.813 0.000 -6.317) 12.523 12.861 ( -3.533 0.000 -2.567) 4.367 13.060 ( 0.726 0.000 -0.105) 0.734 13.200 ( 23.252 0.000 -8.957) 24.917 13.227 ( -1.226 0.000 0.389) 1.286 13.687 ( 0.732 0.000 0.213) 0.762 13.768 ( 7.437 0.000 -3.523) 8.229 13.806 ( -0.323 0.000 -1.357) 1.395 14.232 ( -12.364 0.000 2.321) 12.580 14.728 ( -20.007 0.000 18.192) 27.041 15.667 ( 1.335 0.000 -4.861) 5.041 15.733 ( -1.903 0.000 -6.210) 6.495 16.123 ( 8.097 0.000 -11.136) 13.769 16.539 ( 0.950 0.000 -2.712) 2.874 16.857 ( 0.424 0.000 -0.070) 0.430 17.025 ( -1.309 0.000 -0.897) 1.587 17.291 ( -8.179 0.000 -27.099) 28.306 17.865 ( 11.258 0.000 -22.303) 24.984 18.834 ( 5.202 0.000 17.557) 18.311 19.736 ( -7.380 0.000 3.447) 8.145 ======================= Grid point 107 (35/192) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 42.997 0.000 41.557) 59.797 2.919 ( 61.714 0.000 15.767) 63.696 3.827 ( 67.385 0.000 35.579) 76.201 5.006 ( -21.349 0.000 20.682) 29.724 5.435 ( 2.655 0.000 24.773) 24.914 5.641 ( 7.583 0.000 -0.757) 7.620 5.951 ( -21.957 0.000 -1.950) 22.043 6.486 ( 18.740 0.000 15.414) 24.265 7.759 ( -10.503 0.000 -1.926) 10.678 7.882 ( -19.950 0.000 7.884) 21.451 8.362 ( -55.492 0.000 7.176) 55.954 8.764 ( -25.592 0.000 -6.749) 26.467 10.779 ( 19.846 0.000 5.152) 20.503 11.174 ( 7.296 0.000 2.116) 7.596 11.342 ( 6.594 0.000 -3.857) 7.639 11.442 ( 1.636 0.000 -6.285) 6.494 12.088 ( 11.183 0.000 -4.257) 11.966 12.727 ( -9.000 0.000 0.391) 9.008 13.081 ( 1.307 0.000 -0.080) 1.309 13.194 ( -2.010 0.000 0.324) 2.036 13.551 ( 11.578 0.000 -0.746) 11.602 13.708 ( 1.353 0.000 0.006) 1.353 13.794 ( -0.870 0.000 -1.094) 1.398 13.928 ( 2.387 0.000 -3.415) 4.166 14.051 ( 1.393 0.000 3.012) 3.319 14.550 ( -3.776 0.000 0.946) 3.893 15.654 ( -2.442 0.000 -4.006) 4.692 15.700 ( 0.890 0.000 -4.143) 4.237 16.294 ( 6.075 0.000 -18.158) 19.147 16.574 ( 1.469 0.000 -6.240) 6.410 16.871 ( 1.070 0.000 -0.213) 1.091 16.989 ( -2.179 0.000 -0.790) 2.318 17.132 ( -3.368 0.000 -16.694) 17.030 17.860 ( -9.324 0.000 -7.670) 12.073 19.029 ( 12.539 0.000 6.562) 14.152 19.610 ( -5.960 0.000 1.046) 6.051 ======================= Grid point 108 (36/192) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 40.991 0.000 34.600) 53.642 4.135 ( 58.854 0.000 8.800) 59.509 4.236 ( -30.166 0.000 30.615) 42.980 5.191 ( 32.197 0.000 17.805) 36.792 5.223 ( -48.113 0.000 3.693) 48.254 5.459 ( -2.475 0.000 20.692) 20.840 5.971 ( 37.098 0.000 8.276) 38.010 6.856 ( 2.307 0.000 15.944) 16.110 7.193 ( -38.816 0.000 4.311) 39.055 7.473 ( -25.989 0.000 10.473) 28.020 7.830 ( 15.010 0.000 -4.485) 15.665 8.248 ( -24.813 0.000 -5.641) 25.446 11.102 ( 11.772 0.000 3.420) 12.258 11.236 ( -1.571 0.000 2.529) 2.978 11.439 ( 3.032 0.000 -6.662) 7.319 11.465 ( 0.271 0.000 -6.375) 6.381 12.307 ( 10.881 0.000 -1.855) 11.038 12.525 ( -10.765 0.000 0.098) 10.766 13.112 ( 1.773 0.000 0.020) 1.773 13.151 ( -2.116 0.000 0.186) 2.124 13.721 ( 6.759 0.000 3.942) 7.825 13.739 ( 1.663 0.000 -0.322) 1.694 13.771 ( -1.458 0.000 -0.719) 1.626 13.846 ( -5.808 0.000 2.105) 6.178 14.248 ( 11.945 0.000 -5.083) 12.981 14.451 ( -7.492 0.000 -5.103) 9.065 15.652 ( 1.949 0.000 -3.943) 4.398 15.697 ( -1.579 0.000 -4.071) 4.366 16.388 ( 4.980 0.000 -18.124) 18.796 16.513 ( -6.652 0.000 -17.190) 18.432 16.900 ( 1.843 0.000 -0.413) 1.889 16.943 ( -2.339 0.000 -0.621) 2.420 17.259 ( 14.189 0.000 -3.443) 14.600 17.585 ( -16.499 0.000 -2.386) 16.670 19.277 ( 11.433 0.000 1.582) 11.541 19.473 ( -8.167 0.000 0.163) 8.169 ======================= Grid point 112 (37/192) ======================= q-point: ( 0.00 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 45.061 41.249) 61.090 1.780 ( 0.000 53.980 31.434) 62.466 2.504 ( 0.000 53.491 68.044) 86.552 5.194 ( 0.000 1.576 19.552) 19.616 5.412 ( 0.000 0.392 28.072) 28.074 5.595 ( 0.000 5.093 8.583) 9.981 6.025 ( 0.000 5.500 15.849) 16.776 6.324 ( 0.000 17.460 -5.470) 18.297 8.021 ( 0.000 -24.376 9.094) 26.017 8.415 ( 0.000 -12.821 2.503) 13.063 9.204 ( 0.000 -16.755 -6.921) 18.129 9.742 ( 0.000 -25.428 1.256) 25.459 10.261 ( 0.000 2.085 10.274) 10.483 10.919 ( 0.000 0.194 3.508) 3.513 11.049 ( 0.000 21.289 -2.120) 21.394 11.306 ( 0.000 12.011 3.946) 12.643 11.843 ( 0.000 11.383 -7.352) 13.551 12.698 ( 0.000 -9.191 -3.488) 9.831 12.814 ( 0.000 -8.198 -0.821) 8.239 13.023 ( 0.000 -2.587 1.172) 2.840 13.343 ( 0.000 9.174 -0.688) 9.199 13.522 ( 0.000 -1.252 -10.803) 10.875 13.696 ( 0.000 -6.935 1.236) 7.044 14.055 ( 0.000 8.425 -0.092) 8.425 14.626 ( 0.000 18.321 -3.449) 18.643 15.430 ( 0.000 0.598 -1.969) 2.058 15.606 ( 0.000 3.857 -10.570) 11.252 15.763 ( 0.000 9.143 -6.950) 11.484 16.176 ( 0.000 4.516 0.430) 4.536 16.410 ( 0.000 -11.422 -11.018) 15.870 16.653 ( 0.000 -6.252 -0.918) 6.319 17.010 ( 0.000 -3.037 -1.744) 3.502 17.592 ( 0.000 -1.994 -35.084) 35.141 17.787 ( 0.000 27.960 -15.053) 31.755 18.757 ( 0.000 -4.555 21.096) 21.582 19.531 ( 0.000 -19.632 12.210) 23.119 ======================= Grid point 113 (38/192) ======================= q-point: ( 0.14 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 22.716 25.225 33.134) 47.436 2.265 ( 27.708 27.145 54.959) 67.269 3.274 ( 60.729 59.416 34.981) 91.880 5.252 ( 1.156 -0.572 13.100) 13.163 5.446 ( 0.995 -1.198 23.112) 23.165 5.498 ( -8.148 0.797 9.125) 12.260 5.951 ( -3.775 -4.275 15.820) 16.816 6.556 ( 16.124 24.575 -2.184) 29.473 7.851 ( -14.977 -26.884 8.307) 31.876 7.999 ( -30.533 -16.344 3.058) 34.767 9.208 ( -2.471 -4.115 -6.327) 7.942 9.652 ( -33.705 19.215 1.299) 38.819 10.172 ( 20.585 -15.701 7.037) 26.828 10.937 ( 3.578 -5.038 1.479) 6.354 11.279 ( 9.901 7.811 -0.064) 12.611 11.434 ( 7.565 8.227 -2.810) 11.524 11.892 ( 6.948 7.480 -4.031) 10.976 12.757 ( -4.468 -11.965 0.662) 12.790 12.826 ( 9.520 -12.384 -1.342) 15.678 13.042 ( 1.775 -1.534 1.111) 2.596 13.329 ( -1.157 8.259 -0.987) 8.398 13.562 ( 2.799 -4.225 -8.728) 10.093 13.700 ( 1.212 -5.446 0.049) 5.580 14.087 ( 2.917 7.639 -0.575) 8.197 14.588 ( -3.941 18.027 -3.360) 18.756 14.925 ( -27.288 14.943 7.482) 31.999 15.736 ( 1.790 1.238 -6.544) 6.897 15.762 ( -0.516 6.904 -5.306) 8.723 16.169 ( 4.665 3.972 -11.181) 12.750 16.497 ( 4.103 -5.647 -3.124) 7.648 16.662 ( 0.463 -10.295 -4.099) 11.090 17.005 ( -0.522 -2.126 -1.435) 2.617 17.432 ( -9.293 6.365 -26.514) 28.808 17.966 ( 4.574 9.617 -14.476) 17.971 18.805 ( 6.938 -2.498 15.307) 16.990 19.547 ( 0.565 -13.883 5.771) 15.045 ======================= Grid point 114 (39/192) ======================= q-point: ( 0.29 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 52.171 -7.881 21.688) 57.047 2.935 ( 38.284 14.031 46.790) 62.063 4.549 ( 58.597 50.814 20.300) 80.174 5.044 ( -18.780 3.476 20.383) 27.932 5.407 ( -8.565 -13.186 3.466) 16.100 5.437 ( 4.655 -2.214 17.911) 18.638 5.859 ( -5.912 -4.925 16.789) 18.468 6.735 ( -0.968 10.458 2.420) 10.778 7.473 ( -21.512 -28.188 7.045) 36.152 7.607 ( -3.114 -0.265 3.361) 4.589 8.812 ( -42.226 33.440 1.585) 53.886 9.064 ( -14.980 18.460 -3.375) 24.012 10.636 ( 21.625 -12.798 3.636) 25.390 11.046 ( 5.888 -11.658 1.186) 13.114 11.425 ( 5.275 4.710 -4.408) 8.333 11.493 ( 0.539 4.974 -5.912) 7.746 12.084 ( 9.950 1.937 -1.213) 10.209 12.621 ( -8.348 -8.851 1.730) 12.289 13.016 ( 7.583 -15.671 2.205) 17.548 13.091 ( 3.088 -2.186 2.134) 4.344 13.309 ( -0.418 5.489 -1.255) 5.646 13.560 ( -3.257 -10.198 -1.928) 10.878 13.808 ( 9.623 -2.690 -4.435) 10.931 14.156 ( 3.520 8.349 -0.919) 9.107 14.461 ( -8.063 20.560 -0.472) 22.090 14.557 ( -11.111 4.262 1.336) 11.975 15.721 ( -0.541 5.660 -4.889) 7.499 15.779 ( 0.795 7.307 -4.365) 8.548 16.281 ( 4.626 -1.180 -17.122) 17.775 16.563 ( 0.486 -1.251 -6.412) 6.551 16.693 ( 4.995 -10.917 -3.611) 12.537 16.985 ( -1.566 -0.618 -1.006) 1.961 17.286 ( -3.694 8.785 -14.610) 17.443 17.880 ( -10.937 2.006 -3.759) 11.738 19.024 ( 12.914 -0.269 4.661) 13.732 19.529 ( -2.591 -7.028 0.639) 7.518 ======================= Grid point 115 (40/192) ======================= q-point: ( 0.43 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 42.607 -4.636 23.860) 49.052 3.747 ( 36.947 -10.801 31.337) 49.636 4.472 ( -21.783 9.840 21.063) 31.859 4.889 ( -38.774 -20.008 8.418) 44.436 5.415 ( 11.210 7.931 15.563) 20.755 5.534 ( -1.703 1.774 18.177) 18.343 6.208 ( 50.474 23.166 9.219) 56.297 6.739 ( 4.387 -20.626 5.579) 21.813 7.076 ( -16.396 -18.804 7.800) 26.139 7.350 ( -38.462 31.104 9.099) 50.295 8.331 ( 6.698 34.931 -1.495) 35.599 8.692 ( -21.330 30.034 -2.838) 36.947 10.981 ( 12.192 -10.435 2.367) 16.222 11.110 ( -0.839 -11.205 1.961) 11.406 11.493 ( 1.660 1.785 -6.951) 7.366 11.502 ( 0.372 1.838 -7.221) 7.460 12.266 ( 8.600 -2.024 0.222) 8.837 12.442 ( -9.109 -6.056 1.459) 11.035 13.110 ( 2.800 -2.496 1.642) 4.094 13.140 ( 0.391 -3.870 3.032) 4.932 13.346 ( 4.601 -5.964 -0.148) 7.534 13.461 ( -6.007 -11.476 0.202) 12.954 14.039 ( 12.268 0.439 -3.525) 12.772 14.204 ( -0.636 15.559 0.519) 15.581 14.332 ( -4.138 6.239 -3.801) 8.396 14.369 ( -7.406 -1.726 -2.842) 8.119 15.737 ( 1.816 7.403 -4.282) 8.742 15.774 ( -1.332 7.090 -4.155) 8.325 16.368 ( 5.027 -1.893 -17.512) 18.317 16.487 ( -6.188 -2.434 -16.674) 17.951 16.839 ( 6.797 -4.516 -0.661) 8.187 16.937 ( -3.386 -0.805 -0.815) 3.575 17.341 ( 9.416 6.251 -3.854) 11.941 17.605 ( -15.064 1.956 -1.018) 15.224 19.266 ( 10.648 -0.890 0.568) 10.700 19.438 ( -6.519 -3.093 -0.551) 7.236 ======================= Grid point 119 (41/192) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 0.000 40.686 41.351) 58.011 2.983 ( 0.000 59.973 17.211) 62.394 3.866 ( 0.000 68.748 35.363) 77.310 5.245 ( 0.000 3.474 19.648) 19.953 5.426 ( 0.000 0.920 26.726) 26.742 5.752 ( 0.000 10.016 8.353) 13.042 6.194 ( 0.000 10.187 16.576) 19.456 6.785 ( 0.000 24.927 -3.408) 25.159 7.412 ( 0.000 -31.715 8.688) 32.884 8.086 ( 0.000 -15.959 4.317) 16.533 8.710 ( 0.000 -28.894 -0.016) 28.894 9.257 ( 0.000 -20.731 -1.298) 20.771 10.554 ( 0.000 18.060 -3.632) 18.421 10.910 ( 0.000 2.170 6.033) 6.411 11.327 ( 0.000 5.267 -4.695) 7.056 11.667 ( 0.000 18.094 2.614) 18.282 12.122 ( 0.000 13.136 -7.497) 15.125 12.508 ( 0.000 -4.262 -5.754) 7.160 12.738 ( 0.000 0.857 2.874) 3.000 12.964 ( 0.000 -2.866 3.192) 4.290 13.529 ( 0.000 1.771 -10.787) 10.932 13.555 ( 0.000 -3.679 -0.913) 3.791 13.590 ( 0.000 11.189 -0.943) 11.228 14.115 ( 0.000 -0.698 3.869) 3.932 14.921 ( 0.000 8.925 -2.930) 9.394 15.460 ( 0.000 2.278 1.836) 2.926 15.650 ( 0.000 1.308 -9.025) 9.120 15.817 ( 0.000 -3.774 -1.750) 4.160 16.200 ( 0.000 -6.176 -13.590) 14.928 16.325 ( 0.000 9.503 -3.591) 10.159 16.557 ( 0.000 -4.951 2.709) 5.643 16.900 ( 0.000 -7.929 -4.614) 9.174 17.559 ( 0.000 -0.526 -29.021) 29.026 18.274 ( 0.000 19.700 -12.817) 23.502 18.632 ( 0.000 -7.157 18.843) 20.157 19.212 ( 0.000 -12.381 5.288) 13.463 ======================= Grid point 120 (42/192) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -7.505 49.513 21.983) 54.691 2.960 ( 12.785 41.095 46.411) 63.295 4.519 ( 47.219 52.678 20.732) 73.719 5.293 ( 3.945 6.535 16.871) 18.518 5.447 ( 1.667 2.258 24.785) 24.943 5.545 ( -18.877 3.690 2.434) 19.387 5.975 ( -12.862 6.232 26.197) 29.842 6.980 ( -1.567 2.362 -6.463) 7.057 7.356 ( -0.409 -7.381 11.842) 13.960 7.681 ( -19.076 -9.210 3.008) 21.395 8.930 ( 16.992 -22.373 -0.046) 28.094 9.665 ( 28.521 -17.578 -1.708) 33.547 10.294 ( -22.952 27.240 -0.090) 35.621 10.845 ( -3.493 -2.653 2.142) 4.881 11.396 ( 3.967 1.084 -5.699) 7.028 11.695 ( 0.344 14.211 0.667) 14.231 12.108 ( 0.359 10.112 -4.593) 11.112 12.539 ( 0.999 -3.826 -1.691) 4.301 12.711 ( -0.451 -2.943 1.683) 3.420 13.026 ( 5.174 0.747 2.886) 5.971 13.467 ( -4.345 -0.860 -2.754) 5.216 13.512 ( -3.639 0.404 -2.234) 4.289 13.662 ( 5.172 6.857 -5.678) 10.296 14.146 ( 2.869 0.205 2.341) 3.708 14.822 ( -9.186 5.963 -3.274) 11.430 15.158 ( -19.672 7.625 3.706) 21.421 15.735 ( 4.139 -1.553 -8.697) 9.756 15.896 ( 4.427 3.587 -2.202) 6.109 16.209 ( 1.164 -2.616 -13.444) 13.745 16.401 ( 6.423 2.612 -4.405) 8.214 16.531 ( -1.852 -4.985 -0.048) 5.318 16.925 ( 1.894 -5.956 -3.215) 7.028 17.502 ( -4.537 2.189 -24.775) 25.282 18.178 ( -9.713 8.223 -1.411) 12.804 18.764 ( 12.114 -0.278 6.466) 13.734 19.281 ( 5.239 -11.543 2.529) 12.926 ======================= Grid point 121 (43/192) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 21.930 23.234 21.140) 38.309 3.378 ( 25.495 27.146 44.051) 57.684 5.017 ( -16.669 -9.947 -2.757) 19.606 5.130 ( -13.558 3.736 19.869) 24.342 5.427 ( 1.314 -0.713 22.442) 22.491 5.578 ( 6.739 23.080 20.360) 31.506 5.900 ( 21.374 13.685 19.759) 32.165 6.682 ( -20.135 -6.488 -2.816) 21.341 7.035 ( -9.608 -5.396 10.589) 15.282 7.975 ( 24.803 27.998 2.775) 37.507 9.218 ( 8.320 -3.516 -1.540) 9.163 9.595 ( -33.212 36.770 -0.257) 49.549 10.320 ( 24.227 -14.592 1.052) 28.302 10.808 ( -0.029 -8.410 1.382) 8.523 11.442 ( 0.614 -4.477 -7.838) 9.048 11.629 ( -6.004 8.586 -4.972) 11.597 12.168 ( 4.697 3.664 0.927) 6.029 12.484 ( -5.419 -2.046 3.571) 6.805 12.785 ( 6.895 -8.640 0.464) 11.064 13.140 ( 5.569 6.500 2.680) 8.969 13.345 ( -7.517 -11.518 0.753) 13.774 13.446 ( -3.019 6.203 -1.639) 7.091 13.793 ( 8.291 4.224 -6.523) 11.364 14.217 ( 3.823 0.440 -0.970) 3.969 14.598 ( -12.013 3.739 -3.154) 12.970 14.810 ( -14.733 9.432 2.750) 17.708 15.813 ( 3.717 1.357 -6.128) 7.295 15.948 ( 0.822 7.033 -3.180) 7.762 16.244 ( 2.360 -2.567 -14.116) 14.540 16.481 ( -1.449 -6.334 -10.751) 12.562 16.573 ( 8.617 0.158 -0.862) 8.661 16.948 ( -0.133 -3.366 -1.268) 3.600 17.428 ( -1.719 5.595 -14.832) 15.945 17.931 ( -13.804 2.378 3.163) 14.360 19.030 ( 12.859 1.003 -0.289) 12.902 19.364 ( 2.340 -8.294 -0.943) 8.669 ======================= Grid point 122 (44/192) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 37.270 -5.047 18.552) 41.937 3.794 ( 4.319 3.958 33.860) 34.363 4.540 ( -13.174 -1.075 8.839) 15.901 4.780 ( -22.520 12.155 23.723) 34.895 5.440 ( 1.395 -1.499 18.785) 18.896 5.502 ( -4.929 -4.092 16.652) 17.842 6.280 ( 5.231 -15.312 9.190) 18.608 6.379 ( -8.614 -12.113 4.958) 15.669 7.400 ( 41.582 46.647 8.033) 63.005 8.157 ( -19.540 41.343 4.320) 45.932 9.071 ( -3.973 34.984 -0.720) 35.216 9.229 ( -8.778 18.774 -0.751) 20.739 10.712 ( 12.989 -14.316 1.235) 19.370 10.826 ( 0.063 -13.904 2.255) 14.086 11.442 ( 0.595 -6.709 -8.909) 11.168 11.505 ( -5.487 0.390 -8.140) 9.824 12.264 ( 4.810 0.419 2.729) 5.546 12.368 ( -5.665 -0.932 3.698) 6.829 12.951 ( 9.239 -10.360 1.871) 14.007 13.136 ( -8.318 -4.783 2.658) 9.957 13.286 ( 4.161 -0.720 0.580) 4.263 13.376 ( -4.148 6.069 -0.067) 7.351 13.999 ( 11.986 0.583 -6.079) 13.452 14.225 ( -7.372 -3.025 -5.664) 9.777 14.436 ( 0.564 7.772 -0.177) 7.795 14.565 ( -9.819 7.796 0.268) 12.541 15.882 ( 3.102 4.530 -4.274) 6.957 15.934 ( -1.928 6.493 -3.495) 7.622 16.315 ( 4.793 -3.092 -15.356) 16.381 16.417 ( -4.729 -4.251 -15.587) 16.834 16.760 ( 9.015 -2.556 -0.952) 9.419 16.902 ( -4.752 -2.587 -0.668) 5.451 17.468 ( 6.120 5.874 -4.740) 9.717 17.661 ( -12.408 3.158 1.099) 12.851 19.246 ( 8.426 -0.964 -1.989) 8.711 19.360 ( -2.893 -4.270 -2.250) 5.627 ======================= Grid point 126 (45/192) ======================= q-point: ( 0.00 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 0.000 40.192 31.776) 51.236 4.138 ( 0.000 48.591 11.622) 49.962 4.961 ( 0.000 27.439 27.641) 38.948 5.349 ( 0.000 7.103 19.503) 20.756 5.455 ( 0.000 3.058 23.431) 23.630 5.963 ( 0.000 6.980 0.755) 7.021 6.449 ( 0.000 11.751 25.358) 27.949 6.939 ( 0.000 -0.172 7.798) 7.800 7.190 ( 0.000 9.714 -1.612) 9.847 7.887 ( 0.000 -0.630 0.773) 0.997 8.123 ( 0.000 -26.130 3.771) 26.401 9.001 ( 0.000 0.544 -0.264) 0.605 10.673 ( 0.000 -3.231 -6.607) 7.355 11.204 ( 0.000 20.986 4.336) 21.429 11.259 ( 0.000 -10.385 -6.375) 12.186 11.880 ( 0.000 0.845 1.425) 1.657 12.298 ( 0.000 2.681 -6.277) 6.825 12.540 ( 0.000 5.691 -2.820) 6.352 12.877 ( 0.000 8.162 6.852) 10.657 12.902 ( 0.000 -3.466 1.998) 4.001 13.485 ( 0.000 3.039 -5.958) 6.689 13.623 ( 0.000 8.107 -6.937) 10.670 13.908 ( 0.000 17.637 -3.356) 17.953 14.066 ( 0.000 -3.230 3.274) 4.599 15.013 ( 0.000 1.344 -3.904) 4.129 15.510 ( 0.000 2.343 5.126) 5.636 15.602 ( 0.000 -6.930 -8.855) 11.245 15.752 ( 0.000 0.613 -8.210) 8.232 16.155 ( 0.000 0.526 -4.193) 4.226 16.436 ( 0.000 -6.589 6.116) 8.990 16.482 ( 0.000 0.725 -11.823) 11.845 16.715 ( 0.000 -6.264 -2.253) 6.657 17.589 ( 0.000 3.440 -19.674) 19.973 18.486 ( 0.000 -6.431 13.935) 15.347 18.603 ( 0.000 12.126 -10.437) 15.999 18.983 ( 0.000 -10.363 -1.341) 10.449 ======================= Grid point 127 (46/192) ======================= q-point: ( 0.14 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -3.235 40.027 21.057) 45.343 3.943 ( -8.990 50.921 30.876) 60.225 4.972 ( 2.008 -3.332 16.362) 16.819 5.405 ( 0.834 1.169 20.788) 20.838 5.605 ( -27.928 0.819 1.933) 28.007 5.724 ( 17.450 13.541 19.276) 29.317 6.181 ( -17.193 7.587 26.833) 32.759 6.953 ( 6.752 23.595 1.199) 24.572 7.409 ( -20.448 7.321 6.289) 22.611 7.785 ( 29.250 7.787 1.257) 30.295 8.393 ( 23.126 -26.607 3.776) 35.454 9.423 ( 31.442 -0.378 -1.562) 31.483 10.653 ( -2.764 0.916 -6.928) 7.515 10.986 ( -16.170 16.935 3.984) 23.751 11.297 ( -0.418 -6.321 -6.099) 8.793 11.903 ( 1.362 2.567 1.053) 3.091 12.244 ( -4.918 3.001 -5.531) 7.987 12.534 ( -0.448 -0.582 -1.507) 1.677 12.692 ( -10.004 2.260 2.953) 10.672 13.023 ( 2.790 -6.896 5.439) 9.215 13.438 ( -2.467 9.512 -3.707) 10.502 13.645 ( 1.892 10.514 -5.673) 12.096 13.919 ( 1.243 15.740 -4.392) 16.389 14.133 ( 5.466 -1.034 1.365) 5.728 14.889 ( -10.514 1.733 -4.059) 11.403 15.268 ( -16.596 3.708 3.833) 17.432 15.649 ( 3.908 -6.366 -6.901) 10.170 15.909 ( 8.709 -0.606 -6.548) 10.913 16.174 ( 1.105 0.027 -6.119) 6.218 16.372 ( -2.744 -7.754 -3.896) 9.101 16.539 ( 3.389 2.954 -4.643) 6.463 16.773 ( 4.527 -6.772 -0.755) 8.180 17.569 ( -1.547 4.688 -17.468) 18.153 18.251 ( -14.651 -0.241 7.092) 16.279 18.813 ( 12.585 3.681 -5.285) 14.137 19.067 ( 6.950 -9.258 -1.096) 11.628 ======================= Grid point 128 (47/192) ======================= q-point: ( 0.29 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -6.086 34.355 14.537) 37.797 3.984 ( 6.000 29.380 40.651) 50.514 4.851 ( -20.473 -3.140 -1.252) 20.750 5.142 ( -3.771 -3.730 18.556) 19.299 5.420 ( -0.701 1.463 18.643) 18.713 5.782 ( -17.663 3.577 21.470) 28.031 6.012 ( 4.627 3.028 20.334) 21.072 6.690 ( -27.036 5.260 -0.877) 27.557 7.586 ( 36.328 47.345 9.173) 60.377 8.440 ( 29.559 11.017 1.861) 31.601 8.914 ( 26.121 -20.403 2.324) 33.226 9.994 ( 18.001 3.478 -3.627) 18.689 10.454 ( -15.175 24.747 -1.557) 29.071 10.729 ( -6.008 1.256 2.471) 6.617 11.255 ( -2.470 -10.120 -7.404) 12.780 11.860 ( -8.022 10.942 -3.501) 14.012 12.166 ( -0.521 -3.745 -0.922) 3.892 12.498 ( -8.595 -4.885 1.506) 10.000 12.543 ( 1.392 -7.442 1.289) 7.680 12.966 ( -7.526 -19.820 2.126) 21.307 13.461 ( 4.404 20.535 1.596) 21.063 13.678 ( 0.724 15.857 -1.843) 15.980 13.968 ( 4.128 11.265 -6.737) 13.759 14.239 ( 4.176 1.806 -2.131) 5.024 14.668 ( -10.067 3.506 -3.099) 11.101 14.944 ( -15.004 4.780 2.728) 15.981 15.749 ( 5.861 -6.826 -5.027) 10.306 16.011 ( 1.132 -1.380 -4.419) 4.765 16.197 ( 1.815 -1.225 -7.907) 8.205 16.349 ( -0.334 -6.725 -11.983) 13.745 16.619 ( 4.759 1.989 -2.843) 5.890 16.846 ( 1.935 -5.813 1.090) 6.222 17.549 ( 0.046 6.578 -11.886) 13.585 17.962 ( -13.620 0.845 4.876) 14.491 19.053 ( 10.717 0.140 -5.665) 12.123 19.202 ( 5.636 -6.989 -2.133) 9.228 ======================= Grid point 129 (48/192) ======================= q-point: ( 0.43 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 14.242 11.723 16.298) 24.615 3.804 ( -22.843 0.452 21.426) 31.322 4.763 ( 13.894 20.404 18.414) 30.797 5.084 ( -10.624 14.447 22.198) 28.537 5.375 ( -0.479 -2.473 12.860) 13.104 5.478 ( -9.461 2.966 21.710) 23.867 6.083 ( 4.025 -1.634 14.044) 14.700 6.253 ( -14.830 0.668 6.224) 16.097 8.390 ( 38.083 40.334 4.357) 55.642 8.812 ( 2.029 15.072 1.863) 15.322 9.356 ( 17.406 -0.605 0.911) 17.441 9.740 ( -25.226 29.839 -0.523) 39.077 10.528 ( 8.900 -1.107 -0.082) 8.969 10.643 ( -4.131 -3.846 1.387) 5.812 11.302 ( 9.723 -3.741 -7.237) 12.685 11.596 ( -16.365 8.376 -5.972) 19.330 12.221 ( 4.759 -5.257 1.341) 7.217 12.339 ( -7.008 -4.205 1.824) 8.373 12.622 ( 6.388 -18.128 0.932) 19.243 12.786 ( -9.390 -21.254 0.689) 23.246 13.567 ( 5.393 21.372 2.925) 22.235 13.655 ( -3.020 19.772 1.542) 20.060 14.093 ( 7.983 7.152 -7.446) 13.051 14.244 ( -5.039 3.805 -6.265) 8.895 14.562 ( 1.251 5.267 -0.572) 5.444 14.689 ( -10.130 5.028 0.465) 11.319 15.871 ( 6.032 -5.434 -3.765) 8.949 15.976 ( -3.987 -3.202 -3.345) 6.111 16.255 ( 3.693 -2.413 -10.978) 11.831 16.323 ( -2.592 -4.456 -14.120) 15.032 16.729 ( 5.942 -1.441 -0.883) 6.178 16.831 ( -3.464 -4.332 0.986) 5.634 17.590 ( 4.366 6.249 -5.184) 9.219 17.728 ( -9.440 3.479 0.618) 10.080 19.219 ( 5.546 -2.274 -4.913) 7.751 19.268 ( 0.595 -4.560 -3.671) 5.884 ======================= Grid point 133 (49/192) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.237 ( 0.000 32.509 22.413) 39.487 4.722 ( 0.000 5.538 13.571) 14.657 4.931 ( 0.000 -19.257 19.282) 27.251 5.410 ( 0.000 -0.861 20.753) 20.771 5.814 ( 0.000 30.224 11.129) 32.208 6.003 ( 0.000 -3.314 3.211) 4.614 6.398 ( 0.000 -3.050 25.641) 25.822 7.149 ( 0.000 -9.500 2.451) 9.811 7.724 ( 0.000 -9.343 5.710) 10.949 7.765 ( 0.000 58.119 8.668) 58.762 8.101 ( 0.000 21.338 1.266) 21.375 9.351 ( 0.000 29.983 0.262) 29.984 10.581 ( 0.000 -4.698 -3.421) 5.812 10.976 ( 0.000 -16.025 -3.978) 16.511 11.545 ( 0.000 10.033 -2.187) 10.269 11.740 ( 0.000 -12.310 1.563) 12.409 12.208 ( 0.000 -10.852 0.563) 10.866 12.639 ( 0.000 0.275 1.351) 1.379 12.820 ( 0.000 -5.149 -0.902) 5.228 12.844 ( 0.000 -8.797 2.607) 9.175 13.792 ( 0.000 22.392 -5.993) 23.180 13.853 ( 0.000 13.267 -5.907) 14.522 14.032 ( 0.000 1.534 1.845) 2.400 14.319 ( 0.000 22.252 -5.164) 22.844 15.023 ( 0.000 0.473 -5.040) 5.062 15.461 ( 0.000 -5.765 -10.418) 11.906 15.555 ( 0.000 2.076 5.705) 6.071 15.791 ( 0.000 2.324 -8.956) 9.252 16.171 ( 0.000 -1.039 -1.344) 1.699 16.247 ( 0.000 -17.895 -15.972) 23.986 16.320 ( 0.000 -2.630 9.143) 9.514 16.736 ( 0.000 3.042 1.316) 3.315 17.683 ( 0.000 5.168 -11.277) 12.405 18.389 ( 0.000 -2.690 6.261) 6.815 18.703 ( 0.000 -6.618 -8.111) 10.468 18.840 ( 0.000 0.452 -5.972) 5.989 ======================= Grid point 134 (50/192) ======================= q-point: ( 0.14 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( -8.096 25.709 14.766) 30.733 4.677 ( -14.324 -11.603 20.891) 27.861 4.834 ( 6.317 21.202 20.105) 29.894 5.418 ( -1.838 0.233 16.862) 16.963 5.587 ( -24.329 -0.694 7.409) 25.441 5.893 ( -1.781 10.629 15.649) 19.001 6.331 ( -1.472 11.933 21.630) 24.747 7.462 ( -1.523 8.365 -0.846) 8.544 7.762 ( 0.592 2.023 -1.521) 2.599 7.771 ( 12.580 -5.093 12.094) 18.178 8.243 ( 32.006 42.056 7.079) 53.321 9.735 ( 29.116 27.078 -1.431) 39.787 10.602 ( 1.617 -3.204 -3.056) 4.714 10.899 ( -7.456 -16.449 -2.318) 18.209 11.487 ( -5.362 12.608 -3.408) 14.119 11.775 ( 2.811 -13.405 1.398) 13.767 12.101 ( -8.795 -14.956 1.635) 17.427 12.589 ( -6.541 3.822 -2.956) 8.131 12.724 ( -6.700 -12.778 1.701) 14.528 12.812 ( -4.428 2.106 2.026) 5.306 13.827 ( 3.895 22.360 -3.019) 22.897 13.899 ( 4.000 13.554 -5.243) 15.073 14.122 ( 7.582 1.195 -0.606) 7.699 14.299 ( -1.772 20.560 -5.159) 21.271 14.925 ( -8.159 2.368 -3.894) 9.346 15.324 ( -13.510 1.651 -0.323) 13.615 15.523 ( 1.053 -4.770 -3.666) 6.108 15.888 ( 4.485 -2.382 -7.251) 8.852 16.143 ( -0.783 -6.264 -6.684) 9.194 16.215 ( 0.108 -4.786 -5.959) 7.644 16.446 ( 7.448 -7.331 0.001) 10.450 16.749 ( 1.080 1.530 2.507) 3.129 17.682 ( 0.048 5.774 -10.236) 11.752 18.234 ( -12.103 -0.209 3.549) 12.615 18.785 ( 7.464 -8.250 -7.777) 13.574 18.960 ( 8.821 -0.550 -4.346) 9.848 ======================= Grid point 135 (51/192) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( -16.011 18.980 8.448) 26.229 4.368 ( -20.390 5.377 23.815) 31.809 5.021 ( 10.782 16.442 17.538) 26.347 5.144 ( -5.293 12.033 12.133) 17.889 5.486 ( 1.250 3.918 20.292) 20.705 5.827 ( -6.224 4.526 19.387) 20.858 6.272 ( -4.292 19.824 18.575) 27.503 6.934 ( -31.108 18.544 0.935) 36.228 8.045 ( 23.379 -14.996 4.474) 28.133 8.351 ( 27.580 -18.143 3.693) 33.218 8.995 ( 40.600 41.512 3.184) 58.153 10.262 ( 18.876 19.408 -5.101) 27.550 10.578 ( -7.182 -7.822 -2.252) 10.855 10.749 ( -4.034 -6.087 3.480) 8.090 11.354 ( -6.124 18.531 -5.153) 20.186 11.774 ( -5.535 -23.489 1.920) 24.209 11.989 ( 1.366 -9.537 -0.997) 9.686 12.388 ( -11.301 -1.777 -4.632) 12.342 12.580 ( -8.190 -1.596 1.916) 8.561 12.675 ( -8.735 3.224 2.969) 9.773 13.932 ( 5.924 23.022 1.632) 23.828 14.005 ( 6.220 13.779 -5.661) 16.143 14.243 ( 0.003 13.593 -5.060) 14.504 14.292 ( 4.677 5.614 -3.534) 8.116 14.756 ( -7.701 5.148 -1.797) 9.436 15.034 ( -14.083 4.338 1.439) 14.806 15.581 ( 4.530 -8.642 -4.696) 10.829 15.892 ( -2.625 -9.779 -5.278) 11.418 16.184 ( 1.885 -0.704 -3.763) 4.267 16.227 ( 1.876 -4.571 -12.691) 13.619 16.573 ( 5.188 -5.800 -1.953) 8.023 16.762 ( -0.200 -2.480 4.190) 4.873 17.691 ( 0.998 6.879 -7.805) 10.452 17.992 ( -11.016 2.787 0.724) 11.386 18.963 ( 9.286 -8.612 -7.139) 14.538 19.116 ( 5.944 -2.522 -4.228) 7.718 ======================= Grid point 136 (52/192) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 0.288 18.142 11.574) 21.521 3.920 ( -19.389 11.333 15.360) 27.209 5.233 ( 10.376 20.301 21.188) 31.124 5.272 ( 10.412 7.648 19.329) 23.249 5.479 ( -1.388 10.590 16.379) 19.553 5.631 ( -12.579 12.182 20.937) 27.295 6.227 ( 1.868 15.941 13.482) 20.961 6.419 ( -18.363 15.618 6.361) 24.932 8.516 ( 20.153 -21.767 2.928) 29.808 8.701 ( 4.474 -20.454 2.434) 21.078 9.781 ( 35.805 37.840 -0.218) 52.095 10.307 ( -14.555 17.405 -6.533) 23.611 10.463 ( 0.960 -10.098 0.460) 10.154 10.613 ( -12.404 2.654 4.765) 13.551 11.397 ( 10.848 10.234 -3.790) 15.387 11.619 ( -9.216 -14.788 -0.192) 17.426 12.085 ( 5.735 -5.524 -5.147) 9.482 12.203 ( -6.802 2.705 -4.688) 8.693 12.435 ( -3.585 -4.225 4.292) 7.009 12.496 ( -7.947 -0.562 4.684) 9.241 14.043 ( 4.732 23.027 2.451) 23.636 14.096 ( 0.738 20.843 -0.851) 20.874 14.252 ( 3.665 8.328 -7.504) 11.794 14.341 ( -2.102 5.068 -6.767) 8.712 14.674 ( 1.103 5.765 -0.185) 5.872 14.792 ( -9.632 5.265 0.216) 10.980 15.695 ( 6.419 -10.771 -3.914) 13.136 15.815 ( -5.123 -11.368 -4.288) 13.185 16.212 ( 2.052 -2.047 -6.657) 7.261 16.250 ( -0.770 -2.465 -11.099) 11.395 16.662 ( 3.935 -5.266 -0.486) 6.592 16.731 ( -2.779 -5.278 2.868) 6.619 17.728 ( 2.852 7.082 -4.977) 9.114 17.817 ( -6.377 5.565 -2.131) 8.728 19.120 ( 5.825 -7.215 -6.182) 11.144 19.179 ( 0.150 -4.880 -5.099) 7.060 ======================= Grid point 140 (53/192) ======================= q-point: ( 0.00 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( 0.000 -22.029 6.731) 23.034 4.558 ( 0.000 -16.765 11.819) 20.512 4.967 ( 0.000 21.331 27.381) 34.709 5.362 ( 0.000 -3.567 16.892) 17.264 5.854 ( 0.000 -6.422 1.144) 6.524 6.291 ( 0.000 11.341 5.836) 12.754 6.470 ( 0.000 6.965 26.250) 27.158 6.930 ( 0.000 -10.375 13.465) 16.999 7.931 ( 0.000 30.260 2.143) 30.335 8.545 ( 0.000 27.329 -3.057) 27.499 9.063 ( 0.000 58.081 11.604) 59.228 10.066 ( 0.000 36.660 0.650) 36.665 10.492 ( 0.000 -4.424 -0.048) 4.424 10.622 ( 0.000 -18.064 -1.286) 18.110 11.439 ( 0.000 -15.993 2.714) 16.222 11.542 ( 0.000 -11.872 -11.574) 16.580 11.986 ( 0.000 -5.859 9.288) 10.982 12.451 ( 0.000 -16.092 -1.966) 16.212 12.627 ( 0.000 -14.639 0.886) 14.666 12.671 ( 0.000 -9.327 5.792) 10.979 14.111 ( 0.000 10.764 -3.864) 11.436 14.188 ( 0.000 13.720 -3.396) 14.134 14.212 ( 0.000 15.890 -3.660) 16.306 14.786 ( 0.000 21.346 -9.260) 23.268 15.072 ( 0.000 5.606 -4.312) 7.072 15.366 ( 0.000 -3.889 -11.117) 11.778 15.590 ( 0.000 0.591 3.688) 3.735 15.828 ( 0.000 0.575 -5.616) 5.646 15.858 ( 0.000 -18.271 -13.120) 22.493 16.083 ( 0.000 -5.463 -1.293) 5.614 16.367 ( 0.000 5.616 8.238) 9.970 16.772 ( 0.000 0.632 2.389) 2.471 17.790 ( 0.000 5.329 -6.655) 8.525 18.377 ( 0.000 1.327 -0.998) 1.661 18.491 ( 0.000 -11.407 -8.125) 14.004 18.844 ( 0.000 -2.271 -6.951) 7.313 ======================= Grid point 141 (54/192) ======================= q-point: ( 0.14 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( -6.767 -15.245 6.504) 17.903 4.688 ( -0.892 3.803 12.329) 12.933 4.983 ( 7.591 -2.945 24.741) 26.047 5.454 ( 6.689 1.130 19.954) 21.075 5.621 ( -12.090 8.302 3.482) 15.074 6.209 ( -9.189 15.136 20.101) 26.788 6.577 ( 9.385 6.903 14.586) 18.667 7.267 ( 26.987 -17.953 7.903) 33.362 7.818 ( -8.236 23.592 4.977) 25.479 8.155 ( -32.024 27.468 -1.275) 42.210 9.332 ( 24.151 51.935 6.888) 57.689 10.325 ( 15.838 21.786 -2.104) 27.017 10.475 ( -9.000 -16.231 -2.057) 18.673 10.623 ( 9.611 2.647 2.866) 10.372 11.326 ( -12.490 -28.013 -0.924) 30.685 11.578 ( 5.559 -4.964 -5.692) 9.377 11.905 ( -4.560 -0.709 6.904) 8.305 12.332 ( -11.810 -18.356 0.139) 21.827 12.628 ( 7.471 -5.389 0.641) 9.234 12.839 ( 5.326 -3.383 2.364) 6.737 14.157 ( 3.965 11.378 -5.602) 13.288 14.211 ( 2.797 11.467 -0.773) 11.829 14.260 ( 4.710 14.485 -3.506) 15.630 14.723 ( -5.628 18.904 -9.696) 21.979 15.013 ( -5.352 6.980 -2.235) 9.075 15.321 ( -5.811 -2.101 -9.175) 11.062 15.478 ( -6.967 0.097 2.889) 7.543 15.722 ( -4.572 -14.031 -7.735) 16.661 16.032 ( 9.149 -2.775 -10.873) 14.479 16.110 ( 2.081 -5.082 -1.537) 5.703 16.395 ( 2.585 1.798 5.369) 6.224 16.760 ( -1.521 -0.552 3.544) 3.896 17.798 ( 0.861 5.673 -6.240) 8.477 18.267 ( -8.565 3.528 -2.857) 9.693 18.571 ( 7.182 -11.347 -7.302) 15.286 18.925 ( 6.100 -4.051 -6.189) 9.587 ======================= Grid point 142 (55/192) ======================= q-point: ( 0.29 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -1.231 4.230 6.631) 7.961 4.495 ( -13.420 10.819 13.451) 21.865 5.194 ( 9.763 0.092 20.230) 22.463 5.451 ( -0.684 2.336 20.029) 20.176 5.673 ( 9.281 20.493 13.165) 26.065 6.048 ( -5.699 16.483 21.535) 27.711 6.727 ( 3.588 18.247 11.141) 21.678 7.424 ( -31.262 27.726 2.815) 41.880 7.730 ( 4.026 -3.293 4.629) 6.963 7.876 ( 22.497 -24.560 4.101) 33.558 9.904 ( 30.051 37.950 0.837) 48.414 10.161 ( -15.816 -26.729 1.184) 31.080 10.526 ( -1.586 3.329 -5.284) 6.444 10.836 ( 3.758 4.813 -0.040) 6.106 11.116 ( -0.776 -25.167 4.026) 25.499 11.704 ( -0.279 7.819 -2.556) 8.231 11.861 ( 5.009 -2.552 -0.561) 5.650 12.191 ( 0.977 -5.901 3.217) 6.791 12.715 ( -0.768 6.197 -2.873) 6.874 12.828 ( -6.203 6.723 2.045) 9.373 14.246 ( 5.249 11.076 -8.233) 14.765 14.309 ( 6.118 9.519 2.682) 11.629 14.386 ( 7.157 11.253 -3.404) 13.763 14.603 ( -5.423 15.347 -7.970) 18.124 14.882 ( -7.079 7.163 -0.068) 10.071 15.123 ( -11.848 3.934 -0.965) 12.522 15.414 ( -0.039 -7.427 -4.840) 8.865 15.636 ( -4.219 -14.184 -5.386) 15.747 16.143 ( 1.511 -3.017 -1.996) 3.921 16.180 ( 4.916 -0.102 -10.443) 11.543 16.461 ( 3.726 -4.094 0.330) 5.545 16.701 ( -4.249 -3.790 5.086) 7.635 17.828 ( 2.169 6.829 -5.447) 9.000 18.097 ( -7.640 7.606 -4.143) 11.550 18.750 ( 9.898 -11.638 -6.867) 16.751 19.027 ( 3.279 -6.720 -5.805) 9.467 ======================= Grid point 143 (56/192) ======================= q-point: ( 0.43 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 3.696 20.445 9.390) 22.800 4.248 ( -10.166 19.881 12.544) 25.611 5.378 ( 8.124 2.360 20.428) 22.111 5.460 ( -0.287 1.494 22.508) 22.559 5.834 ( 6.999 21.240 13.433) 26.087 5.964 ( -4.687 20.384 18.853) 28.158 6.721 ( -0.283 29.998 8.772) 31.256 6.886 ( -18.496 29.010 6.907) 35.091 7.972 ( 16.498 -26.179 3.718) 31.167 8.170 ( 1.822 -28.723 3.078) 28.945 9.973 ( 1.124 -30.576 1.217) 30.621 10.192 ( -14.504 -19.362 -0.054) 24.192 10.535 ( 20.160 22.084 -3.111) 30.063 10.834 ( -6.233 8.852 -5.021) 11.934 11.226 ( 9.715 -11.442 3.404) 15.391 11.490 ( -14.827 -3.979 0.671) 15.366 12.157 ( 18.437 10.729 -3.020) 21.544 12.345 ( 9.566 10.838 1.680) 14.553 12.559 ( -11.945 13.335 -1.902) 18.004 12.647 ( -10.876 11.885 1.585) 16.188 14.368 ( 6.201 7.545 -9.104) 13.352 14.417 ( 3.477 7.940 -1.100) 8.737 14.485 ( 0.967 13.630 -3.456) 14.095 14.526 ( -2.315 16.085 -1.106) 16.288 14.786 ( 0.007 4.618 -0.007) 4.618 14.902 ( -9.558 4.921 -0.217) 10.752 15.457 ( 3.898 -12.002 -4.863) 13.523 15.548 ( -4.688 -13.845 -4.201) 15.209 16.179 ( 2.349 -0.698 -3.601) 4.356 16.221 ( -0.818 -0.413 -7.840) 7.893 16.534 ( 3.529 -6.639 -0.517) 7.537 16.610 ( -4.312 -6.525 3.250) 8.469 17.885 ( 3.525 8.623 -4.879) 10.516 17.970 ( -5.145 9.527 -4.613) 11.770 18.934 ( 7.709 -10.917 -6.415) 14.824 19.038 ( -2.387 -9.129 -5.993) 11.178 ======================= Grid point 147 (57/192) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( 0.000 -11.040 6.927) 13.033 4.168 ( 0.000 -18.538 8.864) 20.548 5.226 ( 0.000 3.077 20.346) 20.578 5.282 ( 0.000 -3.584 13.639) 14.102 5.904 ( 0.000 11.350 0.945) 11.389 6.343 ( 0.000 -3.973 2.155) 4.520 6.606 ( 0.000 5.529 26.750) 27.315 6.767 ( 0.000 -5.183 23.777) 24.335 8.754 ( 0.000 44.314 -0.908) 44.323 9.110 ( 0.000 26.964 -2.696) 27.099 10.120 ( 0.000 39.282 7.588) 40.009 10.194 ( 0.000 -20.829 2.499) 20.978 10.324 ( 0.000 -12.983 2.593) 13.240 10.828 ( 0.000 33.323 -3.135) 33.470 11.109 ( 0.000 -15.711 3.750) 16.152 11.249 ( 0.000 -7.798 -7.708) 10.964 11.979 ( 0.000 3.084 4.826) 5.728 12.076 ( 0.000 -19.645 0.291) 19.647 12.233 ( 0.000 -22.199 4.675) 22.686 12.414 ( 0.000 -14.729 7.211) 16.400 14.308 ( 0.000 7.905 -0.297) 7.910 14.413 ( 0.000 4.247 -2.046) 4.715 14.521 ( 0.000 17.880 -9.276) 20.143 15.077 ( 0.000 7.268 -15.354) 16.987 15.231 ( 0.000 -2.179 -3.093) 3.784 15.290 ( 0.000 -3.629 -12.043) 12.578 15.501 ( 0.000 1.648 -8.469) 8.628 15.689 ( 0.000 1.344 2.797) 3.103 15.791 ( 0.000 -3.792 0.424) 3.815 15.972 ( 0.000 -6.323 -3.676) 7.314 16.518 ( 0.000 8.523 6.103) 10.483 16.764 ( 0.000 -1.763 3.498) 3.917 17.909 ( 0.000 6.428 -6.317) 9.013 18.261 ( 0.000 -10.694 -8.542) 13.687 18.441 ( 0.000 4.983 -4.821) 6.933 18.742 ( 0.000 -7.150 -6.510) 9.670 ======================= Grid point 148 (58/192) ======================= q-point: ( 0.14 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 7.804 -1.819 6.855) 10.545 4.465 ( 22.903 -19.168 9.321) 31.286 5.025 ( -10.611 6.101 15.698) 19.906 5.367 ( 1.039 -7.697 17.517) 19.162 5.954 ( 7.143 19.254 4.169) 20.955 6.430 ( 1.045 4.597 14.675) 15.413 6.610 ( 4.305 0.095 18.448) 18.944 6.922 ( 15.755 -14.246 16.738) 27.043 8.590 ( -15.822 44.873 1.508) 47.605 8.763 ( -29.837 30.791 -0.387) 42.877 9.972 ( -18.720 -23.627 0.898) 30.157 10.198 ( 4.922 16.096 3.111) 17.117 10.380 ( 6.537 -9.571 0.668) 11.610 10.784 ( -21.062 -14.256 0.686) 25.442 11.039 ( 13.943 24.014 -0.455) 27.772 11.500 ( 17.149 0.966 -2.176) 17.313 11.897 ( -8.590 -7.977 2.568) 12.001 12.087 ( 5.651 3.124 1.770) 6.695 12.380 ( 16.038 -18.023 5.336) 24.709 12.655 ( 14.768 -13.697 3.099) 20.379 14.346 ( 3.658 7.742 -0.450) 8.575 14.453 ( 3.733 4.523 -1.306) 6.008 14.518 ( 0.112 16.634 -8.597) 18.725 15.011 ( -6.260 9.174 -14.125) 17.968 15.181 ( -5.518 2.690 -1.515) 6.323 15.234 ( -4.925 -7.039 -13.705) 16.175 15.436 ( -4.348 -4.259 -6.070) 8.596 15.511 ( -10.406 -0.398 3.839) 11.099 15.964 ( 9.293 -2.337 -1.385) 9.682 16.055 ( 6.613 -2.317 -5.050) 8.637 16.480 ( -3.162 6.155 4.501) 8.255 16.724 ( -4.088 -3.177 4.282) 6.718 17.928 ( 2.037 7.305 -6.281) 9.847 18.316 ( 4.375 -8.587 -8.851) 13.085 18.401 ( -2.224 4.876 -4.385) 6.925 18.788 ( 3.409 -8.903 -6.266) 11.408 ======================= Grid point 149 (59/192) ======================= q-point: ( 0.29 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( 17.088 12.224 7.515) 22.314 4.767 ( -1.503 12.241 10.916) 16.470 5.022 ( 16.535 -12.845 16.848) 26.875 5.371 ( 0.614 -8.245 18.703) 20.449 6.135 ( 8.118 21.678 6.819) 24.132 6.410 ( 0.960 17.709 22.609) 28.735 6.772 ( 11.893 -8.643 12.011) 18.984 7.326 ( 20.688 -24.915 7.576) 33.259 8.067 ( -33.210 33.485 0.772) 47.167 8.217 ( -22.236 40.912 5.548) 46.893 9.516 ( -23.135 -33.849 1.177) 41.016 10.047 ( -24.264 -37.368 0.872) 44.563 10.575 ( 13.145 11.437 -0.596) 17.435 10.651 ( 10.754 1.593 -1.543) 10.981 11.198 ( 1.234 10.290 1.150) 10.427 11.616 ( -10.551 -11.383 -1.062) 15.558 11.986 ( 21.998 15.019 2.595) 26.762 12.336 ( 16.682 15.674 1.056) 22.915 12.690 ( 12.559 -8.926 0.450) 15.414 12.869 ( 4.954 -3.944 0.932) 6.400 14.440 ( 5.106 7.258 -2.192) 9.141 14.509 ( 1.668 11.539 -5.252) 12.787 14.579 ( 6.148 6.267 -0.697) 8.806 14.863 ( -6.963 10.361 -10.778) 16.493 15.022 ( -9.077 4.677 -2.098) 10.424 15.130 ( -5.980 -7.274 -9.094) 13.091 15.288 ( -8.448 -2.690 -0.026) 8.866 15.378 ( -4.211 -8.580 -2.547) 9.892 16.108 ( 5.432 0.212 -1.106) 5.547 16.183 ( 5.117 -0.452 -7.085) 8.751 16.420 ( -2.276 0.510 1.059) 2.561 16.606 ( -7.179 -5.472 4.852) 10.248 17.994 ( 4.455 9.640 -6.024) 12.210 18.298 ( -3.974 11.432 -6.139) 13.571 18.496 ( 8.955 -12.643 -6.486) 16.796 18.837 ( 0.783 -11.538 -6.084) 13.067 ======================= Grid point 150 (60/192) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.549 ( 11.681 22.117 10.382) 27.081 4.696 ( -4.251 22.332 12.871) 26.124 5.304 ( 8.859 -9.821 18.748) 22.944 5.385 ( -0.300 -8.444 19.962) 21.676 6.275 ( 8.401 21.513 10.371) 25.317 6.433 ( -3.267 24.486 15.487) 29.156 7.101 ( 19.342 -9.000 7.708) 22.684 7.455 ( -15.844 -0.449 5.127) 16.659 7.676 ( 2.511 7.801 4.676) 9.435 7.825 ( -14.679 26.527 5.424) 30.799 9.236 ( -0.085 -39.508 1.933) 39.555 9.519 ( -24.284 -40.672 2.077) 47.416 10.841 ( 11.844 7.694 -3.251) 14.493 10.922 ( 10.068 3.140 -5.082) 11.707 11.156 ( -0.788 -0.017 3.904) 3.983 11.355 ( -14.358 -8.014 1.427) 16.505 12.443 ( 21.163 16.685 0.097) 26.950 12.642 ( 9.981 14.657 -0.463) 17.739 12.810 ( -3.767 7.200 -2.173) 8.412 12.837 ( -3.808 5.139 0.151) 6.398 14.522 ( 2.983 7.391 -6.978) 10.593 14.548 ( 0.978 7.772 -4.957) 9.269 14.705 ( 5.609 4.384 0.075) 7.119 14.798 ( 0.093 10.291 -2.176) 10.519 14.857 ( -4.810 2.180 -2.533) 5.857 14.969 ( -9.301 1.763 -1.336) 9.560 15.212 ( 0.994 -11.163 -4.873) 12.221 15.284 ( -4.968 -10.918 -2.915) 12.345 16.196 ( 3.381 2.352 -1.395) 4.349 16.235 ( -0.022 1.673 -5.147) 5.412 16.406 ( 1.109 -5.464 -1.071) 5.678 16.471 ( -5.440 -6.709 2.494) 8.990 18.098 ( 5.647 12.225 -5.652) 14.604 18.207 ( -5.065 13.378 -5.575) 15.353 18.676 ( 8.307 -13.875 -6.417) 17.398 18.804 ( -4.130 -13.333 -6.162) 15.257 ======================= Grid point 154 (61/192) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 0.000 -6.785 7.371) 10.018 3.890 ( 0.000 6.785 7.371) 10.018 5.237 ( 0.000 -0.610 13.854) 13.867 5.237 ( 0.000 0.610 13.854) 13.867 6.172 ( 0.000 -11.976 2.330) 12.201 6.172 ( 0.000 11.976 2.330) 12.201 6.692 ( 0.000 -3.161 26.989) 27.174 6.692 ( 0.000 3.161 26.989) 27.174 9.512 ( 0.000 -8.788 -8.020) 11.897 9.512 ( 0.000 8.788 -8.020) 11.897 9.840 ( 0.000 -5.111 8.380) 9.815 9.840 ( 0.000 5.111 8.380) 9.815 10.765 ( 0.000 -19.468 3.644) 19.806 10.765 ( 0.000 19.468 3.644) 19.806 11.306 ( 0.000 -1.375 -10.617) 10.706 11.306 ( 0.000 1.375 -10.617) 10.706 11.803 ( 0.000 -6.287 13.691) 15.065 11.803 ( 0.000 6.287 13.691) 15.065 12.140 ( 0.000 -10.355 3.154) 10.824 12.140 ( 0.000 10.355 3.154) 10.824 14.421 ( 0.000 -2.880 -0.914) 3.021 14.421 ( 0.000 2.880 -0.914) 3.021 14.904 ( 0.000 -18.820 -10.096) 21.357 14.904 ( 0.000 18.820 -10.096) 21.357 15.210 ( 0.000 -4.339 -13.432) 14.116 15.210 ( 0.000 4.339 -13.432) 14.116 15.695 ( 0.000 -6.443 1.648) 6.651 15.695 ( 0.000 6.443 1.648) 6.651 15.794 ( 0.000 -9.803 -2.225) 10.052 15.794 ( 0.000 9.803 -2.225) 10.052 16.681 ( 0.000 -6.426 4.413) 7.795 16.681 ( 0.000 6.426 4.413) 7.795 18.062 ( 0.000 -8.565 -7.775) 11.567 18.062 ( 0.000 8.565 -7.775) 11.567 18.578 ( 0.000 -8.005 -6.035) 10.025 18.578 ( 0.000 8.005 -6.035) 10.025 ======================= Grid point 156 (62/192) ======================= q-point: ( 0.14 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 19.657 -13.700 7.694) 25.165 4.100 ( 19.657 13.700 7.694) 25.165 5.186 ( -3.714 -9.023 14.325) 17.332 5.186 ( -3.714 9.023 14.325) 17.332 6.309 ( 11.269 -13.863 2.901) 18.099 6.309 ( 11.269 13.863 2.901) 18.099 6.702 ( 2.140 -7.639 25.643) 26.842 6.702 ( 2.140 7.639 25.643) 26.842 9.335 ( -20.037 -15.507 -4.070) 25.661 9.335 ( -20.037 15.507 -4.070) 25.661 9.607 ( -19.208 -29.389 5.286) 35.505 9.607 ( -19.208 29.389 5.286) 35.505 10.628 ( -5.085 -8.908 2.133) 10.476 10.628 ( -5.085 8.908 2.133) 10.476 11.438 ( 3.749 -13.581 -6.598) 15.558 11.438 ( 3.749 13.581 -6.598) 15.558 11.954 ( 16.765 -19.067 9.641) 27.158 11.954 ( 16.765 19.067 9.641) 27.158 12.331 ( 16.307 -15.985 2.667) 22.990 12.331 ( 16.307 15.985 2.667) 22.990 14.460 ( 3.782 -3.042 -0.393) 4.869 14.460 ( 3.782 3.042 -0.393) 4.869 14.883 ( -1.881 -18.001 -10.053) 20.704 14.883 ( -1.881 18.001 -10.053) 20.704 15.166 ( -4.596 -4.731 -12.542) 14.170 15.166 ( -4.596 4.731 -12.542) 14.170 15.490 ( -11.338 -3.052 1.393) 11.824 15.490 ( -11.338 3.052 1.393) 11.824 15.983 ( 9.970 -3.643 -2.301) 10.861 15.983 ( 9.970 3.643 -2.301) 10.861 16.621 ( -5.552 -6.637 4.090) 9.571 16.621 ( -5.552 6.637 4.090) 9.571 18.104 ( 4.206 -9.792 -7.526) 13.047 18.104 ( 4.206 9.792 -7.526) 13.047 18.583 ( 0.202 -10.332 -5.949) 11.924 18.583 ( 0.202 10.332 -5.949) 11.924 ======================= Grid point 158 (63/192) ======================= q-point: ( 0.29 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.579 ( 25.143 -19.205 9.490) 33.031 4.579 ( 25.143 19.205 9.490) 33.031 5.136 ( -0.989 -13.842 15.740) 20.983 5.136 ( -0.989 13.842 15.740) 20.983 6.504 ( 7.719 -13.568 9.018) 18.027 6.504 ( 7.719 13.568 9.018) 18.027 6.842 ( 11.179 -21.218 16.139) 28.907 6.842 ( 11.179 21.218 16.139) 28.907 8.789 ( -29.167 -35.200 0.723) 45.720 8.789 ( -29.167 35.200 0.723) 45.720 9.146 ( -26.214 -45.754 3.443) 52.844 9.146 ( -26.214 45.754 3.443) 52.844 10.688 ( 9.796 -0.999 0.299) 9.851 10.688 ( 9.796 0.999 0.299) 9.851 11.391 ( -6.760 -9.710 -1.779) 11.964 11.391 ( -6.760 9.710 -1.779) 11.964 12.378 ( 22.129 -19.615 2.660) 29.690 12.378 ( 22.129 19.615 2.660) 29.690 12.670 ( 15.113 -14.373 0.960) 20.878 12.670 ( 15.113 14.373 0.960) 20.878 14.557 ( 5.299 -3.451 -0.126) 6.325 14.557 ( 5.299 3.451 -0.126) 6.325 14.841 ( -2.060 -15.687 -7.898) 17.683 14.841 ( -2.060 15.687 -7.898) 17.683 15.031 ( -7.633 -4.820 -10.399) 13.771 15.031 ( -7.633 4.820 -10.399) 13.771 15.290 ( -9.038 -1.383 1.202) 9.222 15.290 ( -9.038 1.383 1.202) 9.222 16.146 ( 6.406 -2.674 -3.167) 7.630 16.146 ( 6.406 2.674 -3.167) 7.630 16.487 ( -7.091 -5.397 2.806) 9.343 16.487 ( -7.091 5.397 2.806) 9.343 18.223 ( 7.328 -12.346 -6.925) 15.940 18.223 ( 7.328 12.346 -6.925) 15.940 18.572 ( -1.637 -13.533 -5.830) 14.826 18.572 ( -1.637 13.533 -5.830) 14.826 ======================= Grid point 160 (64/192) ======================= q-point: ( 0.43 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.985 ( 13.447 -18.183 13.635) 26.408 4.985 ( 13.447 18.183 13.635) 26.408 5.122 ( -1.889 -15.991 16.373) 22.964 5.122 ( -1.889 15.991 16.373) 22.964 6.714 ( 14.491 -21.240 9.612) 27.450 6.714 ( 14.491 21.240 9.612) 27.450 6.961 ( -4.323 -26.639 9.613) 28.648 6.961 ( -4.323 26.639 9.613) 28.648 8.400 ( -4.041 -40.775 2.845) 41.073 8.400 ( -4.041 40.775 2.845) 41.073 8.633 ( -22.541 -43.955 3.882) 49.550 8.633 ( -22.541 43.955 3.882) 49.550 10.941 ( 13.869 -2.565 -0.287) 14.107 10.941 ( 13.869 2.565 -0.287) 14.107 11.202 ( -11.705 -5.589 -0.603) 12.984 11.202 ( -11.705 5.589 -0.603) 12.984 12.748 ( 13.282 -10.674 -0.592) 17.050 12.748 ( 13.282 10.674 -0.592) 17.050 12.860 ( 2.534 -5.182 -0.740) 5.816 12.860 ( 2.534 5.182 -0.740) 5.816 14.654 ( 4.643 -4.524 -3.079) 7.176 14.654 ( 4.643 4.524 -3.079) 7.176 14.764 ( -6.072 -9.008 -4.577) 11.788 14.764 ( -6.072 9.008 -4.577) 11.788 14.974 ( 3.601 -5.963 -5.464) 8.853 14.974 ( 3.601 5.963 -5.464) 8.853 15.112 ( -8.653 -4.977 0.022) 9.982 15.112 ( -8.653 4.977 0.022) 9.982 16.254 ( 4.865 -1.907 -2.296) 5.708 16.254 ( 4.865 1.907 -2.296) 5.708 16.357 ( -5.762 -2.870 0.270) 6.443 16.357 ( -5.762 2.870 0.270) 6.443 18.378 ( 7.586 -14.435 -6.297) 17.480 18.378 ( 7.586 14.435 -6.297) 17.480 18.507 ( -4.985 -14.969 -5.908) 16.847 18.507 ( -4.985 14.969 -5.908) 16.847 ======================= Grid point 210 (65/192) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 0.000 48.516) 48.516 2.116 ( 0.000 0.000 49.237) 49.237 3.883 ( 0.000 0.000 92.163) 92.163 5.467 ( 0.000 0.000 -10.861) 10.861 5.720 ( 0.000 0.000 32.268) 32.268 5.938 ( 0.000 0.000 -13.179) 13.179 6.152 ( 0.000 0.000 43.267) 43.267 6.608 ( 0.000 0.000 41.065) 41.065 8.496 ( 0.000 0.000 -1.738) 1.738 8.547 ( 0.000 0.000 14.960) 14.960 9.101 ( 0.000 0.000 -13.239) 13.239 10.391 ( 0.000 0.000 -4.864) 4.864 10.406 ( 0.000 0.000 13.392) 13.392 10.426 ( 0.000 0.000 -13.448) 13.448 10.921 ( 0.000 0.000 3.570) 3.570 11.272 ( 0.000 0.000 -1.380) 1.380 11.573 ( 0.000 0.000 -10.939) 10.939 12.694 ( 0.000 0.000 -5.537) 5.537 13.030 ( 0.000 0.000 7.441) 7.441 13.052 ( 0.000 0.000 0.081) 0.081 13.247 ( 0.000 0.000 0.126) 0.126 13.606 ( 0.000 0.000 -5.542) 5.542 13.687 ( 0.000 0.000 0.422) 0.422 13.771 ( 0.000 0.000 -2.195) 2.195 14.272 ( 0.000 0.000 -4.232) 4.232 15.265 ( 0.000 0.000 -10.305) 10.305 15.297 ( 0.000 0.000 -9.569) 9.569 15.541 ( 0.000 0.000 -7.078) 7.078 16.179 ( 0.000 0.000 0.317) 0.317 16.326 ( 0.000 0.000 -13.925) 13.925 16.853 ( 0.000 0.000 0.104) 0.104 16.856 ( 0.000 0.000 -36.143) 36.143 17.012 ( 0.000 0.000 -1.659) 1.659 17.136 ( 0.000 0.000 -9.851) 9.851 19.171 ( 0.000 0.000 14.960) 14.960 19.843 ( 0.000 0.000 -1.222) 1.222 ======================= Grid point 211 (66/192) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 36.649 0.000 39.207) 53.669 2.607 ( 41.818 0.000 41.698) 59.055 4.112 ( 23.600 0.000 83.793) 87.053 5.433 ( 2.203 0.000 -0.502) 2.260 5.810 ( 1.130 0.000 25.899) 25.924 5.963 ( 1.382 0.000 -11.803) 11.884 6.170 ( -1.665 0.000 41.778) 41.812 6.643 ( 7.147 0.000 34.293) 35.030 8.174 ( -25.747 0.000 -0.462) 25.751 8.432 ( -11.125 0.000 14.936) 18.624 8.981 ( -13.867 0.000 -12.524) 18.686 9.551 ( -45.546 0.000 7.200) 46.111 10.571 ( 15.124 0.000 11.334) 18.900 10.947 ( 14.948 0.000 -18.757) 23.984 11.040 ( 9.854 0.000 3.238) 10.372 11.280 ( 0.365 0.000 -5.802) 5.814 11.697 ( 11.785 0.000 -9.555) 15.172 12.769 ( 1.641 0.000 -6.611) 6.812 13.059 ( 0.689 0.000 0.026) 0.689 13.158 ( 14.792 0.000 3.476) 15.195 13.234 ( -1.266 0.000 0.113) 1.271 13.672 ( 6.478 0.000 -5.836) 8.719 13.692 ( 0.561 0.000 0.331) 0.652 13.770 ( -0.066 0.000 -2.037) 2.038 14.226 ( -4.306 0.000 -1.595) 4.592 14.910 ( -20.164 0.000 1.342) 20.208 15.481 ( 4.347 0.000 -14.628) 15.260 15.569 ( 2.178 0.000 -8.094) 8.382 15.949 ( -8.658 0.000 -8.034) 11.811 16.474 ( -1.703 0.000 -4.074) 4.415 16.658 ( -1.521 0.000 -33.822) 33.857 16.856 ( 0.277 0.000 0.008) 0.277 17.000 ( -1.202 0.000 -1.588) 1.992 17.469 ( 17.412 0.000 -16.809) 24.201 19.154 ( -0.803 0.000 13.599) 13.622 19.764 ( -6.670 0.000 -0.100) 6.671 ======================= Grid point 212 (67/192) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 50.653 0.000 25.622) 56.765 3.500 ( 43.315 0.000 40.713) 59.445 4.827 ( 45.256 0.000 60.042) 75.187 5.487 ( -7.971 0.000 20.247) 21.759 5.726 ( 0.940 0.000 13.179) 13.213 5.881 ( -13.823 0.000 -5.336) 14.817 6.118 ( -0.491 0.000 40.779) 40.782 6.902 ( 16.718 0.000 25.550) 30.533 7.715 ( -14.524 0.000 -2.051) 14.668 8.108 ( -21.817 0.000 14.493) 26.192 8.582 ( -24.015 0.000 -10.974) 26.404 8.599 ( -49.271 0.000 17.216) 52.192 10.915 ( 16.994 0.000 7.858) 18.723 11.123 ( 5.469 0.000 -17.234) 18.081 11.230 ( 7.603 0.000 3.274) 8.278 11.280 ( -0.368 0.000 -11.033) 11.039 11.970 ( 14.079 0.000 -7.683) 16.039 12.697 ( -7.542 0.000 -4.049) 8.560 13.079 ( 1.302 0.000 -0.092) 1.305 13.199 ( -2.124 0.000 0.053) 2.124 13.516 ( 17.435 0.000 -2.057) 17.556 13.708 ( 1.013 0.000 0.057) 1.015 13.766 ( -0.413 0.000 -1.599) 1.652 13.834 ( 7.941 0.000 -5.430) 9.620 14.122 ( -5.016 0.000 2.825) 5.757 14.560 ( -13.784 0.000 0.236) 13.786 15.504 ( -0.315 0.000 -11.762) 11.766 15.587 ( 0.414 0.000 -7.027) 7.039 15.908 ( 1.569 0.000 -18.324) 18.391 16.265 ( -12.202 0.000 -24.654) 27.508 16.848 ( 14.344 0.000 -9.026) 16.948 16.866 ( 0.807 0.000 -0.262) 0.849 16.967 ( -1.969 0.000 -1.378) 2.404 17.646 ( -0.356 0.000 -12.518) 12.523 19.184 ( 4.397 0.000 7.897) 9.038 19.620 ( -7.310 0.000 -0.215) 7.313 ======================= Grid point 213 (68/192) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( 36.912 0.000 42.085) 55.979 4.382 ( 51.241 0.000 15.236) 53.458 4.977 ( -30.003 0.000 39.540) 49.634 5.322 ( -40.388 0.000 5.780) 40.800 5.705 ( 23.157 0.000 31.336) 38.963 5.886 ( 2.620 0.000 15.501) 15.721 6.343 ( 37.414 0.000 32.912) 49.830 7.287 ( 20.293 0.000 18.546) 27.491 7.381 ( -51.416 0.000 22.655) 56.186 7.707 ( 12.226 0.000 -7.401) 14.292 7.784 ( -28.231 0.000 21.055) 35.218 8.090 ( -23.660 0.000 -9.796) 25.608 11.195 ( 10.198 0.000 5.517) 11.595 11.212 ( 3.563 0.000 -15.827) 16.223 11.263 ( -1.552 0.000 -13.974) 14.060 11.305 ( -0.680 0.000 4.063) 4.119 12.244 ( 13.301 0.000 -5.475) 14.383 12.498 ( -11.817 0.000 -3.998) 12.475 13.111 ( 1.886 0.000 -0.148) 1.892 13.153 ( -2.291 0.000 -0.065) 2.292 13.731 ( 1.178 0.000 -0.401) 1.244 13.753 ( -0.917 0.000 -0.998) 1.356 13.792 ( 9.313 0.000 1.995) 9.524 13.902 ( -2.150 0.000 3.595) 4.189 14.123 ( 7.169 0.000 -6.590) 9.738 14.327 ( -11.010 0.000 -6.187) 12.629 15.525 ( 2.680 0.000 -9.077) 9.464 15.580 ( -1.746 0.000 -7.391) 7.595 15.950 ( 3.021 0.000 -23.441) 23.635 16.057 ( -8.025 0.000 -26.375) 27.568 16.889 ( 1.529 0.000 -0.645) 1.659 16.926 ( -2.049 0.000 -1.047) 2.301 17.173 ( 17.280 0.000 -4.855) 17.949 17.493 ( -13.336 0.000 -6.639) 14.897 19.314 ( 7.801 0.000 1.984) 8.049 19.471 ( -7.646 0.000 -0.370) 7.655 ======================= Grid point 217 (69/192) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 36.171 39.994) 53.924 2.583 ( 0.000 43.635 40.683) 59.658 4.109 ( 0.000 23.299 84.268) 87.430 5.548 ( 0.000 7.676 -9.325) 12.078 5.735 ( 0.000 1.814 31.778) 31.830 6.055 ( 0.000 5.132 13.318) 14.272 6.244 ( 0.000 13.867 18.340) 22.993 6.658 ( 0.000 4.828 40.548) 40.834 8.250 ( 0.000 -24.237 11.851) 26.979 8.462 ( 0.000 -7.551 3.911) 8.504 9.036 ( 0.000 -7.926 -9.238) 12.172 9.741 ( 0.000 -31.142 -1.856) 31.197 10.316 ( 0.000 -0.743 -2.224) 2.345 10.995 ( 0.000 1.848 3.368) 3.842 11.016 ( 0.000 21.253 -1.191) 21.286 11.344 ( 0.000 10.232 -1.365) 10.323 11.669 ( 0.000 11.135 -9.646) 14.732 12.645 ( 0.000 -7.598 -2.232) 7.919 12.782 ( 0.000 -12.856 -0.926) 12.889 13.060 ( 0.000 0.396 2.533) 2.564 13.325 ( 0.000 7.235 -0.922) 7.293 13.356 ( 0.000 -7.107 -6.599) 9.698 13.741 ( 0.000 -3.954 3.189) 5.080 14.024 ( 0.000 12.706 -2.735) 12.997 14.542 ( 0.000 19.113 -4.644) 19.669 15.341 ( 0.000 4.831 -6.815) 8.353 15.364 ( 0.000 5.901 -12.772) 14.069 15.619 ( 0.000 8.575 -7.857) 11.631 16.153 ( 0.000 -16.093 -15.005) 22.003 16.177 ( 0.000 0.055 -2.505) 2.505 16.639 ( 0.000 -7.007 -0.836) 7.056 16.777 ( 0.000 -6.464 -30.025) 30.713 17.057 ( 0.000 3.329 -6.628) 7.417 17.540 ( 0.000 24.645 -11.129) 27.041 19.111 ( 0.000 -5.726 14.368) 15.467 19.651 ( 0.000 -16.205 2.083) 16.338 ======================= Grid point 218 (70/192) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 14.886 17.535 40.696) 46.747 3.210 ( 36.588 36.501 39.180) 64.854 4.401 ( 29.463 28.801 71.554) 82.568 5.413 ( -6.016 0.034 -2.753) 6.616 5.782 ( -1.575 0.519 25.357) 25.411 6.076 ( 0.861 1.731 23.461) 23.541 6.309 ( -0.346 15.683 19.060) 24.685 6.719 ( 9.755 8.178 27.152) 29.987 8.010 ( -22.059 -17.555 5.571) 28.737 8.126 ( -23.064 -20.558 11.103) 32.830 9.063 ( -0.681 1.987 -7.364) 7.658 9.662 ( -24.938 8.807 0.603) 26.454 10.286 ( 14.966 -16.978 3.366) 22.882 10.972 ( 3.057 -5.235 1.017) 6.148 11.185 ( 5.979 8.524 -7.991) 13.125 11.352 ( -0.488 11.383 -5.630) 12.709 11.796 ( 11.950 9.954 -5.415) 16.468 12.725 ( -1.556 -3.637 -4.889) 6.289 12.827 ( 11.760 -20.453 2.476) 23.723 13.073 ( 1.324 1.051 2.054) 2.661 13.307 ( -1.327 5.865 -0.951) 6.088 13.403 ( 4.143 -6.035 -6.828) 10.010 13.727 ( -1.141 -4.806 2.302) 5.449 14.047 ( 2.260 11.765 -3.145) 12.386 14.512 ( -3.160 17.250 -4.277) 18.051 15.010 ( -20.620 9.757 0.835) 22.827 15.514 ( 4.126 0.826 -14.736) 15.324 15.631 ( 1.133 8.012 -7.683) 11.158 15.942 ( -5.738 -0.847 -11.376) 12.769 16.416 ( 6.568 -14.227 -15.262) 21.874 16.467 ( -7.245 -1.353 -9.529) 12.047 16.880 ( 5.522 -2.834 -12.054) 13.559 17.037 ( -1.246 4.232 -5.254) 6.861 17.671 ( 8.377 16.238 -13.981) 23.007 19.098 ( -0.221 -5.287 12.777) 13.830 19.614 ( -3.344 -12.944 1.286) 13.431 ======================= Grid point 219 (71/192) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 42.324 -6.846 30.889) 52.842 3.911 ( 33.502 21.624 45.180) 60.259 5.178 ( 32.376 18.265 37.156) 52.558 5.389 ( 10.841 1.256 6.174) 12.539 5.575 ( -17.983 2.134 29.103) 34.278 6.065 ( -1.902 -0.854 27.428) 27.507 6.216 ( -6.345 12.629 24.085) 27.926 6.898 ( 2.120 -3.650 15.144) 15.721 7.633 ( -13.810 -13.159 9.171) 21.165 7.738 ( -8.791 -7.951 9.801) 15.381 8.851 ( -30.286 23.332 0.782) 38.239 9.022 ( -23.923 24.876 2.474) 34.601 10.690 ( 19.889 -16.032 0.267) 25.547 11.082 ( 6.631 -12.282 1.021) 13.995 11.258 ( 2.076 1.544 -11.712) 11.995 11.321 ( -1.771 7.852 -9.364) 12.348 12.048 ( 11.790 7.244 -2.832) 14.124 12.625 ( -7.161 -5.606 -2.339) 9.390 13.076 ( 6.955 -10.577 3.470) 13.126 13.133 ( 7.180 -7.122 1.702) 10.256 13.279 ( -0.994 5.327 -1.291) 5.570 13.491 ( 2.764 -8.543 -4.982) 10.268 13.734 ( 4.030 -5.472 -1.981) 7.079 14.109 ( 3.851 9.544 -3.759) 10.956 14.406 ( -7.711 10.732 -4.296) 13.896 14.617 ( -16.980 10.595 3.618) 20.339 15.558 ( 1.673 4.384 -12.041) 12.923 15.656 ( 1.066 7.401 -7.492) 10.585 15.913 ( 0.866 0.587 -17.642) 17.673 16.220 ( -10.836 -4.301 -26.112) 28.596 16.645 ( 10.439 -8.683 -1.347) 13.645 16.956 ( 0.476 -0.848 -1.971) 2.198 17.051 ( 5.058 7.270 -7.631) 11.691 17.725 ( -4.178 7.065 -10.677) 13.468 19.146 ( 5.256 -3.558 6.633) 9.180 19.532 ( -4.750 -7.875 -0.395) 9.205 ======================= Grid point 220 (72/192) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 47.218 -17.301 23.171) 55.369 4.547 ( 25.469 7.259 42.826) 50.354 4.912 ( -29.985 -12.969 14.966) 35.934 5.184 ( -22.538 1.720 25.498) 34.075 5.903 ( 5.251 10.983 30.508) 32.847 5.983 ( -4.126 1.940 22.735) 23.187 6.486 ( 40.289 12.973 19.860) 46.754 6.908 ( 0.174 -21.374 10.536) 23.831 7.322 ( -8.593 -11.219 17.459) 22.462 7.666 ( -25.048 23.834 23.256) 41.669 8.295 ( 0.732 35.707 -1.702) 35.755 8.627 ( -20.855 31.936 -2.637) 38.234 11.014 ( 12.026 -10.584 -1.394) 16.081 11.158 ( -1.589 -9.803 1.170) 9.999 11.278 ( 1.445 -3.045 -13.491) 13.906 11.306 ( -0.427 0.668 -9.546) 9.579 12.261 ( 9.922 2.519 -1.624) 10.365 12.456 ( -9.417 -2.563 -1.422) 9.863 13.147 ( 2.856 2.643 1.743) 4.264 13.199 ( -1.838 2.099 2.297) 3.614 13.351 ( 6.862 -13.665 1.005) 15.324 13.466 ( -4.294 -12.654 0.213) 13.365 13.926 ( 13.334 -4.717 -7.277) 15.906 14.188 ( -5.215 -3.608 -9.199) 11.173 14.214 ( -1.810 13.834 0.364) 13.957 14.352 ( -9.737 11.286 0.688) 14.922 15.606 ( 2.973 7.258 -9.168) 12.065 15.656 ( -1.438 7.327 -7.400) 10.512 15.946 ( 2.717 -0.300 -22.527) 22.693 16.040 ( -6.907 -1.539 -26.095) 27.037 16.821 ( 6.617 -5.100 -0.923) 8.405 16.917 ( -3.397 -1.054 -0.994) 3.693 17.247 ( 13.454 5.533 -5.424) 15.525 17.533 ( -13.497 3.736 -6.118) 15.283 19.282 ( 7.513 -2.933 1.019) 8.130 19.423 ( -6.254 -4.466 -0.990) 7.748 ======================= Grid point 224 (73/192) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 0.000 49.500 26.580) 56.184 3.479 ( 0.000 39.618 40.736) 56.824 4.865 ( 0.000 47.242 60.517) 76.773 5.763 ( 0.000 12.499 -4.913) 13.430 5.796 ( 0.000 4.055 33.106) 33.353 6.081 ( 0.000 -0.813 33.784) 33.793 6.708 ( 0.000 26.616 -1.795) 26.677 6.798 ( 0.000 8.446 37.701) 38.635 7.658 ( 0.000 -29.326 15.288) 33.072 8.192 ( 0.000 -16.985 6.884) 18.327 8.705 ( 0.000 -23.171 -0.502) 23.177 9.217 ( 0.000 -19.184 -2.779) 19.384 10.420 ( 0.000 7.324 -9.011) 11.612 11.036 ( 0.000 6.132 5.296) 8.102 11.186 ( 0.000 -0.176 -9.384) 9.385 11.718 ( 0.000 18.179 1.904) 18.278 11.955 ( 0.000 13.646 -8.328) 15.986 12.438 ( 0.000 -4.178 -0.630) 4.225 12.731 ( 0.000 4.633 -3.794) 5.988 13.039 ( 0.000 -3.067 3.781) 4.869 13.329 ( 0.000 3.816 -8.295) 9.131 13.491 ( 0.000 3.625 -4.423) 5.718 13.636 ( 0.000 -1.249 5.104) 5.255 14.154 ( 0.000 1.226 -0.074) 1.228 14.836 ( 0.000 8.013 -5.482) 9.709 15.430 ( 0.000 0.973 -12.654) 12.692 15.497 ( 0.000 8.815 1.541) 8.949 15.728 ( 0.000 -10.727 -7.762) 13.241 15.905 ( 0.000 4.919 -14.524) 15.334 16.187 ( 0.000 -0.020 -13.284) 13.284 16.564 ( 0.000 -2.182 -1.490) 2.642 16.641 ( 0.000 -4.921 -20.499) 21.081 17.137 ( 0.000 4.662 -9.196) 10.310 18.011 ( 0.000 20.485 -13.067) 24.298 18.946 ( 0.000 -9.992 12.464) 15.974 19.280 ( 0.000 -18.408 1.631) 18.480 ======================= Grid point 225 (74/192) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -8.819 41.430 31.620) 52.859 3.922 ( 22.287 33.594 44.083) 59.738 5.158 ( 18.814 31.293 39.068) 53.474 5.530 ( -6.917 16.879 6.161) 19.254 5.845 ( -0.193 6.046 30.000) 30.604 6.062 ( -1.863 -1.440 31.386) 31.474 6.627 ( -8.265 13.605 32.321) 36.028 6.924 ( 1.308 4.431 5.000) 6.807 7.610 ( -2.525 -11.292 13.384) 17.692 7.786 ( -19.219 -10.308 9.010) 23.597 8.932 ( 15.854 -15.496 0.250) 22.171 9.597 ( 25.274 -15.501 -5.095) 30.083 10.272 ( -13.648 14.748 -2.144) 20.208 10.891 ( -7.471 0.276 2.071) 7.758 11.221 ( 1.011 -2.502 -11.694) 12.002 11.675 ( -6.745 14.973 -2.774) 16.655 12.030 ( 7.948 9.781 -2.744) 12.898 12.537 ( 7.550 -4.835 1.562) 9.100 12.703 ( -1.833 1.322 -3.034) 3.783 13.086 ( 4.344 0.496 2.545) 5.059 13.356 ( 2.476 4.192 -6.961) 8.494 13.466 ( -2.824 -1.023 -3.479) 4.597 13.614 ( -1.295 1.016 2.349) 2.869 14.162 ( 0.623 1.127 -1.037) 1.653 14.730 ( -9.434 5.039 -5.661) 12.102 15.230 ( -18.415 7.900 2.371) 20.178 15.509 ( 5.870 -0.454 -13.159) 14.416 15.820 ( 3.901 3.601 -5.110) 7.369 15.916 ( 0.941 2.329 -14.972) 15.181 16.190 ( -1.526 -7.103 -20.576) 21.821 16.459 ( -2.095 1.083 -4.957) 5.489 16.795 ( 8.490 -4.167 -8.746) 12.881 17.135 ( 0.297 5.390 -9.063) 10.549 18.015 ( -1.723 15.381 -11.820) 19.475 18.948 ( 1.859 -8.856 9.489) 13.112 19.310 ( 2.091 -15.270 0.394) 15.418 ======================= Grid point 226 (75/192) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 17.533 18.432 28.624) 38.295 4.373 ( 22.979 24.572 49.201) 59.603 5.003 ( -19.831 -11.781 1.366) 23.106 5.663 ( -9.321 4.392 30.711) 32.393 5.922 ( 2.993 -1.624 25.122) 25.352 6.107 ( 14.282 25.298 29.419) 41.346 6.457 ( -4.504 11.436 31.889) 34.176 6.715 ( -13.648 -9.434 9.257) 18.999 7.315 ( -5.644 -0.367 18.594) 19.435 8.063 ( 24.210 25.456 6.514) 35.729 9.176 ( 5.275 2.681 -2.387) 6.380 9.594 ( -26.071 29.448 0.405) 39.332 10.334 ( 21.836 -14.882 0.101) 26.426 10.833 ( 1.227 -9.127 0.047) 9.209 11.219 ( -1.061 -5.583 -13.758) 14.885 11.487 ( -10.761 8.925 -7.892) 16.054 12.195 ( 7.425 4.242 1.208) 8.636 12.562 ( -4.750 0.883 2.624) 5.498 12.790 ( 9.768 -11.122 0.546) 14.813 13.193 ( 5.765 6.260 1.776) 8.693 13.358 ( -6.201 -9.006 -0.344) 10.940 13.411 ( 0.340 5.769 -1.757) 6.041 13.639 ( 5.107 2.283 -6.552) 8.615 14.165 ( -1.000 -0.823 -4.526) 4.707 14.517 ( -10.052 3.858 -4.610) 11.713 14.861 ( -17.326 8.352 1.607) 19.301 15.639 ( 6.349 2.347 -11.211) 13.096 15.860 ( 0.515 9.398 -5.294) 10.799 15.932 ( 0.552 1.473 -15.470) 15.550 16.100 ( -5.723 -6.724 -26.104) 27.557 16.538 ( 8.265 -1.284 -2.126) 8.631 16.915 ( 2.298 -2.905 -2.038) 4.228 17.182 ( 5.487 6.151 -9.314) 12.438 17.885 ( -10.926 7.089 -7.095) 14.831 19.051 ( 7.622 -5.253 2.314) 9.542 19.336 ( 0.139 -10.296 -1.753) 10.445 ======================= Grid point 227 (76/192) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 34.005 -6.022 21.707) 40.790 4.419 ( -30.396 -16.374 19.242) 39.526 4.916 ( 22.392 14.966 31.725) 41.616 5.356 ( -19.331 12.084 30.107) 37.764 5.884 ( 0.202 -9.699 22.471) 24.476 6.020 ( -12.615 1.567 34.564) 36.827 6.534 ( 3.402 -5.567 12.176) 13.814 6.600 ( -2.355 -7.867 21.547) 23.059 7.671 ( 36.620 40.084 19.892) 57.823 8.316 ( -12.627 34.822 12.348) 39.045 9.039 ( -4.507 33.931 -2.481) 34.319 9.209 ( -11.299 22.844 -1.050) 25.507 10.742 ( 15.978 -15.688 1.563) 22.447 10.886 ( 1.275 -13.692 2.757) 14.025 11.189 ( -0.805 -7.164 -15.702) 17.278 11.275 ( -9.378 1.361 -13.803) 16.742 12.325 ( 5.947 1.552 2.588) 6.669 12.445 ( -6.186 0.846 2.890) 6.880 12.995 ( 10.185 -14.237 2.563) 17.692 13.190 ( -9.027 -12.235 2.404) 15.394 13.308 ( 4.638 7.125 1.267) 8.596 13.386 ( -2.841 9.621 1.029) 10.084 13.821 ( 12.008 -1.525 -10.857) 16.260 14.062 ( -10.184 -3.894 -10.314) 15.008 14.423 ( 2.035 6.787 -1.246) 7.194 14.567 ( -11.502 7.424 -0.273) 13.693 15.750 ( 4.830 4.279 -10.081) 11.970 15.833 ( -3.198 6.773 -7.467) 10.576 15.953 ( 1.908 2.066 -18.013) 18.231 16.007 ( -3.492 -0.960 -22.511) 22.800 16.726 ( 9.432 -3.350 -1.978) 10.203 16.879 ( -5.249 -2.441 -1.350) 5.944 17.360 ( 11.612 5.196 -6.361) 14.223 17.623 ( -14.063 4.292 -4.955) 15.516 19.204 ( 6.833 -4.413 -1.850) 8.342 19.306 ( -3.235 -6.404 -2.812) 7.706 ======================= Grid point 231 (77/192) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( 0.000 32.176 38.870) 50.460 4.440 ( 0.000 44.634 17.511) 47.946 5.604 ( 0.000 8.675 29.107) 30.373 5.901 ( 0.000 6.649 33.583) 34.235 6.032 ( 0.000 -4.164 30.941) 31.220 6.063 ( 0.000 15.505 12.642) 20.006 7.074 ( 0.000 26.812 25.155) 36.765 7.148 ( 0.000 11.568 -2.208) 11.776 7.232 ( 0.000 -10.263 31.284) 32.924 7.920 ( 0.000 -3.794 3.328) 5.047 8.245 ( 0.000 -18.872 8.775) 20.812 8.987 ( 0.000 0.900 -1.351) 1.624 10.489 ( 0.000 -0.271 -11.453) 11.456 11.083 ( 0.000 -8.850 -10.894) 14.036 11.292 ( 0.000 15.414 3.798) 15.875 11.907 ( 0.000 -0.185 0.924) 0.942 12.168 ( 0.000 6.937 -5.952) 9.140 12.514 ( 0.000 9.333 0.483) 9.345 12.931 ( 0.000 -7.125 0.734) 7.162 12.977 ( 0.000 14.466 1.074) 14.506 13.348 ( 0.000 -6.564 -6.603) 9.310 13.479 ( 0.000 9.839 -6.719) 11.914 13.845 ( 0.000 15.000 -1.195) 15.047 14.122 ( 0.000 -3.237 1.901) 3.754 14.911 ( 0.000 0.768 -6.216) 6.263 15.348 ( 0.000 -9.376 -15.975) 18.523 15.566 ( 0.000 -0.350 -10.174) 10.180 15.628 ( 0.000 3.521 5.859) 6.836 16.057 ( 0.000 6.207 -5.441) 8.254 16.081 ( 0.000 -10.888 -27.827) 29.881 16.515 ( 0.000 -2.727 1.331) 3.034 16.659 ( 0.000 5.906 -3.104) 6.672 17.261 ( 0.000 7.692 -11.497) 13.833 18.364 ( 0.000 13.515 -12.872) 18.664 18.718 ( 0.000 -11.643 8.881) 14.644 18.921 ( 0.000 -16.356 -4.157) 16.876 ======================= Grid point 232 (78/192) ======================= q-point: ( 0.14 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( -16.533 38.323 25.909) 49.125 4.646 ( 14.045 36.396 33.387) 51.348 5.341 ( -20.150 -4.011 18.072) 27.363 5.768 ( -18.337 -3.738 17.222) 25.432 5.966 ( -0.079 3.147 31.391) 31.549 6.255 ( 13.899 9.832 31.634) 35.925 6.841 ( -12.345 2.580 30.209) 32.736 7.026 ( -7.566 24.322 12.044) 28.176 7.609 ( -7.733 16.044 14.321) 22.854 7.840 ( 31.625 4.844 5.672) 32.492 8.512 ( 21.287 -21.606 8.213) 31.423 9.368 ( 29.010 -0.321 -4.099) 29.300 10.483 ( -0.939 3.279 -9.862) 10.435 11.024 ( -8.104 -1.003 -3.761) 8.991 11.159 ( -9.075 8.876 -4.003) 13.310 11.907 ( -2.515 4.706 -1.291) 5.489 12.137 ( -1.491 2.971 -4.237) 5.386 12.529 ( 0.982 0.444 1.156) 1.581 12.753 ( -8.842 1.542 3.233) 9.540 13.124 ( 2.267 -7.095 2.960) 8.015 13.309 ( 0.688 5.142 -9.485) 10.811 13.524 ( 3.999 11.338 -5.388) 13.175 13.837 ( -0.622 14.661 -2.058) 14.818 14.150 ( 1.963 -1.442 -0.115) 2.439 14.791 ( -9.905 2.054 -5.653) 11.588 15.257 ( -11.555 -4.023 -8.206) 14.732 15.515 ( 2.549 0.624 -4.599) 5.295 15.770 ( 7.966 -2.290 -5.867) 10.155 16.008 ( -4.299 -6.771 -21.600) 23.041 16.075 ( -0.322 2.590 -11.021) 11.326 16.508 ( 0.802 1.436 -0.977) 1.913 16.751 ( 6.669 0.938 -1.702) 6.947 17.272 ( 1.234 8.121 -11.232) 13.915 18.248 ( -11.213 6.104 -7.169) 14.642 18.765 ( 6.458 -8.073 0.640) 10.358 19.019 ( 6.902 -12.477 -3.049) 14.581 ======================= Grid point 233 (79/192) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( -7.033 27.082 21.663) 35.386 4.791 ( -32.224 -5.457 12.089) 34.847 4.957 ( 16.632 28.395 33.829) 47.194 5.566 ( -1.232 -11.873 22.534) 25.500 5.910 ( -6.949 6.224 29.753) 31.181 6.358 ( -5.802 1.072 34.920) 35.415 6.602 ( -12.218 3.360 20.072) 23.737 6.724 ( -13.805 11.147 20.015) 26.747 7.861 ( 29.936 42.511 18.280) 55.114 8.498 ( 29.555 10.948 4.282) 31.807 8.979 ( 23.007 -16.986 4.079) 28.887 9.883 ( 15.132 2.952 -7.160) 16.998 10.430 ( -2.995 17.965 -0.837) 18.233 10.783 ( -9.643 6.306 2.456) 11.781 11.040 ( -4.052 -8.955 -13.488) 16.689 11.745 ( -12.978 14.746 -7.407) 20.994 12.159 ( 3.227 -7.292 -0.108) 7.975 12.505 ( -5.104 -15.706 0.491) 16.522 12.639 ( -0.864 3.191 6.941) 7.688 13.008 ( -9.400 -19.773 2.016) 21.986 13.442 ( 8.770 16.392 -7.265) 19.960 13.624 ( 5.323 14.116 -2.817) 15.347 13.831 ( 0.523 13.499 -3.925) 14.068 14.164 ( -1.374 1.049 -5.461) 5.728 14.597 ( -7.838 4.482 -4.040) 9.892 14.962 ( -15.869 2.483 -1.977) 16.183 15.621 ( 6.441 -4.252 -7.622) 10.847 15.868 ( -0.025 -5.353 -11.957) 13.100 15.961 ( 1.626 -4.333 -20.320) 20.840 16.060 ( -1.068 5.190 -6.615) 8.475 16.564 ( 4.788 1.720 -2.729) 5.773 16.855 ( 2.513 -2.234 -0.279) 3.374 17.326 ( 4.642 8.073 -10.267) 13.861 17.974 ( -14.881 1.214 -3.907) 15.433 18.941 ( 9.603 -5.603 -4.618) 12.039 19.136 ( 4.178 -8.638 -4.065) 10.421 ======================= Grid point 234 (80/192) ======================= q-point: ( 0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 12.385 6.707 17.467) 22.439 4.165 ( -27.921 -6.301 12.730) 31.327 5.302 ( 17.287 20.357 28.018) 38.708 5.633 ( -10.333 13.154 28.068) 32.674 5.715 ( 6.836 -1.772 24.058) 25.073 6.050 ( -19.725 3.161 32.535) 38.178 6.494 ( 1.061 1.925 22.933) 23.038 6.565 ( -5.165 4.112 30.943) 31.640 8.541 ( 32.392 35.049 11.114) 49.002 8.881 ( 3.716 13.778 5.574) 15.321 9.368 ( 16.040 2.619 0.029) 16.253 9.725 ( -20.950 25.572 -0.821) 33.069 10.535 ( 8.493 -0.315 0.877) 8.544 10.679 ( -5.289 -5.642 1.788) 7.938 11.084 ( 12.055 0.320 -14.117) 18.567 11.425 ( -18.219 12.727 -10.505) 24.582 12.246 ( 5.367 -10.403 0.824) 11.735 12.370 ( -6.936 -12.683 1.156) 14.502 12.688 ( 4.817 -10.713 5.854) 13.125 12.823 ( -8.426 -18.057 3.371) 20.209 13.599 ( 6.384 17.780 -3.252) 19.169 13.679 ( -0.999 17.756 -0.662) 17.797 13.901 ( 7.154 8.430 -8.434) 13.906 14.069 ( -7.892 3.971 -10.021) 13.360 14.536 ( 2.402 5.155 -2.165) 6.085 14.680 ( -11.341 4.345 -1.710) 12.264 15.738 ( 5.004 -4.823 -11.348) 13.307 15.822 ( -3.437 -5.928 -15.861) 17.278 16.012 ( 2.192 0.462 -11.691) 11.904 16.042 ( -0.880 3.953 -7.035) 8.117 16.692 ( 7.495 -0.751 -2.531) 7.946 16.828 ( -4.984 -2.461 -1.077) 5.661 17.466 ( 9.285 5.470 -7.381) 13.061 17.690 ( -12.951 2.202 -4.664) 13.940 19.105 ( 6.098 -5.495 -5.778) 10.038 19.173 ( -0.688 -6.389 -5.298) 8.329 ======================= Grid point 238 (81/192) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( 0.000 10.891 22.894) 25.352 5.036 ( 0.000 7.476 15.798) 17.478 5.413 ( 0.000 -8.774 28.575) 29.892 5.901 ( 0.000 -8.201 22.845) 24.272 6.144 ( 0.000 -7.221 9.687) 12.083 6.163 ( 0.000 20.243 25.328) 32.423 7.115 ( 0.000 -0.489 43.463) 43.465 7.213 ( 0.000 1.256 3.383) 3.609 7.887 ( 0.000 34.093 2.153) 34.161 7.946 ( 0.000 -9.045 17.829) 19.993 8.279 ( 0.000 44.685 18.701) 48.440 9.348 ( 0.000 30.653 -0.862) 30.665 10.469 ( 0.000 -0.683 -7.946) 7.975 10.863 ( 0.000 -12.058 -7.214) 14.051 11.492 ( 0.000 1.143 -2.636) 2.873 11.773 ( 0.000 -11.056 1.361) 11.140 12.242 ( 0.000 -0.431 2.863) 2.895 12.690 ( 0.000 1.944 3.892) 4.351 12.782 ( 0.000 -6.338 -2.977) 7.002 12.892 ( 0.000 -11.737 1.669) 11.855 13.644 ( 0.000 25.618 -9.149) 27.202 13.692 ( 0.000 10.197 -9.505) 13.940 14.081 ( 0.000 0.969 2.760) 2.925 14.184 ( 0.000 17.204 -6.323) 18.329 14.914 ( 0.000 0.791 -5.909) 5.961 15.172 ( 0.000 -6.752 -17.780) 19.019 15.612 ( 0.000 3.720 -9.000) 9.739 15.643 ( 0.000 -3.904 -3.581) 5.298 15.817 ( 0.000 -11.163 -19.802) 22.732 16.130 ( 0.000 0.174 -2.526) 2.532 16.474 ( 0.000 -0.115 5.674) 5.676 16.780 ( 0.000 4.540 3.315) 5.621 17.444 ( 0.000 9.427 -11.691) 15.018 18.490 ( 0.000 -9.970 3.266) 10.491 18.518 ( 0.000 -4.062 -9.264) 10.116 18.647 ( 0.000 -4.893 -12.871) 13.770 ======================= Grid point 239 (82/192) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.519 ( -18.955 9.031 16.590) 26.759 4.988 ( -5.888 -5.079 12.177) 14.448 5.467 ( 6.955 20.442 36.111) 42.075 5.658 ( -21.285 -4.693 11.417) 24.605 6.050 ( -0.878 3.045 33.063) 33.214 6.302 ( 6.090 6.558 23.371) 25.026 6.935 ( -6.048 6.891 32.843) 34.099 7.519 ( -12.247 18.044 10.200) 24.075 7.720 ( 11.407 -4.193 -2.123) 12.337 8.084 ( 13.258 -12.809 19.215) 26.628 8.483 ( 24.285 50.248 17.321) 58.435 9.685 ( 25.536 26.878 -3.663) 37.255 10.512 ( 4.270 1.801 -6.054) 7.624 10.811 ( -5.011 -13.575 -6.603) 15.905 11.416 ( -6.977 5.732 -2.828) 9.462 11.803 ( 2.447 -11.906 1.038) 12.199 12.150 ( -8.659 -5.557 3.022) 10.723 12.537 ( -11.594 3.515 -2.054) 12.288 12.750 ( -4.953 -15.248 1.481) 16.100 12.863 ( -2.964 1.834 2.873) 4.517 13.654 ( 2.904 17.601 -13.708) 22.498 13.806 ( 8.338 16.605 -5.359) 19.338 14.122 ( 2.958 4.652 -0.477) 5.533 14.178 ( 0.023 13.105 -3.885) 13.669 14.844 ( -6.028 3.640 -4.596) 8.409 15.145 ( -3.554 -5.718 -15.260) 16.679 15.518 ( -5.268 -0.543 -1.223) 5.435 15.709 ( 1.019 -8.904 -15.882) 18.236 15.824 ( 3.332 -2.734 -13.876) 14.530 16.134 ( 0.068 0.315 -3.135) 3.152 16.489 ( 1.589 -1.492 2.730) 3.493 16.809 ( 2.233 3.022 3.421) 5.081 17.460 ( 1.599 9.558 -11.268) 14.862 18.249 ( -15.147 -4.523 -2.966) 16.084 18.608 ( 7.694 -8.924 -8.732) 14.666 18.832 ( 10.284 -5.138 -7.701) 13.837 ======================= Grid point 240 (83/192) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( -16.398 11.937 12.714) 23.938 4.678 ( -25.104 -3.013 7.518) 26.378 5.428 ( 1.953 8.675 17.132) 19.302 5.656 ( 10.957 27.644 39.685) 49.590 6.047 ( -0.674 5.732 33.712) 34.202 6.365 ( -1.312 2.115 31.785) 31.882 6.743 ( -13.739 11.427 17.795) 25.218 7.059 ( -20.173 20.472 21.377) 35.820 8.145 ( 23.566 -17.310 4.792) 29.631 8.492 ( 22.177 -18.079 10.872) 30.608 9.109 ( 35.241 42.166 8.811) 55.655 10.112 ( 12.814 15.945 -9.175) 22.419 10.568 ( -4.192 -6.191 0.833) 7.524 10.764 ( 6.422 -1.670 -3.242) 7.386 11.235 ( -9.855 18.028 -5.120) 21.174 11.815 ( -5.029 -16.403 1.474) 17.220 11.967 ( -5.018 -10.037 -1.043) 11.270 12.292 ( -11.850 4.533 -4.409) 13.432 12.625 ( -6.264 -11.741 3.128) 13.670 12.763 ( -6.680 5.062 5.761) 10.170 13.754 ( 6.709 12.728 -16.921) 22.211 13.977 ( 7.668 18.422 -3.310) 20.227 14.144 ( -0.179 15.992 -2.999) 16.271 14.207 ( 1.734 3.570 -3.230) 5.117 14.716 ( -5.807 6.998 -2.562) 9.448 14.991 ( -11.249 0.737 -6.463) 12.995 15.489 ( 2.806 -7.716 -4.409) 9.320 15.683 ( -1.895 -11.226 -17.563) 20.930 15.933 ( 5.389 1.066 -11.304) 12.568 16.123 ( -1.194 0.867 -3.065) 3.402 16.544 ( 4.003 -3.383 -0.664) 5.283 16.834 ( -0.585 -0.487 2.857) 2.957 17.509 ( 3.275 9.235 -10.143) 14.103 17.956 ( -13.421 -1.755 -4.662) 14.316 18.794 ( 9.830 -9.143 -8.725) 16.011 18.993 ( 5.462 -5.707 -7.553) 10.930 ======================= Grid point 241 (84/192) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.964 ( 1.354 13.715 11.807) 18.148 4.188 ( -20.035 8.289 10.045) 23.895 5.621 ( 14.869 11.771 15.622) 24.570 5.880 ( 6.407 14.684 35.796) 39.218 5.952 ( -6.026 17.270 27.730) 33.219 6.169 ( -14.715 7.618 29.948) 34.226 6.612 ( 2.820 10.536 24.715) 27.014 6.762 ( -11.072 15.251 31.764) 36.935 8.599 ( 19.089 -21.521 5.062) 29.209 8.780 ( 3.329 -19.813 5.581) 20.852 9.788 ( 29.462 33.526 1.345) 44.652 10.154 ( -7.363 13.757 -7.973) 17.522 10.483 ( 1.475 -10.428 1.066) 10.586 10.712 ( -16.342 6.869 5.022) 18.424 11.282 ( 15.755 14.787 -7.385) 22.834 11.598 ( -13.862 -6.998 -2.149) 15.676 11.978 ( 3.357 -10.022 -4.692) 11.563 12.092 ( -7.977 2.125 -5.742) 10.055 12.551 ( -0.041 -6.891 7.209) 9.973 12.624 ( -6.368 0.386 7.860) 10.123 13.906 ( 7.868 10.630 -17.520) 21.951 14.033 ( -3.444 12.977 -12.860) 18.592 14.170 ( 3.464 17.523 2.989) 18.111 14.219 ( -0.760 12.025 -0.702) 12.069 14.655 ( 0.873 6.280 -2.144) 6.693 14.766 ( -9.609 4.321 -3.157) 10.999 15.577 ( 4.575 -10.382 -8.481) 14.165 15.645 ( -2.284 -10.635 -13.777) 17.553 16.020 ( 3.726 0.875 -8.769) 9.568 16.086 ( -2.605 0.844 -4.737) 5.471 16.648 ( 6.201 -4.080 -0.744) 7.460 16.772 ( -5.349 -3.386 1.201) 6.444 17.594 ( 5.344 6.932 -8.389) 12.124 17.732 ( -8.849 2.629 -6.432) 11.251 18.965 ( 6.641 -8.258 -8.510) 13.591 19.041 ( -0.738 -6.842 -8.054) 10.593 ======================= Grid point 245 (85/192) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.475 ( 0.000 -22.637 9.654) 24.609 4.838 ( 0.000 -20.351 14.422) 24.944 5.653 ( 0.000 19.648 38.667) 43.373 5.700 ( 0.000 -10.790 11.718) 15.929 5.885 ( 0.000 -12.832 1.829) 12.962 6.514 ( 0.000 8.921 19.572) 21.509 7.200 ( 0.000 6.722 43.542) 44.058 7.334 ( 0.000 6.642 23.688) 24.602 8.037 ( 0.000 22.421 10.750) 24.865 8.477 ( 0.000 27.945 -2.768) 28.082 9.391 ( 0.000 54.144 20.479) 57.887 10.063 ( 0.000 35.904 -1.676) 35.943 10.477 ( 0.000 1.098 -1.823) 2.128 10.591 ( 0.000 -14.564 -1.399) 14.631 11.330 ( 0.000 -14.867 -9.002) 17.380 11.506 ( 0.000 -14.044 3.479) 14.468 12.149 ( 0.000 -6.713 7.187) 9.835 12.421 ( 0.000 -18.767 -0.555) 18.775 12.643 ( 0.000 -9.280 0.453) 9.291 12.817 ( 0.000 -4.146 8.343) 9.316 13.914 ( 0.000 12.712 -13.959) 18.880 14.127 ( 0.000 19.028 -5.690) 19.861 14.182 ( 0.000 7.528 1.615) 7.699 14.497 ( 0.000 11.870 -16.219) 20.099 15.016 ( 0.000 10.432 -2.996) 10.853 15.062 ( 0.000 -4.515 -18.471) 19.015 15.385 ( 0.000 -16.491 -24.897) 29.863 15.703 ( 0.000 4.653 -6.817) 8.253 15.745 ( 0.000 0.220 3.336) 3.343 16.061 ( 0.000 -5.952 -1.165) 6.065 16.528 ( 0.000 4.733 7.429) 8.809 16.838 ( 0.000 1.353 4.250) 4.460 17.621 ( 0.000 7.371 -9.624) 12.122 18.275 ( 0.000 -13.274 -12.654) 18.339 18.331 ( 0.000 -5.049 -3.696) 6.257 18.644 ( 0.000 -1.509 -12.618) 12.708 ======================= Grid point 246 (86/192) ======================= q-point: ( 0.14 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( -7.946 -15.179 8.599) 19.169 4.974 ( -1.468 -4.221 12.739) 13.500 5.450 ( -0.160 -14.811 15.933) 21.755 5.796 ( 4.277 14.332 19.581) 24.639 6.005 ( 8.388 -4.422 30.447) 31.889 6.638 ( 5.274 14.042 20.361) 25.289 7.090 ( -3.845 7.497 34.918) 35.920 7.536 ( 15.413 -2.814 17.977) 23.847 7.999 ( -2.564 14.740 15.128) 21.277 8.135 ( -28.589 28.657 0.730) 40.486 9.544 ( 15.234 47.222 14.138) 51.593 10.231 ( 10.430 19.862 -6.810) 23.444 10.476 ( -10.360 -16.239 0.971) 19.287 10.650 ( 15.233 11.753 -0.095) 19.240 11.257 ( -6.510 -21.913 -4.796) 23.357 11.549 ( 4.009 -7.700 2.035) 8.916 12.031 ( -8.999 -3.593 5.832) 11.309 12.328 ( -7.471 -18.803 -0.240) 20.234 12.647 ( 1.863 0.319 1.097) 2.186 12.909 ( 3.836 -1.946 4.571) 6.277 13.939 ( 2.210 12.339 -14.507) 19.172 14.147 ( 2.985 13.167 -7.303) 15.349 14.260 ( 6.247 11.235 1.970) 13.005 14.463 ( -2.519 11.380 -12.742) 17.268 14.960 ( -4.725 5.737 -6.480) 9.860 15.048 ( -1.442 -1.841 -14.466) 14.654 15.386 ( -0.732 -13.147 -19.875) 23.841 15.566 ( -7.771 -0.804 -1.043) 7.882 15.868 ( 6.809 4.130 -4.528) 9.161 16.078 ( 1.534 -4.856 -1.652) 5.354 16.494 ( -2.475 2.053 5.020) 5.962 16.846 ( -0.043 0.442 4.804) 4.824 17.637 ( 1.583 7.256 -9.289) 11.893 18.152 ( -9.975 -3.486 -9.165) 13.987 18.395 ( 7.013 -10.535 -8.984) 15.521 18.748 ( 7.231 -4.794 -11.008) 14.016 ======================= Grid point 247 (87/192) ======================= q-point: ( 0.29 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( -0.116 3.669 7.816) 8.636 4.739 ( -14.569 9.001 8.637) 19.180 5.618 ( 10.429 2.147 20.730) 23.305 5.951 ( 8.581 -1.029 27.309) 28.644 6.151 ( 6.135 7.149 31.732) 33.101 6.628 ( -3.569 21.757 33.310) 39.946 7.044 ( -4.953 14.435 17.867) 23.497 7.550 ( -25.157 25.967 12.627) 38.296 7.828 ( 10.381 -6.080 5.560) 13.253 8.079 ( 13.580 -16.237 17.163) 27.251 9.948 ( 22.833 31.743 4.021) 39.308 10.174 ( -14.415 -23.139 -0.748) 27.272 10.394 ( 1.099 8.692 -6.956) 11.187 10.848 ( -1.120 -6.876 1.020) 7.041 11.194 ( 3.351 -12.808 3.496) 13.693 11.654 ( 4.213 7.403 -1.817) 8.710 11.860 ( -4.441 -0.812 0.397) 4.532 12.267 ( 3.033 -5.223 4.166) 7.338 12.640 ( -3.874 8.891 -4.086) 10.524 12.891 ( -5.603 4.768 4.187) 8.465 13.996 ( 3.590 11.524 -16.748) 20.644 14.225 ( 2.736 6.785 -12.725) 14.678 14.390 ( 6.041 12.607 0.414) 13.986 14.445 ( 2.177 12.130 -3.392) 12.782 14.854 ( -5.610 4.877 -3.813) 8.354 14.999 ( -4.252 -0.019 -9.997) 10.863 15.326 ( -3.491 -7.780 -7.646) 11.453 15.463 ( -2.514 -8.804 -8.390) 12.419 15.989 ( 4.921 4.143 -6.916) 9.445 16.107 ( 0.868 -1.728 -2.242) 2.961 16.467 ( 0.545 -3.286 1.360) 3.598 16.804 ( -4.538 -2.896 4.782) 7.200 17.682 ( 2.809 7.301 -8.744) 11.733 17.961 ( -8.234 3.592 -9.567) 13.124 18.575 ( 10.083 -11.739 -9.652) 18.239 18.862 ( 3.460 -7.766 -10.215) 13.290 ======================= Grid point 248 (88/192) ======================= q-point: ( 0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.307 ( 6.284 19.652 8.883) 22.464 4.482 ( -10.941 19.667 9.187) 24.308 5.854 ( 13.208 6.638 23.608) 27.854 6.028 ( -1.544 -0.731 30.755) 30.802 6.254 ( 4.640 11.378 26.593) 29.295 6.446 ( -14.811 20.075 24.668) 35.084 6.985 ( 4.989 25.369 19.633) 32.464 7.189 ( -13.407 25.411 25.368) 38.328 8.086 ( 15.433 -23.693 7.652) 29.293 8.282 ( 0.345 -25.752 8.815) 27.221 9.997 ( 0.598 -27.108 0.681) 27.124 10.172 ( -10.782 -12.289 -2.244) 16.502 10.467 ( 17.455 17.129 -2.814) 24.617 10.754 ( -8.447 -1.955 -1.694) 8.835 11.290 ( 7.167 -4.799 2.637) 9.020 11.505 ( -12.739 -0.970 0.723) 12.797 12.077 ( 17.893 16.323 -4.669) 24.666 12.356 ( -3.326 14.032 -2.423) 14.623 12.534 ( 1.021 7.585 1.802) 7.862 12.716 ( -10.890 7.667 5.150) 14.280 14.089 ( 5.562 8.393 -18.815) 21.340 14.198 ( -4.576 5.945 -18.020) 19.519 14.503 ( 5.474 13.434 1.896) 14.630 14.542 ( 3.979 15.686 2.662) 16.400 14.760 ( -1.666 2.956 -3.413) 4.812 14.858 ( -8.609 3.959 -4.670) 10.564 15.337 ( 3.742 -12.008 -7.061) 14.424 15.413 ( -3.133 -11.253 -8.324) 14.343 16.061 ( 2.607 3.220 -6.325) 7.561 16.102 ( -1.346 1.300 -3.853) 4.283 16.532 ( 5.769 -6.729 0.764) 8.897 16.674 ( -7.677 -6.165 3.058) 10.310 17.747 ( 3.641 7.962 -8.695) 12.339 17.831 ( -5.036 7.640 -9.237) 13.002 18.763 ( 7.972 -11.386 -9.866) 17.045 18.872 ( -2.582 -9.926 -9.991) 14.318 ======================= Grid point 252 (89/192) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 0.000 -10.775 9.833) 14.587 4.384 ( 0.000 -20.805 11.757) 23.897 5.503 ( 0.000 -7.176 4.349) 8.391 5.569 ( 0.000 -10.553 6.252) 12.266 6.123 ( 0.000 18.518 26.224) 32.103 6.563 ( 0.000 -2.542 21.827) 21.974 7.329 ( 0.000 5.006 42.883) 43.174 7.399 ( 0.000 0.995 37.349) 37.362 8.743 ( 0.000 39.482 0.592) 39.486 9.042 ( 0.000 25.846 -3.476) 26.078 10.251 ( 0.000 -17.599 2.486) 17.774 10.341 ( 0.000 33.663 13.905) 36.422 10.396 ( 0.000 -12.591 4.404) 13.339 10.741 ( 0.000 27.210 -5.025) 27.670 11.075 ( 0.000 -2.918 -8.958) 9.421 11.216 ( 0.000 -14.031 6.730) 15.561 12.058 ( 0.000 -0.176 2.711) 2.717 12.087 ( 0.000 -11.498 0.931) 11.535 12.375 ( 0.000 -15.551 8.994) 17.965 12.613 ( 0.000 -15.249 12.060) 19.442 14.226 ( 0.000 17.038 -17.367) 24.329 14.330 ( 0.000 6.086 0.556) 6.111 14.378 ( 0.000 5.785 -1.450) 5.964 14.685 ( 0.000 7.037 -22.608) 23.678 14.969 ( 0.000 -4.779 -19.212) 19.797 14.996 ( 0.000 -16.368 -20.617) 26.324 15.364 ( 0.000 16.661 -3.780) 17.085 15.760 ( 0.000 1.135 3.485) 3.665 15.767 ( 0.000 0.527 -3.203) 3.247 15.922 ( 0.000 -7.137 -1.114) 7.224 16.647 ( 0.000 6.556 6.433) 9.186 16.841 ( 0.000 -1.217 3.878) 4.065 17.744 ( 0.000 4.872 -9.448) 10.630 18.026 ( 0.000 -10.592 -14.239) 17.746 18.299 ( 0.000 2.164 -9.084) 9.338 18.556 ( 0.000 -6.529 -11.640) 13.346 ======================= Grid point 253 (90/192) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( 7.354 -1.129 9.287) 11.900 4.692 ( 23.780 -20.978 11.991) 33.902 5.286 ( -9.491 1.130 6.867) 11.769 5.711 ( 5.048 -13.833 11.805) 18.874 6.235 ( 9.758 17.506 25.896) 32.745 6.709 ( 12.427 -4.098 18.325) 22.517 7.251 ( -5.576 7.509 40.521) 41.587 7.462 ( 5.339 -3.710 34.877) 35.478 8.633 ( -13.811 38.709 2.896) 41.201 8.763 ( -22.818 31.774 1.078) 39.133 10.004 ( -20.250 -21.408 2.296) 29.557 10.265 ( -3.521 0.190 2.995) 4.626 10.419 ( 4.669 5.833 3.393) 8.206 10.785 ( -18.646 -9.752 -1.148) 21.074 11.031 ( 17.159 16.935 0.112) 24.109 11.480 ( 15.317 -2.571 0.993) 15.563 11.960 ( -6.198 -2.560 3.411) 7.524 12.123 ( 6.877 3.795 1.672) 8.031 12.524 ( 10.577 -11.706 8.440) 17.892 12.749 ( 10.243 -13.161 6.299) 17.827 14.224 ( 0.028 15.448 -17.093) 23.040 14.352 ( 2.331 7.621 -2.695) 8.412 14.450 ( 6.042 4.816 0.333) 7.734 14.659 ( -2.220 8.131 -19.395) 21.147 14.878 ( -4.939 -9.155 -21.196) 23.611 15.036 ( -0.285 -9.448 -14.587) 17.382 15.302 ( -4.175 9.647 -4.575) 11.464 15.559 ( -10.849 -1.059 0.542) 10.915 15.942 ( 8.479 1.957 -0.933) 8.752 15.986 ( 4.759 -2.825 -1.436) 5.718 16.570 ( -6.434 5.398 4.480) 9.518 16.819 ( -3.093 -3.412 4.723) 6.596 17.762 ( 2.022 5.607 -9.631) 11.326 18.073 ( 3.794 -7.171 -14.819) 16.894 18.271 ( -1.083 1.810 -8.222) 8.489 18.608 ( 3.790 -8.701 -11.327) 14.778 ======================= Grid point 254 (91/192) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 18.188 13.884 8.684) 24.474 4.999 ( 1.001 13.191 9.402) 16.229 5.370 ( 20.700 -18.818 15.970) 32.213 5.799 ( 4.444 -13.203 20.223) 24.557 6.432 ( 8.520 17.436 22.913) 30.027 6.951 ( 9.079 3.202 25.469) 27.228 7.156 ( -2.046 3.898 29.160) 29.491 7.628 ( 10.204 -13.819 22.757) 28.513 8.113 ( -28.296 31.858 5.011) 42.903 8.381 ( -19.044 37.282 11.219) 43.342 9.549 ( -22.153 -33.133 2.075) 39.910 10.074 ( -21.133 -33.057 1.808) 39.276 10.571 ( 6.241 9.652 0.267) 11.497 10.608 ( 9.897 6.153 -2.400) 11.898 11.225 ( 2.383 4.776 1.581) 5.566 11.591 ( -6.468 -12.453 -1.024) 14.070 12.058 ( 17.419 18.603 4.187) 25.827 12.361 ( 15.265 12.971 1.479) 20.086 12.711 ( 6.795 -3.559 1.832) 7.886 12.898 ( 2.818 -4.740 2.085) 5.896 14.239 ( 1.562 12.220 -16.604) 20.675 14.387 ( -0.387 8.948 -11.510) 14.584 14.566 ( 4.361 2.323 -4.419) 6.629 14.642 ( 2.307 9.246 -7.338) 12.028 14.835 ( 2.042 -7.759 -13.212) 15.457 14.959 ( -6.717 -4.428 -8.492) 11.698 15.238 ( -3.262 0.588 -4.672) 5.728 15.345 ( -9.708 -3.289 0.001) 10.250 16.071 ( 3.941 2.078 -3.326) 5.560 16.094 ( 6.011 1.672 -0.616) 6.269 16.438 ( -5.754 1.367 1.445) 6.088 16.704 ( -8.083 -6.862 4.534) 11.532 17.830 ( 4.729 8.172 -9.747) 13.570 18.105 ( -1.360 8.369 -12.996) 15.517 18.332 ( 7.346 -10.327 -9.010) 15.550 18.662 ( 0.923 -11.579 -10.978) 15.983 ======================= Grid point 255 (92/192) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.767 ( 14.884 24.772 9.854) 30.533 4.957 ( -4.579 25.260 10.872) 27.879 5.746 ( 13.036 -15.966 22.368) 30.417 5.864 ( 0.398 -14.059 24.473) 28.226 6.594 ( 9.977 19.883 20.480) 30.237 6.870 ( -14.648 20.543 25.074) 35.571 7.343 ( 17.294 -7.372 16.555) 25.050 7.633 ( -10.070 2.933 13.448) 17.055 7.860 ( 1.667 5.057 15.131) 16.041 8.010 ( -15.474 26.141 13.872) 33.395 9.295 ( 1.179 -38.049 4.101) 38.287 9.583 ( -23.457 -38.117 4.285) 44.961 10.760 ( 9.700 11.152 -4.339) 15.404 10.824 ( 6.155 7.875 -4.342) 10.898 11.227 ( 1.804 -4.370 2.961) 5.579 11.387 ( -11.637 -9.824 1.582) 15.311 12.443 ( 18.019 17.732 -0.375) 25.283 12.635 ( 7.555 13.366 -0.036) 15.353 12.751 ( -1.575 8.063 -2.986) 8.741 12.855 ( -5.702 3.722 1.822) 7.049 14.277 ( 2.194 10.060 -17.349) 20.174 14.335 ( -3.509 8.291 -17.286) 19.490 14.651 ( 5.666 -3.374 -8.860) 11.044 14.758 ( 6.133 5.141 -2.339) 8.338 14.807 ( -6.121 -0.294 -4.946) 7.875 14.893 ( -0.954 3.723 -1.567) 4.150 15.150 ( -1.650 -4.942 -0.720) 5.260 15.212 ( -4.914 -7.723 -2.766) 9.563 16.137 ( 2.707 3.687 -3.398) 5.698 16.169 ( 0.521 5.397 -1.763) 5.702 16.392 ( 2.681 -6.267 0.498) 6.834 16.525 ( -8.924 -8.131 2.745) 12.381 17.939 ( 5.750 11.222 -9.791) 15.964 18.044 ( -4.383 12.598 -10.538) 16.999 18.502 ( 8.257 -13.833 -10.427) 19.189 18.631 ( -4.192 -13.421 -10.767) 17.709 ======================= Grid point 259 (93/192) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 0.000 -7.699 10.424) 12.959 4.075 ( 0.000 7.699 10.424) 12.959 5.440 ( 0.000 -1.546 2.681) 3.094 5.440 ( 0.000 1.546 2.681) 3.094 6.427 ( 0.000 -10.770 24.590) 26.845 6.427 ( 0.000 10.770 24.590) 26.845 7.395 ( 0.000 -1.519 41.254) 41.282 7.395 ( 0.000 1.519 41.254) 41.282 9.361 ( 0.000 -7.265 -6.512) 9.757 9.361 ( 0.000 7.265 -6.512) 9.757 10.011 ( 0.000 -5.852 8.499) 10.319 10.011 ( 0.000 5.852 8.499) 10.319 10.865 ( 0.000 -17.375 5.295) 18.164 10.865 ( 0.000 17.375 5.295) 18.164 11.113 ( 0.000 -2.766 -7.727) 8.207 11.113 ( 0.000 2.766 -7.727) 8.207 12.041 ( 0.000 -6.922 7.814) 10.439 12.041 ( 0.000 6.922 7.814) 10.439 12.269 ( 0.000 -13.894 11.267) 17.888 12.269 ( 0.000 13.894 11.267) 17.888 14.412 ( 0.000 -1.602 -0.570) 1.701 14.412 ( 0.000 1.602 -0.571) 1.701 14.587 ( 0.000 -17.058 -19.913) 26.220 14.587 ( 0.000 17.058 -19.913) 26.220 14.865 ( 0.000 -4.818 -20.158) 20.726 14.865 ( 0.000 4.818 -20.158) 20.726 15.672 ( 0.000 -11.108 -3.333) 11.597 15.672 ( 0.000 11.108 -3.333) 11.597 15.800 ( 0.000 -3.355 2.045) 3.929 15.800 ( 0.000 3.355 2.045) 3.929 16.776 ( 0.000 -5.207 4.527) 6.900 16.776 ( 0.000 5.207 4.527) 6.900 17.851 ( 0.000 -6.411 -12.484) 14.033 17.851 ( 0.000 6.411 -12.484) 14.033 18.405 ( 0.000 -7.263 -10.920) 13.115 18.405 ( 0.000 7.263 -10.920) 13.115 ======================= Grid point 261 (94/192) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.290 ( 20.269 -15.182 10.458) 27.399 4.290 ( 20.269 15.182 10.458) 27.399 5.433 ( -0.120 -11.645 6.465) 13.320 5.433 ( -0.120 11.645 6.465) 13.320 6.542 ( 10.246 -11.746 21.738) 26.749 6.542 ( 10.246 11.746 21.738) 26.749 7.378 ( -1.294 -4.873 39.994) 40.310 7.378 ( -1.294 4.873 39.994) 40.310 9.252 ( -13.356 -9.863 -3.649) 16.999 9.252 ( -13.356 9.863 -3.649) 16.999 9.732 ( -22.684 -19.848 6.979) 30.939 9.732 ( -22.684 19.848 6.979) 30.939 10.684 ( -7.342 -8.079 2.864) 11.286 10.684 ( -7.342 8.079 2.864) 11.286 11.316 ( 8.468 -11.400 -4.717) 14.964 11.316 ( 8.468 11.400 -4.717) 14.964 12.143 ( 11.067 -14.354 7.580) 19.646 12.143 ( 11.067 14.354 7.580) 19.646 12.430 ( 13.575 -14.067 8.049) 21.141 12.430 ( 13.575 14.067 8.049) 21.141 14.453 ( 3.028 -1.849 -2.779) 4.507 14.453 ( 3.028 1.849 -2.779) 4.507 14.568 ( -0.638 -14.611 -18.452) 23.544 14.568 ( -0.638 14.611 -18.452) 23.544 14.860 ( -0.996 -7.417 -17.415) 18.955 14.860 ( -0.996 7.417 -17.415) 18.955 15.488 ( -11.046 -6.417 -1.401) 12.851 15.488 ( -11.046 6.417 -1.401) 12.851 15.959 ( 8.744 -1.092 -0.004) 8.812 15.959 ( 8.744 1.092 -0.004) 8.812 16.706 ( -6.520 -7.006 3.957) 10.357 16.706 ( -6.520 7.006 3.957) 10.357 17.899 ( 4.747 -8.039 -12.221) 15.379 17.899 ( 4.747 8.039 -12.221) 15.379 18.412 ( 0.425 -9.537 -10.737) 14.367 18.412 ( 0.425 9.537 -10.737) 14.367 ======================= Grid point 263 (95/192) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 28.010 -22.404 11.355) 37.623 4.800 ( 28.010 22.404 11.355) 37.623 5.456 ( 2.256 -18.262 12.689) 22.352 5.456 ( 2.256 18.262 12.689) 22.352 6.771 ( 11.279 -14.515 19.045) 26.468 6.771 ( 11.279 14.515 19.045) 26.468 7.365 ( -0.026 -12.068 33.948) 36.029 7.365 ( -0.026 12.068 33.948) 36.029 8.816 ( -25.494 -33.642 2.339) 42.275 8.816 ( -25.494 33.642 2.339) 42.275 9.250 ( -25.161 -41.015 6.864) 48.605 9.250 ( -25.161 41.015 6.864) 48.605 10.697 ( 8.142 -0.787 0.518) 8.196 10.697 ( 8.142 0.787 0.518) 8.196 11.346 ( -4.373 -8.982 -2.301) 10.251 11.346 ( -4.373 8.982 -2.301) 10.251 12.445 ( 16.776 -15.250 3.477) 22.936 12.445 ( 16.776 15.250 3.477) 22.936 12.706 ( 11.888 -12.078 3.038) 17.217 12.706 ( 11.888 12.078 3.038) 17.217 14.464 ( -0.937 -7.003 -15.139) 16.707 14.464 ( -0.937 7.003 -15.139) 16.707 14.621 ( 3.338 -9.381 -10.478) 14.455 14.621 ( 3.338 9.381 -10.478) 14.455 14.826 ( -0.635 -8.141 -7.725) 11.240 14.826 ( -0.635 8.141 -7.725) 11.240 15.288 ( -8.935 -2.889 -0.774) 9.423 15.288 ( -8.935 2.889 -0.774) 9.423 16.104 ( 5.988 -1.355 -0.658) 6.175 16.104 ( 5.988 1.355 -0.658) 6.175 16.542 ( -9.164 -7.848 2.475) 12.317 16.542 ( -9.164 7.848 2.475) 12.317 18.032 ( 8.094 -10.893 -11.607) 17.858 18.032 ( 8.094 10.893 -11.607) 17.858 18.405 ( -1.526 -12.500 -10.453) 16.366 18.405 ( -1.526 12.500 -10.453) 16.366 ======================= Grid point 265 (96/192) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.289 ( 18.058 -23.526 14.453) 32.992 5.289 ( 18.058 23.526 14.453) 32.992 5.478 ( -2.018 -21.344 16.186) 26.863 5.478 ( -2.018 21.344 16.186) 26.863 7.003 ( 13.529 -19.268 19.005) 30.257 7.003 ( 13.529 19.268 19.005) 30.257 7.288 ( -10.868 -20.001 22.423) 31.952 7.288 ( -10.868 20.001 22.423) 31.952 8.500 ( -0.658 -38.176 7.752) 38.960 8.500 ( -0.658 38.176 7.752) 38.960 8.758 ( -21.996 -40.448 8.875) 46.889 8.758 ( -21.996 40.448 8.875) 46.889 10.932 ( 13.477 -2.920 -0.520) 13.799 10.932 ( 13.477 2.920 -0.520) 13.799 11.185 ( -11.008 -5.748 -1.020) 12.460 11.185 ( -11.008 5.748 -1.020) 12.460 12.737 ( 11.004 -8.903 -0.441) 14.162 12.737 ( 11.004 8.903 -0.441) 14.162 12.844 ( 0.933 -5.060 -0.643) 5.185 12.844 ( 0.933 5.060 -0.643) 5.185 14.477 ( 2.895 -7.897 -15.591) 17.715 14.477 ( 2.895 7.897 -15.591) 17.715 14.575 ( -5.873 -10.971 -14.911) 19.421 14.575 ( -5.873 10.971 -14.911) 19.421 14.928 ( 9.006 -4.268 1.704) 10.110 14.928 ( 9.006 4.268 1.704) 10.110 15.114 ( -8.989 -1.896 0.840) 9.225 15.114 ( -8.989 1.896 0.840) 9.225 16.220 ( 6.161 -3.393 -0.708) 7.069 16.220 ( 6.161 3.393 -0.708) 7.069 16.363 ( -8.267 -6.111 0.541) 10.295 16.363 ( -8.267 6.111 0.541) 10.295 18.201 ( 8.214 -13.044 -10.915) 18.888 18.201 ( 8.214 13.044 -10.915) 18.888 18.339 ( -5.240 -13.695 -10.469) 18.017 18.339 ( -5.240 13.695 -10.469) 18.017 ======================= Grid point 315 (97/192) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 0.000 0.000 44.435) 44.435 3.046 ( 0.000 0.000 43.088) 43.088 5.204 ( 0.000 0.000 -14.586) 14.586 5.606 ( 0.000 0.000 -19.850) 19.850 5.634 ( 0.000 0.000 80.443) 80.443 6.387 ( 0.000 0.000 32.301) 32.301 7.059 ( 0.000 0.000 45.050) 45.050 7.380 ( 0.000 0.000 31.443) 31.443 8.468 ( 0.000 0.000 -0.768) 0.768 8.854 ( 0.000 0.000 -11.128) 11.128 8.876 ( 0.000 0.000 17.581) 17.581 10.159 ( 0.000 0.000 -12.819) 12.819 10.362 ( 0.000 0.000 2.768) 2.768 10.657 ( 0.000 0.000 11.346) 11.346 10.988 ( 0.000 0.000 2.729) 2.729 11.106 ( 0.000 0.000 -15.409) 15.409 11.340 ( 0.000 0.000 -10.104) 10.104 12.550 ( 0.000 0.000 -8.656) 8.656 13.060 ( 0.000 0.000 0.815) 0.815 13.238 ( 0.000 0.000 -1.168) 1.168 13.264 ( 0.000 0.000 14.106) 14.106 13.474 ( 0.000 0.000 -7.432) 7.432 13.695 ( 0.000 0.000 0.328) 0.328 13.729 ( 0.000 0.000 -1.752) 1.752 14.188 ( 0.000 0.000 -3.885) 3.885 15.042 ( 0.000 0.000 -11.433) 11.433 15.080 ( 0.000 0.000 -10.844) 10.844 15.390 ( 0.000 0.000 -7.549) 7.549 15.872 ( 0.000 0.000 -29.860) 29.860 15.954 ( 0.000 0.000 -22.839) 22.839 16.480 ( 0.000 0.000 -0.465) 0.465 16.858 ( 0.000 0.000 0.448) 0.448 16.940 ( 0.000 0.000 -9.151) 9.151 16.975 ( 0.000 0.000 -2.023) 2.023 19.418 ( 0.000 0.000 9.969) 9.969 19.812 ( 0.000 0.000 -1.942) 1.942 ======================= Grid point 316 (98/192) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 25.232 0.000 39.444) 46.824 3.418 ( 34.215 0.000 38.296) 51.354 5.300 ( 9.570 0.000 -9.887) 13.760 5.663 ( 4.847 0.000 -18.186) 18.821 5.748 ( 12.133 0.000 76.090) 77.051 6.411 ( -0.391 0.000 30.841) 30.844 7.051 ( -2.883 0.000 43.509) 43.605 7.328 ( -1.023 0.000 29.439) 29.457 8.179 ( -24.062 0.000 1.149) 24.090 8.731 ( -13.607 0.000 -12.056) 18.180 8.771 ( -10.344 0.000 18.628) 21.307 9.757 ( -29.353 0.000 12.910) 32.066 10.565 ( 9.734 0.000 -17.126) 19.699 10.792 ( 12.359 0.000 10.302) 16.090 11.046 ( -4.031 0.000 -17.024) 17.494 11.101 ( 9.590 0.000 2.501) 9.911 11.481 ( 11.628 0.000 -11.927) 16.657 12.599 ( 2.075 0.000 -10.340) 10.547 13.065 ( 0.483 0.000 0.653) 0.813 13.225 ( -1.237 0.000 -1.105) 1.659 13.304 ( 5.270 0.000 9.430) 10.802 13.541 ( 6.611 0.000 -6.921) 9.571 13.699 ( 0.403 0.000 0.266) 0.483 13.732 ( 0.243 0.000 -1.614) 1.632 14.182 ( -0.690 0.000 -2.317) 2.417 14.869 ( -12.561 0.000 -3.698) 13.094 15.151 ( 2.466 0.000 -16.699) 16.880 15.407 ( 1.428 0.000 -7.810) 7.940 15.710 ( -8.737 0.000 -16.198) 18.404 15.915 ( -9.114 0.000 -33.909) 35.113 16.505 ( 7.912 0.000 3.067) 8.486 16.858 ( 0.052 0.000 0.319) 0.323 16.964 ( -1.027 0.000 -1.920) 2.177 17.171 ( 15.361 0.000 -13.250) 20.286 19.380 ( -3.216 0.000 9.205) 9.751 19.746 ( -6.003 0.000 -1.574) 6.206 ======================= Grid point 317 (99/192) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( 39.044 0.000 29.122) 48.709 4.249 ( 44.877 0.000 33.658) 56.096 5.587 ( 18.664 0.000 -0.464) 18.670 5.721 ( -2.394 0.000 -10.934) 11.193 6.090 ( 17.563 0.000 56.517) 59.183 6.264 ( -13.082 0.000 34.197) 36.614 6.962 ( -2.000 0.000 40.198) 40.247 7.435 ( 9.904 0.000 25.447) 27.306 7.695 ( -19.604 0.000 0.542) 19.611 8.343 ( -23.316 0.000 -12.414) 26.415 8.466 ( -19.935 0.000 21.454) 29.286 9.074 ( -37.550 0.000 29.376) 47.676 10.716 ( 6.170 0.000 -21.549) 22.415 10.975 ( -3.057 0.000 -18.895) 19.141 11.077 ( 14.269 0.000 7.916) 16.318 11.294 ( 8.197 0.000 2.793) 8.660 11.746 ( 14.112 0.000 -15.354) 20.854 12.539 ( -8.218 0.000 -12.549) 15.001 13.079 ( 0.996 0.000 0.217) 1.020 13.191 ( -2.103 0.000 -0.948) 2.306 13.503 ( 13.709 0.000 0.977) 13.744 13.710 ( 0.689 0.000 0.083) 0.694 13.725 ( 11.163 0.000 -4.890) 12.187 13.736 ( 0.124 0.000 -1.235) 1.241 14.148 ( -3.438 0.000 0.545) 3.481 14.576 ( -15.674 0.000 1.534) 15.749 15.185 ( 1.814 0.000 -18.323) 18.413 15.431 ( 0.591 0.000 -8.006) 8.028 15.592 ( -3.668 0.000 -13.899) 14.375 15.690 ( -11.061 0.000 -29.755) 31.745 16.759 ( 15.579 0.000 -0.689) 15.595 16.862 ( 0.400 0.000 -0.047) 0.402 16.936 ( -1.629 0.000 -1.616) 2.295 17.386 ( 4.519 0.000 -12.921) 13.689 19.326 ( -1.204 0.000 6.173) 6.289 19.603 ( -7.603 0.000 -1.400) 7.731 ======================= Grid point 318 (100/192) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.722 ( 40.650 0.000 17.957) 44.439 5.091 ( 37.660 0.000 35.418) 51.698 5.432 ( -27.297 0.000 4.461) 27.659 5.728 ( -23.671 0.000 33.911) 41.356 6.074 ( 16.940 0.000 6.491) 18.141 6.342 ( -3.241 0.000 27.680) 27.869 7.152 ( 23.985 0.000 41.965) 48.335 7.555 ( 6.565 0.000 -7.065) 9.644 7.598 ( -3.442 0.000 18.309) 18.630 7.871 ( -22.035 0.000 -11.565) 24.886 8.061 ( -10.262 0.000 37.827) 39.194 8.358 ( -30.215 0.000 36.547) 47.420 10.828 ( 5.039 0.000 -21.371) 21.957 10.913 ( -3.464 0.000 -20.259) 20.553 11.311 ( 8.261 0.000 5.697) 10.035 11.388 ( 0.636 0.000 3.948) 3.999 12.031 ( 14.307 0.000 -16.752) 22.030 12.312 ( -13.402 0.000 -15.600) 20.566 13.106 ( 1.676 0.000 -0.311) 1.705 13.146 ( -2.235 0.000 -0.708) 2.345 13.724 ( 0.678 0.000 -0.248) 0.722 13.735 ( -0.313 0.000 -0.725) 0.789 13.790 ( 13.619 0.000 -1.448) 13.696 13.973 ( 13.753 0.000 -1.395) 13.823 14.021 ( -9.184 0.000 1.709) 9.342 14.268 ( -15.125 0.000 1.452) 15.195 15.258 ( 5.822 0.000 -17.863) 18.788 15.394 ( -5.913 0.000 -13.124) 14.395 15.526 ( -1.371 0.000 -19.682) 19.730 15.550 ( -2.784 0.000 -17.775) 17.991 16.876 ( 1.034 0.000 -0.575) 1.183 16.903 ( -1.586 0.000 -1.141) 1.953 17.081 ( 15.622 0.000 -3.845) 16.088 17.337 ( -8.749 0.000 -8.310) 12.067 19.352 ( 3.672 0.000 1.740) 4.064 19.458 ( -6.572 0.000 -0.890) 6.632 ======================= Grid point 322 (101/192) ======================= q-point: ( 0.00 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 0.000 25.250 38.256) 45.838 3.398 ( 0.000 36.755 39.865) 54.223 5.311 ( 0.000 10.173 -13.174) 16.645 5.751 ( 0.000 12.174 76.581) 77.543 5.819 ( 0.000 19.460 -17.401) 26.105 6.425 ( 0.000 3.643 32.701) 32.904 7.056 ( 0.000 -0.260 43.431) 43.431 7.410 ( 0.000 2.580 29.665) 29.777 8.410 ( 0.000 -10.513 4.945) 11.618 8.665 ( 0.000 -14.456 15.575) 21.250 8.853 ( 0.000 -1.533 -8.506) 8.643 9.663 ( 0.000 -30.807 -5.716) 31.333 10.283 ( 0.000 -4.206 0.833) 4.288 10.961 ( 0.000 5.806 -7.064) 9.144 11.048 ( 0.000 1.463 2.532) 2.924 11.252 ( 0.000 21.230 -5.596) 21.955 11.479 ( 0.000 14.343 -8.055) 16.451 12.542 ( 0.000 -0.613 -8.104) 8.127 12.846 ( 0.000 -24.102 6.127) 24.869 13.120 ( 0.000 5.255 2.931) 6.017 13.231 ( 0.000 -11.706 -5.783) 13.056 13.316 ( 0.000 5.552 0.462) 5.571 13.807 ( 0.000 -0.670 2.326) 2.421 13.954 ( 0.000 12.470 -4.116) 13.132 14.458 ( 0.000 18.944 -2.657) 19.130 15.108 ( 0.000 4.745 -12.291) 13.176 15.180 ( 0.000 10.981 -8.669) 13.990 15.454 ( 0.000 7.184 -8.251) 10.940 15.797 ( 0.000 -14.156 -20.396) 24.827 15.819 ( 0.000 -5.119 -30.880) 31.301 16.432 ( 0.000 -3.717 -1.624) 4.056 16.615 ( 0.000 -8.446 -1.573) 8.591 17.008 ( 0.000 2.772 -0.986) 2.942 17.325 ( 0.000 21.369 -9.991) 23.590 19.345 ( 0.000 -7.007 9.238) 11.595 19.661 ( 0.000 -13.799 -0.617) 13.813 ======================= Grid point 323 (102/192) ======================= q-point: ( 0.14 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 9.414 12.478 38.705) 41.742 3.939 ( 35.814 35.867 34.341) 61.224 5.265 ( -1.858 0.814 -10.664) 10.855 5.875 ( 11.394 14.843 63.251) 65.961 5.946 ( 10.687 19.653 -3.739) 22.681 6.461 ( 0.820 4.753 29.850) 30.237 7.055 ( -2.376 0.825 41.169) 41.246 7.328 ( -4.585 -0.616 25.429) 25.846 8.133 ( -20.506 -5.678 7.530) 22.571 8.376 ( -21.021 -19.802 11.920) 31.242 8.955 ( 2.428 5.481 -1.688) 6.228 9.698 ( -8.245 -6.021 2.316) 10.469 10.300 ( 7.830 -11.612 -0.537) 14.015 10.958 ( -1.846 -4.847 -2.073) 5.585 10.983 ( 0.399 0.528 -12.857) 12.874 11.255 ( -0.687 18.137 -2.007) 18.260 11.661 ( 13.999 14.738 -8.100) 21.881 12.576 ( 0.275 -1.934 -9.849) 10.040 12.910 ( 8.172 -22.624 5.142) 24.598 13.126 ( 0.534 5.164 3.050) 6.021 13.271 ( 3.830 -11.371 -5.297) 13.116 13.307 ( -0.693 5.448 0.177) 5.495 13.775 ( -2.782 -2.191 1.664) 3.913 13.968 ( 1.427 11.543 -4.567) 12.495 14.429 ( -3.089 15.266 -3.072) 15.875 14.984 ( -12.684 11.973 -2.801) 17.666 15.192 ( 1.865 2.709 -16.128) 16.460 15.467 ( 1.256 6.840 -8.149) 10.713 15.685 ( -5.090 -2.279 -14.435) 15.475 15.793 ( -6.634 -9.979 -34.218) 36.256 16.457 ( 5.923 -4.026 2.054) 7.450 16.741 ( 8.188 -6.442 -3.843) 11.104 16.995 ( -1.133 2.897 -0.852) 3.225 17.408 ( 6.368 16.825 -12.221) 21.748 19.310 ( -2.835 -6.747 8.514) 11.227 19.616 ( -4.147 -11.856 -0.789) 12.585 ======================= Grid point 324 (103/192) ======================= q-point: ( 0.29 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 32.037 -6.620 30.795) 44.927 4.681 ( 35.704 25.924 31.941) 54.471 5.286 ( 2.272 -13.399 -4.387) 14.281 6.017 ( -1.985 13.760 8.747) 16.425 6.240 ( 10.362 13.011 43.682) 46.742 6.401 ( 1.757 11.095 28.838) 30.948 6.950 ( -4.111 0.424 35.105) 35.348 7.246 ( -8.259 -12.385 17.553) 23.015 7.892 ( 0.624 13.302 15.244) 20.241 7.968 ( -15.136 -15.477 13.219) 25.365 8.845 ( -14.537 19.105 1.878) 24.080 9.255 ( -30.367 16.106 19.687) 39.612 10.568 ( 13.950 -11.553 -12.757) 22.155 10.939 ( -0.956 -4.832 -18.307) 18.958 11.052 ( 6.235 -9.176 -3.003) 11.493 11.260 ( 1.452 5.350 2.026) 5.902 11.930 ( 12.095 13.742 -9.643) 20.691 12.499 ( -7.025 -2.692 -10.844) 13.198 13.142 ( 1.817 3.677 2.770) 4.949 13.158 ( 13.501 -17.874 1.401) 22.444 13.273 ( -1.972 6.230 0.818) 6.586 13.389 ( 6.531 -11.529 -4.216) 13.905 13.724 ( -1.266 -5.622 0.286) 5.770 14.009 ( 2.319 7.509 -6.021) 9.901 14.328 ( -6.887 8.142 -2.408) 10.933 14.673 ( -16.291 10.357 1.782) 19.387 15.243 ( 3.097 5.279 -17.715) 18.742 15.496 ( 1.294 7.061 -7.925) 10.692 15.606 ( -5.544 -1.098 -20.487) 21.252 15.635 ( -5.285 -1.512 -22.502) 23.164 16.640 ( 10.421 -7.679 1.041) 12.986 16.900 ( 7.948 -0.104 -3.444) 8.662 16.967 ( -1.181 3.333 -1.472) 3.830 17.486 ( -0.290 8.701 -12.462) 15.201 19.269 ( -0.404 -5.477 5.467) 7.749 19.514 ( -5.661 -8.173 -1.313) 10.028 ======================= Grid point 325 (104/192) ======================= q-point: ( 0.43 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.426 ( 38.869 -17.933 20.254) 47.356 5.091 ( -20.178 -22.524 5.337) 30.707 5.340 ( 23.003 12.588 34.660) 43.462 5.773 ( -18.064 3.386 28.014) 33.504 6.290 ( 8.420 12.091 10.279) 17.965 6.531 ( -7.871 15.060 26.618) 31.579 6.990 ( 9.477 -12.541 26.002) 30.384 7.133 ( -2.480 -14.644 12.175) 19.204 7.805 ( 10.045 8.835 29.278) 32.190 8.205 ( 21.020 23.819 14.772) 35.035 8.337 ( -33.054 25.772 18.331) 45.747 8.682 ( -25.310 25.578 13.485) 38.427 10.785 ( 7.808 -3.588 -19.208) 21.043 10.895 ( -3.594 -1.514 -20.565) 20.931 11.197 ( 6.745 -13.978 0.656) 15.535 11.278 ( -0.963 -7.564 2.775) 8.114 12.144 ( 9.658 9.431 -11.105) 17.480 12.331 ( -9.168 2.641 -11.979) 15.314 13.176 ( 2.173 6.154 1.224) 6.640 13.226 ( -2.591 7.084 0.611) 7.568 13.393 ( 8.132 -17.392 2.980) 19.429 13.474 ( 0.190 -13.411 0.921) 13.444 13.789 ( 8.891 -8.119 -5.336) 13.170 13.993 ( -7.277 -5.681 -9.361) 13.147 14.233 ( 1.642 11.170 1.986) 11.464 14.385 ( -11.784 10.516 2.525) 15.994 15.321 ( 4.865 5.285 -19.570) 20.847 15.438 ( -6.618 2.436 -20.638) 21.810 15.548 ( 1.434 4.186 -13.672) 14.370 15.584 ( -1.968 4.489 -12.831) 13.735 16.812 ( 6.267 -5.164 0.243) 8.124 16.905 ( -3.394 -0.482 -0.067) 3.429 17.130 ( 12.974 3.629 -6.001) 14.748 17.376 ( -10.104 3.789 -8.982) 14.040 19.305 ( 3.727 -4.421 1.207) 5.907 19.401 ( -5.465 -5.353 -1.139) 7.734 ======================= Grid point 329 (105/192) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( 0.000 38.754 28.446) 48.073 4.248 ( 0.000 40.712 35.872) 54.262 5.595 ( 0.000 16.333 -7.929) 18.156 6.165 ( 0.000 27.631 62.266) 68.122 6.294 ( 0.000 22.261 -5.440) 22.916 6.530 ( 0.000 6.101 31.491) 32.077 7.057 ( 0.000 1.064 33.226) 33.243 7.427 ( 0.000 -4.319 19.982) 20.444 8.017 ( 0.000 -16.524 19.182) 25.318 8.428 ( 0.000 -12.497 18.176) 22.058 8.700 ( 0.000 -13.666 0.714) 13.685 9.144 ( 0.000 -17.165 -4.466) 17.736 10.245 ( 0.000 -0.208 -6.642) 6.645 10.942 ( 0.000 -4.166 -15.341) 15.897 11.110 ( 0.000 7.364 2.769) 7.868 11.728 ( 0.000 18.683 -1.060) 18.713 11.811 ( 0.000 15.271 -5.456) 16.216 12.486 ( 0.000 -5.028 4.705) 6.885 12.592 ( 0.000 4.123 -9.474) 10.333 13.057 ( 0.000 -5.756 -4.182) 7.115 13.250 ( 0.000 6.292 2.235) 6.677 13.412 ( 0.000 0.393 -2.700) 2.728 13.770 ( 0.000 0.760 7.148) 7.188 14.109 ( 0.000 3.204 -4.582) 5.591 14.713 ( 0.000 5.713 -6.278) 8.488 15.160 ( 0.000 -0.871 -13.461) 13.489 15.457 ( 0.000 -14.675 -17.813) 23.079 15.516 ( 0.000 17.271 0.363) 17.275 15.665 ( 0.000 -9.466 -33.549) 34.859 15.697 ( 0.000 13.658 -6.761) 15.240 16.395 ( 0.000 2.452 -4.254) 4.910 16.515 ( 0.000 -2.295 -3.061) 3.825 17.071 ( 0.000 3.143 0.181) 3.148 17.746 ( 0.000 18.955 -13.386) 23.205 19.140 ( 0.000 -12.604 7.136) 14.483 19.295 ( 0.000 -20.665 0.194) 20.666 ======================= Grid point 330 (106/192) ======================= q-point: ( 0.14 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -9.286 32.876 31.513) 46.477 4.667 ( 25.037 31.297 30.533) 50.385 5.390 ( -14.135 11.223 -2.777) 18.261 6.270 ( 4.909 11.657 30.367) 32.896 6.365 ( 8.434 27.016 27.204) 39.256 6.561 ( -1.195 2.653 29.280) 29.424 7.150 ( 6.255 9.967 28.119) 30.482 7.252 ( -14.656 -6.621 14.095) 21.385 7.907 ( -6.428 -10.525 17.602) 21.492 8.149 ( -11.416 -0.991 26.576) 28.941 8.947 ( 14.439 -7.102 1.569) 16.167 9.469 ( 22.304 -14.989 -7.441) 27.884 10.224 ( -1.967 2.287 -1.742) 3.483 10.925 ( -13.116 5.092 1.285) 14.128 10.937 ( -0.467 -4.556 -15.676) 16.331 11.613 ( -9.904 14.390 -2.503) 17.648 11.969 ( 11.463 11.877 -4.404) 17.085 12.572 ( -1.668 4.153 -8.079) 9.235 12.603 ( 9.919 -5.796 2.966) 11.865 13.083 ( 2.607 -5.668 -4.088) 7.459 13.276 ( 2.632 7.134 1.013) 7.672 13.404 ( -0.814 -0.996 -1.685) 2.120 13.716 ( -4.761 1.095 6.230) 7.917 14.097 ( -1.413 2.030 -5.604) 6.126 14.608 ( -9.033 3.718 -6.073) 11.502 15.165 ( -10.644 -4.172 -10.941) 15.825 15.273 ( 0.359 7.330 -9.289) 11.838 15.599 ( -4.898 -7.521 -32.435) 33.654 15.644 ( 3.832 5.285 -9.552) 11.569 15.719 ( 2.049 11.449 -5.840) 13.015 16.397 ( 2.477 0.169 -1.183) 2.750 16.651 ( 10.467 -2.190 -5.800) 12.165 17.062 ( -0.806 3.378 -0.153) 3.476 17.754 ( -0.310 15.833 -13.656) 20.911 19.108 ( -1.857 -12.832 6.335) 14.431 19.306 ( 0.481 -16.950 -0.514) 16.964 ======================= Grid point 331 (107/192) ======================= q-point: ( 0.29 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 10.823 12.811 27.310) 32.048 4.940 ( -5.394 -3.783 1.257) 6.707 5.301 ( 10.928 16.725 31.985) 37.712 6.183 ( -10.875 1.477 13.369) 17.297 6.402 ( -12.330 -3.399 22.117) 25.548 6.650 ( 14.047 14.515 30.623) 36.685 7.044 ( -4.948 -2.681 21.991) 22.699 7.126 ( -7.376 14.874 29.377) 33.744 7.839 ( 4.515 8.630 33.081) 34.485 8.273 ( 20.210 21.264 14.782) 32.849 9.137 ( 2.306 6.570 -0.970) 7.030 9.630 ( -12.989 15.859 3.540) 20.803 10.311 ( 15.803 -9.571 -2.773) 18.683 10.762 ( -1.767 -6.413 -7.289) 9.868 10.924 ( -0.956 -6.042 -14.492) 15.730 11.375 ( -13.323 6.352 -2.349) 14.946 12.177 ( 8.793 6.684 -4.267) 11.841 12.516 ( -3.668 6.066 -7.829) 10.561 12.836 ( 12.242 -11.068 3.733) 16.921 13.162 ( 5.329 -3.835 -4.769) 8.114 13.331 ( 0.294 2.243 -0.360) 2.291 13.387 ( 0.606 -0.661 0.301) 0.946 13.618 ( -3.621 3.534 3.260) 6.019 14.032 ( -6.002 -2.131 -8.340) 10.494 14.424 ( -7.219 3.115 -4.498) 9.058 14.848 ( -16.657 3.810 -3.036) 17.355 15.356 ( 3.645 3.929 -17.439) 18.244 15.498 ( -4.358 -5.413 -29.169) 29.985 15.699 ( 2.286 9.789 -7.787) 12.715 15.757 ( 1.205 10.662 -5.370) 11.998 16.510 ( 8.391 -3.664 -0.175) 9.158 16.861 ( 8.232 -2.589 -3.843) 9.447 17.051 ( 1.217 4.317 -3.397) 5.626 17.683 ( -7.403 9.094 -12.138) 16.877 19.109 ( 2.218 -9.862 3.118) 10.579 19.299 ( -1.273 -11.859 -1.825) 12.066 ======================= Grid point 332 (108/192) ======================= q-point: ( 0.43 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 24.717 -9.253 17.987) 31.939 4.636 ( -22.316 -19.559 5.984) 30.271 5.551 ( 12.283 7.429 25.388) 29.165 5.855 ( -18.361 4.452 17.701) 25.890 6.384 ( 11.631 -0.433 26.805) 29.223 6.717 ( -17.183 -1.397 32.040) 36.384 6.911 ( 7.475 9.865 25.721) 28.544 7.058 ( -5.141 5.743 20.818) 22.199 8.219 ( 30.000 29.929 33.730) 54.161 8.670 ( 7.046 23.676 21.100) 32.487 8.986 ( -10.035 29.792 -1.718) 31.483 9.225 ( -19.471 25.733 5.262) 32.695 10.697 ( 18.376 -6.869 -12.144) 23.073 10.800 ( 3.566 -10.189 -14.209) 17.845 10.895 ( -1.360 -9.913 -8.492) 13.123 11.086 ( -15.583 -5.691 -1.195) 16.632 12.323 ( 6.081 4.871 -4.136) 8.821 12.430 ( -4.806 5.813 -5.493) 9.331 13.066 ( 10.325 -14.373 4.553) 18.274 13.242 ( -6.631 -12.116 3.045) 14.143 13.291 ( 6.002 1.469 -3.912) 7.313 13.392 ( -2.792 6.786 -1.395) 7.470 13.646 ( 7.082 1.799 -4.010) 8.334 13.847 ( -11.347 -3.580 -9.455) 15.198 14.386 ( 3.604 4.555 -2.279) 6.240 14.550 ( -12.269 4.911 -1.321) 13.282 15.402 ( 1.462 1.667 -22.443) 22.552 15.434 ( -2.110 -1.530 -25.248) 25.382 15.741 ( 1.754 11.576 -5.795) 13.064 15.764 ( -0.465 11.646 -5.400) 12.845 16.702 ( 9.770 -4.713 0.007) 10.848 16.865 ( -5.779 -3.028 0.418) 6.537 17.210 ( 12.485 3.965 -8.432) 15.579 17.472 ( -12.806 4.668 -9.615) 16.681 19.180 ( 4.197 -7.484 -0.552) 8.598 19.255 ( -3.080 -8.328 -2.160) 9.138 ======================= Grid point 336 (109/192) ======================= q-point: ( 0.00 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( 0.000 36.824 18.625) 41.267 4.931 ( 0.000 23.740 31.080) 39.110 5.905 ( 0.000 11.206 6.947) 13.184 6.520 ( 0.000 -4.091 15.787) 16.309 6.573 ( 0.000 -2.095 29.915) 29.988 6.630 ( 0.000 4.552 34.626) 34.924 7.135 ( 0.000 5.297 2.277) 5.766 7.390 ( 0.000 15.013 11.960) 19.195 8.017 ( 0.000 15.728 23.334) 28.139 8.181 ( 0.000 -6.725 37.398) 37.998 8.500 ( 0.000 -2.583 17.050) 17.245 8.944 ( 0.000 0.198 -2.682) 2.689 10.243 ( 0.000 0.028 -11.626) 11.626 10.825 ( 0.000 -6.707 -15.058) 16.484 11.344 ( 0.000 12.308 1.504) 12.399 11.903 ( 0.000 -0.873 -1.711) 1.921 12.072 ( 0.000 10.846 -3.406) 11.369 12.561 ( 0.000 10.791 4.106) 11.546 12.867 ( 0.000 20.963 -11.516) 23.918 12.936 ( 0.000 -7.405 -0.056) 7.405 13.257 ( 0.000 -13.476 -1.984) 13.621 13.373 ( 0.000 5.986 -3.306) 6.838 13.913 ( 0.000 11.290 7.680) 13.655 14.123 ( 0.000 -0.903 -2.638) 2.788 14.757 ( 0.000 -0.212 -9.780) 9.783 14.998 ( 0.000 -12.291 -17.366) 21.275 15.333 ( 0.000 1.483 -13.271) 13.354 15.410 ( 0.000 -13.855 -32.903) 35.702 15.762 ( 0.000 5.316 4.418) 6.912 15.956 ( 0.000 10.114 -4.101) 10.914 16.498 ( 0.000 0.595 -2.341) 2.415 16.589 ( 0.000 14.797 -3.999) 15.328 17.137 ( 0.000 3.509 -1.093) 3.676 18.085 ( 0.000 13.702 -15.094) 20.385 18.844 ( 0.000 -15.737 3.819) 16.194 18.850 ( 0.000 -22.010 -2.277) 22.128 ======================= Grid point 337 (110/192) ======================= q-point: ( 0.14 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.463 ( -20.468 32.680 23.334) 45.071 5.110 ( 1.201 9.835 12.324) 15.813 5.723 ( -11.581 21.101 20.269) 31.468 6.164 ( -14.029 -15.261 17.842) 27.351 6.641 ( 0.222 6.468 34.269) 34.874 6.888 ( 12.252 9.426 28.578) 32.491 7.041 ( -13.648 -3.149 5.560) 15.070 7.493 ( 5.555 15.441 12.667) 20.731 8.033 ( 8.617 27.083 27.631) 39.638 8.192 ( 9.443 -0.016 32.832) 34.163 8.734 ( 16.762 -9.746 14.097) 23.972 9.256 ( 25.350 0.504 -6.875) 26.271 10.273 ( 3.085 1.965 -10.217) 10.851 10.808 ( -1.759 -7.480 -14.422) 16.341 11.176 ( -14.962 15.969 2.728) 22.053 11.851 ( -7.821 7.448 -3.581) 11.378 12.072 ( 1.967 1.322 -3.020) 3.839 12.580 ( 0.823 1.022 3.914) 4.128 12.801 ( -3.859 11.570 -1.652) 12.308 13.016 ( 5.718 2.933 -10.725) 12.503 13.198 ( -5.418 -15.960 0.597) 16.865 13.433 ( 5.294 8.443 -4.264) 10.839 13.885 ( -1.989 12.331 6.630) 14.141 14.106 ( -2.220 0.026 -5.052) 5.519 14.658 ( -8.280 2.087 -7.898) 11.631 14.993 ( -2.332 -9.821 -14.927) 18.019 15.306 ( 0.459 -3.828 -23.725) 24.036 15.455 ( 0.504 -4.920 -20.156) 20.754 15.748 ( 0.496 2.967 2.730) 4.062 15.960 ( 0.527 9.466 -3.881) 10.244 16.476 ( -0.122 4.382 -1.865) 4.764 16.692 ( 7.798 7.836 -4.413) 11.903 17.133 ( -0.289 3.825 -2.265) 4.455 18.023 ( -6.832 9.465 -14.094) 18.301 18.794 ( 1.146 -16.933 1.650) 17.052 18.967 ( 5.674 -15.501 -2.029) 16.631 ======================= Grid point 338 (111/192) ======================= q-point: ( 0.29 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( -11.817 18.309 19.290) 29.103 4.833 ( -24.331 -5.038 0.013) 24.847 5.592 ( -1.548 7.827 20.547) 22.041 6.147 ( 9.885 5.286 31.482) 33.418 6.459 ( -22.391 8.122 17.652) 29.647 6.770 ( -0.066 2.592 20.112) 20.278 7.088 ( 2.793 1.915 34.549) 34.714 7.462 ( -8.735 15.931 32.804) 37.499 8.319 ( 22.792 26.537 26.693) 44.002 8.655 ( 27.975 15.376 13.334) 34.595 9.075 ( 15.723 -9.944 5.294) 19.342 9.730 ( 16.631 1.946 -7.125) 18.198 10.384 ( 9.109 10.997 -5.670) 15.364 10.748 ( -4.529 -9.548 -11.569) 15.669 10.835 ( -15.865 14.536 1.036) 21.542 11.599 ( -16.358 14.935 -6.196) 23.000 12.140 ( 4.239 -8.721 -2.323) 9.971 12.538 ( -5.555 -12.444 2.849) 13.922 12.770 ( 1.230 6.441 3.093) 7.251 13.059 ( -7.189 -17.198 2.332) 18.785 13.154 ( 7.534 4.171 -14.374) 16.756 13.542 ( 3.893 9.854 -7.998) 13.275 13.854 ( -0.866 14.890 4.717) 15.643 14.033 ( -4.322 3.341 -6.356) 8.381 14.501 ( -5.880 4.959 -5.846) 9.661 14.855 ( -10.983 -1.732 -8.029) 13.714 15.344 ( 1.973 -5.150 -27.296) 27.847 15.435 ( -0.988 -0.807 -14.218) 14.275 15.810 ( 4.982 1.109 -0.765) 5.161 15.974 ( 0.589 8.375 -2.875) 8.874 16.518 ( 4.407 3.005 -1.526) 5.548 16.837 ( 4.570 1.155 -1.789) 5.042 17.144 ( 2.768 5.189 -6.987) 9.133 17.815 ( -13.045 3.019 -11.269) 17.501 18.883 ( 6.539 -11.563 -1.204) 13.338 19.055 ( 2.878 -11.506 -3.784) 12.450 ======================= Grid point 339 (112/192) ======================= q-point: ( 0.43 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( 6.047 0.941 12.863) 14.245 4.343 ( -21.559 -8.032 5.766) 23.718 5.669 ( 9.575 6.085 12.061) 16.559 5.972 ( -20.053 7.956 8.307) 23.118 6.469 ( 16.315 9.745 42.456) 46.516 6.739 ( -7.744 4.275 35.284) 36.376 7.112 ( 3.231 8.031 34.061) 35.144 7.253 ( -9.874 12.087 32.731) 36.261 8.832 ( 23.760 18.258 16.229) 34.077 9.061 ( 5.539 9.689 12.831) 17.006 9.361 ( 16.701 12.650 0.355) 20.954 9.733 ( -15.159 20.259 3.011) 25.481 10.551 ( 3.021 3.383 -0.382) 4.552 10.648 ( -6.107 -10.385 -9.190) 15.152 10.798 ( 17.781 8.391 -9.677) 21.914 11.220 ( -21.100 15.466 -8.354) 27.462 12.244 ( 6.412 -13.433 -1.073) 14.923 12.392 ( -8.007 -14.720 1.153) 16.797 12.825 ( 3.868 -5.730 5.651) 8.930 12.923 ( -5.966 -14.369 5.820) 16.611 13.329 ( 9.659 4.697 -18.462) 21.359 13.511 ( -7.071 5.653 -16.575) 18.886 13.880 ( 3.605 16.431 3.250) 17.133 13.958 ( -3.569 12.787 0.322) 13.280 14.467 ( 3.095 4.149 -4.812) 7.067 14.617 ( -11.046 2.448 -4.354) 12.123 15.378 ( 1.794 -3.053 -24.152) 24.410 15.414 ( -1.521 -1.318 -18.476) 18.586 15.912 ( 4.410 3.875 -1.151) 5.982 15.970 ( -1.351 6.955 -1.766) 7.302 16.650 ( 8.349 -0.238 -0.939) 8.405 16.811 ( -6.294 -1.616 0.094) 6.499 17.290 ( 10.942 4.015 -10.054) 15.392 17.541 ( -13.654 1.802 -9.909) 16.967 19.009 ( 5.227 -9.032 -3.501) 11.007 19.074 ( -1.138 -9.148 -4.293) 10.169 ======================= Grid point 343 (113/192) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( 0.000 -11.054 13.384) 17.359 5.308 ( 0.000 6.117 10.691) 12.317 6.052 ( 0.000 7.240 32.094) 32.900 6.221 ( 0.000 -20.672 10.780) 23.314 6.359 ( 0.000 -11.244 11.945) 16.405 6.790 ( 0.000 13.395 32.098) 34.781 7.269 ( 0.000 10.538 2.626) 10.861 7.667 ( 0.000 11.056 1.504) 11.158 8.270 ( 0.000 12.366 43.488) 45.212 8.453 ( 0.000 -2.090 31.223) 31.293 8.769 ( 0.000 51.826 27.990) 58.901 9.307 ( 0.000 30.991 -3.044) 31.140 10.269 ( 0.000 3.270 -11.181) 11.649 10.689 ( 0.000 -6.131 -10.167) 11.873 11.452 ( 0.000 -4.037 -1.271) 4.232 11.776 ( 0.000 -9.853 -1.518) 9.969 12.303 ( 0.000 10.650 2.225) 10.880 12.730 ( 0.000 -11.549 -0.307) 11.553 12.801 ( 0.000 3.659 7.289) 8.156 12.915 ( 0.000 -10.983 1.317) 11.062 13.376 ( 0.000 24.754 -17.951) 30.578 13.497 ( 0.000 5.656 -9.480) 11.039 14.118 ( 0.000 1.626 -0.302) 1.654 14.161 ( 0.000 11.605 4.940) 12.613 14.753 ( 0.000 1.195 -12.824) 12.880 14.785 ( 0.000 -7.782 -19.134) 20.656 15.112 ( 0.000 -14.228 -30.496) 33.652 15.410 ( 0.000 5.224 -11.676) 12.791 15.813 ( 0.000 0.954 4.673) 4.770 16.078 ( 0.000 1.430 -2.466) 2.851 16.550 ( 0.000 4.633 2.412) 5.223 16.866 ( 0.000 9.363 4.361) 10.329 17.239 ( 0.000 7.235 -7.558) 10.463 18.296 ( 0.000 6.310 -16.592) 17.751 18.409 ( 0.000 -20.247 -6.103) 21.147 18.516 ( 0.000 -15.559 -0.580) 15.570 ======================= Grid point 344 (114/192) ======================= q-point: ( 0.14 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.797 ( -23.171 -6.759 11.325) 26.661 5.169 ( -14.586 1.598 5.430) 15.646 5.906 ( -13.220 -3.423 15.220) 20.448 6.205 ( 10.872 13.833 32.779) 37.202 6.713 ( 16.297 -8.667 23.976) 30.258 6.772 ( 2.194 7.455 28.177) 29.229 7.271 ( -14.167 16.467 4.618) 22.208 7.651 ( 10.761 0.273 -2.483) 11.047 8.157 ( -6.464 6.485 43.903) 44.848 8.553 ( 8.524 -7.002 27.077) 29.238 8.924 ( 16.374 49.348 25.320) 57.831 9.595 ( 21.338 26.382 -4.456) 34.222 10.347 ( 8.348 6.669 -10.452) 14.947 10.652 ( -3.737 -7.320 -8.443) 11.783 11.387 ( -6.313 0.948 -0.197) 6.387 11.795 ( 1.554 -9.925 -2.413) 10.332 12.201 ( -10.007 6.621 1.399) 12.080 12.526 ( -13.611 -3.982 1.934) 14.313 12.811 ( -4.395 -18.731 5.150) 19.917 12.934 ( 1.588 5.280 4.598) 7.180 13.307 ( -2.421 17.893 -20.098) 27.018 13.622 ( 7.976 9.398 -12.927) 17.862 14.119 ( 1.258 6.292 0.746) 6.460 14.169 ( -0.649 9.889 0.656) 9.932 14.712 ( -3.625 3.459 -10.249) 11.408 14.815 ( 2.464 -7.233 -15.133) 16.953 15.125 ( 1.837 -10.673 -28.480) 30.470 15.440 ( 0.958 1.745 -10.512) 10.699 15.788 ( -1.059 1.861 3.452) 4.062 16.074 ( -0.227 1.440 -2.739) 3.103 16.541 ( -0.407 3.214 2.575) 4.138 16.885 ( 1.389 7.185 3.799) 8.245 17.248 ( 0.998 8.030 -8.998) 12.101 18.095 ( -14.629 -3.830 -12.245) 19.459 18.470 ( 7.194 -13.194 -4.489) 15.683 18.683 ( 9.617 -11.482 -6.586) 16.362 ======================= Grid point 345 (115/192) ======================= q-point: ( 0.29 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( -17.851 3.783 9.861) 20.742 4.758 ( -23.885 -1.300 1.326) 23.957 5.770 ( -0.151 14.025 16.891) 21.955 6.439 ( 9.614 15.592 31.335) 36.296 6.714 ( -13.033 13.796 24.966) 31.361 6.836 ( -6.365 5.351 16.585) 18.553 7.079 ( 9.712 0.227 28.722) 30.321 7.774 ( -7.535 13.888 34.538) 37.981 8.265 ( 20.616 -16.737 11.201) 28.820 8.775 ( 12.095 -13.894 16.159) 24.504 9.370 ( 26.135 39.904 17.109) 50.676 9.933 ( 10.082 13.434 -7.315) 18.320 10.530 ( -4.947 -11.137 -9.785) 15.629 10.650 ( 18.750 15.606 -2.387) 24.512 11.199 ( -12.785 13.954 1.325) 18.972 11.800 ( -4.234 -6.274 -3.555) 8.362 11.954 ( -10.534 -5.621 0.064) 11.940 12.240 ( -14.147 -4.092 -0.152) 14.728 12.723 ( -2.975 -14.066 6.651) 15.841 12.901 ( -4.432 5.705 7.474) 10.395 13.332 ( 4.589 11.212 -23.333) 26.290 13.725 ( 0.410 6.967 -19.668) 20.870 14.152 ( 1.268 10.941 -3.525) 11.564 14.184 ( 4.574 12.652 4.607) 14.221 14.625 ( -4.611 6.526 -8.013) 11.316 14.819 ( -3.848 -1.101 -8.371) 9.279 15.196 ( 4.930 -8.439 -22.771) 24.780 15.410 ( -2.738 -1.615 -8.387) 8.969 15.822 ( 4.312 1.774 -0.522) 4.691 16.072 ( -0.279 1.291 -2.244) 2.604 16.556 ( 2.389 0.365 2.036) 3.160 16.889 ( -1.836 2.340 3.200) 4.369 17.289 ( 3.424 9.033 -11.496) 15.016 17.800 ( -13.970 -3.854 -10.667) 17.994 18.646 ( 9.326 -11.608 -5.423) 15.848 18.835 ( 5.157 -9.867 -7.667) 13.518 ======================= Grid point 346 (116/192) ======================= q-point: ( 0.43 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -0.683 9.459 7.880) 12.330 4.329 ( -16.600 6.712 4.481) 18.457 5.885 ( 11.439 15.620 11.171) 22.352 6.215 ( -20.743 15.767 6.017) 26.740 6.707 ( 8.871 10.285 38.388) 40.720 6.830 ( -2.256 2.336 33.673) 33.829 7.276 ( 10.922 9.706 36.836) 39.628 7.531 ( -13.856 14.881 39.716) 44.619 8.709 ( 19.343 -20.243 5.858) 28.605 8.922 ( -0.502 -17.441 7.940) 19.169 9.853 ( 17.732 24.792 5.139) 30.911 10.013 ( -1.085 8.650 -5.411) 10.261 10.487 ( 6.521 -5.088 -0.617) 8.294 10.814 ( -19.044 12.227 5.440) 23.276 11.132 ( 20.590 20.332 -6.381) 29.632 11.534 ( -17.935 5.387 -3.814) 19.111 11.908 ( 1.876 -12.477 -2.363) 12.836 12.004 ( -8.402 -8.313 -2.344) 12.050 12.715 ( 2.170 -6.654 8.326) 10.877 12.796 ( -5.326 0.745 8.065) 9.694 13.464 ( 8.090 7.531 -23.927) 26.356 13.633 ( -7.934 5.742 -23.873) 25.803 14.231 ( 5.079 15.862 -0.173) 16.657 14.273 ( 2.354 16.577 4.484) 17.333 14.563 ( 0.219 4.553 -7.601) 8.863 14.673 ( -8.818 3.369 -5.052) 10.707 15.293 ( 4.219 -5.359 -17.845) 19.104 15.360 ( -2.622 -3.615 -12.608) 13.375 15.936 ( 6.348 0.395 -0.462) 6.377 16.040 ( -3.417 0.716 -0.679) 3.556 16.648 ( 6.632 -1.315 1.203) 6.867 16.796 ( -7.072 -0.821 1.839) 7.353 17.391 ( 6.727 6.204 -11.683) 14.840 17.558 ( -10.115 0.595 -10.781) 14.796 18.808 ( 6.286 -10.588 -6.531) 13.938 18.881 ( -0.707 -9.804 -7.406) 12.307 ======================= Grid point 350 (117/192) ======================= q-point: ( 0.00 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.674 ( 0.000 -22.644 10.153) 24.816 5.089 ( 0.000 -21.539 9.642) 23.599 5.781 ( 0.000 -20.267 -0.870) 20.285 5.911 ( 0.000 -18.772 0.712) 18.786 6.453 ( 0.000 17.033 39.293) 42.826 7.070 ( 0.000 8.864 31.757) 32.971 7.675 ( 0.000 27.431 8.692) 28.775 7.955 ( 0.000 14.597 19.234) 24.146 8.494 ( 0.000 7.661 33.924) 34.778 8.597 ( 0.000 19.197 24.345) 31.003 9.840 ( 0.000 47.484 21.876) 52.281 9.976 ( 0.000 29.466 -6.893) 30.262 10.408 ( 0.000 11.108 -4.362) 11.934 10.582 ( 0.000 -3.826 0.592) 3.871 11.201 ( 0.000 -18.521 -3.613) 18.870 11.552 ( 0.000 -10.657 0.397) 10.664 12.291 ( 0.000 -11.923 7.592) 14.135 12.451 ( 0.000 -20.522 4.000) 20.908 12.629 ( 0.000 0.928 -2.203) 2.391 12.990 ( 0.000 1.026 8.434) 8.496 13.614 ( 0.000 6.935 -14.437) 16.016 13.834 ( 0.000 18.116 -23.827) 29.932 14.209 ( 0.000 6.535 -0.956) 6.604 14.350 ( 0.000 6.730 2.711) 7.255 14.670 ( 0.000 -3.980 -18.003) 18.437 14.744 ( 0.000 -8.849 -31.024) 32.261 14.974 ( 0.000 8.377 -7.145) 11.010 15.537 ( 0.000 6.749 -10.402) 12.400 15.821 ( 0.000 -0.012 3.655) 3.655 16.032 ( 0.000 -4.997 -1.739) 5.291 16.670 ( 0.000 6.209 7.070) 9.409 16.950 ( 0.000 0.078 7.188) 7.189 17.421 ( 0.000 8.979 -10.086) 13.504 18.010 ( 0.000 -17.269 -13.369) 21.839 18.233 ( 0.000 -11.214 -5.745) 12.600 18.364 ( 0.000 -0.414 -14.198) 14.204 ======================= Grid point 351 (118/192) ======================= q-point: ( 0.14 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( -9.821 -14.675 8.930) 19.788 5.105 ( -10.871 -6.485 0.319) 12.663 5.706 ( 12.811 -21.326 12.732) 27.947 6.168 ( 11.804 -11.345 11.409) 19.956 6.642 ( 14.152 4.471 32.261) 35.511 7.111 ( 4.253 14.305 27.145) 30.977 7.640 ( -4.561 20.916 14.974) 26.125 7.815 ( -11.150 17.846 3.501) 21.332 8.421 ( -12.673 17.148 34.067) 40.190 8.506 ( 1.003 3.751 33.854) 34.076 9.866 ( 5.532 38.457 15.265) 41.744 10.080 ( 6.089 16.919 -6.776) 19.216 10.444 ( -6.282 -6.869 -4.574) 10.372 10.660 ( 13.963 17.140 2.103) 22.208 11.193 ( 0.189 -18.341 -1.025) 18.371 11.589 ( 2.761 -6.231 0.450) 6.831 12.149 ( -13.783 -7.592 6.284) 16.944 12.350 ( -3.584 -17.911 2.872) 18.490 12.663 ( -0.755 5.903 0.605) 5.981 13.014 ( 1.420 0.054 5.643) 5.819 13.614 ( -0.827 10.937 -16.782) 20.048 13.828 ( 0.343 11.504 -23.493) 26.161 14.254 ( 3.332 6.974 -4.719) 9.056 14.358 ( 0.529 7.005 -0.021) 7.025 14.657 ( 3.065 -9.126 -17.092) 19.617 14.788 ( 0.677 1.263 -18.073) 18.129 15.014 ( 3.811 3.846 -9.593) 11.015 15.492 ( -4.536 2.730 -7.526) 9.201 15.843 ( 2.257 3.665 1.275) 4.489 16.041 ( 0.892 -3.567 -2.025) 4.198 16.613 ( -4.571 3.213 7.047) 8.993 16.953 ( -0.559 0.287 6.079) 6.111 17.439 ( 1.755 9.040 -10.329) 13.838 17.907 ( -9.564 -10.945 -14.265) 20.366 18.240 ( 5.175 -10.126 -6.409) 13.054 18.506 ( 8.541 -6.864 -12.438) 16.576 ======================= Grid point 352 (119/192) ======================= q-point: ( 0.29 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( -0.790 3.291 6.994) 7.770 4.822 ( -13.233 8.072 0.242) 15.502 6.025 ( 13.123 1.046 19.197) 23.277 6.429 ( 14.161 -13.807 18.152) 26.845 6.779 ( -0.175 1.856 27.442) 27.506 7.244 ( -22.232 25.012 13.138) 35.951 7.296 ( 8.391 18.610 21.359) 29.546 7.875 ( 11.386 -2.287 10.873) 15.909 8.191 ( -9.242 13.164 36.744) 40.110 8.548 ( 2.963 -6.197 28.129) 28.956 10.063 ( 9.854 22.054 3.639) 24.428 10.115 ( -3.278 -5.888 -1.848) 6.988 10.280 ( -4.179 -1.043 -3.433) 5.508 10.875 ( 3.454 -6.547 1.679) 7.590 11.260 ( 4.619 -3.206 3.363) 6.552 11.627 ( 1.128 4.314 -1.601) 4.738 11.879 ( -8.977 -0.038 1.953) 9.187 12.341 ( 1.299 0.343 1.953) 2.371 12.599 ( -3.534 6.947 2.024) 8.053 12.995 ( -4.096 2.337 6.243) 7.823 13.588 ( -0.436 13.468 -23.091) 26.735 13.830 ( -1.821 4.292 -24.683) 25.120 14.309 ( 3.815 2.562 -13.888) 14.628 14.430 ( 6.805 10.705 4.376) 13.418 14.720 ( -2.820 -3.314 -20.499) 20.956 14.803 ( 3.871 3.226 1.611) 5.290 15.093 ( 3.696 0.978 -8.859) 9.649 15.376 ( -5.871 -1.799 -4.032) 7.346 15.904 ( 3.599 6.057 -1.707) 7.249 16.062 ( 0.784 -0.984 -2.284) 2.608 16.538 ( -1.776 -2.009 5.866) 6.450 16.896 ( -5.593 -2.112 4.696) 7.603 17.486 ( 2.793 8.942 -10.733) 14.246 17.719 ( -7.838 -1.676 -13.963) 16.100 18.398 ( 9.206 -12.472 -7.358) 17.159 18.638 ( 4.155 -9.864 -11.517) 15.723 ======================= Grid point 353 (120/192) ======================= q-point: ( 0.43 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.450 ( 6.074 18.796 5.629) 20.539 4.605 ( -9.016 19.530 3.366) 21.772 6.250 ( 12.018 14.855 15.530) 24.623 6.528 ( -10.600 5.061 14.912) 18.983 6.782 ( 2.009 -1.955 23.170) 23.339 6.841 ( -7.727 7.990 18.244) 21.364 7.574 ( 14.626 18.418 34.788) 41.993 7.856 ( -12.474 15.640 36.583) 41.695 8.289 ( 16.129 -16.097 13.596) 26.535 8.547 ( -6.277 -16.585 17.373) 24.826 9.982 ( -0.353 -16.958 -2.352) 17.124 10.097 ( -8.177 -3.983 -5.144) 10.450 10.467 ( 17.779 6.818 4.078) 19.474 10.791 ( -12.071 -12.014 5.274) 17.829 11.327 ( 6.053 0.865 0.900) 6.180 11.514 ( -10.680 1.120 0.061) 10.739 11.984 ( 14.423 18.665 -4.001) 23.925 12.255 ( -10.737 19.591 -5.858) 23.096 12.652 ( 8.706 1.569 8.727) 12.427 12.851 ( -9.641 4.403 8.137) 13.362 13.629 ( 4.444 8.874 -25.866) 27.704 13.742 ( -6.029 5.188 -26.142) 27.325 14.438 ( 8.185 1.689 -13.968) 16.277 14.586 ( 1.654 11.439 -1.064) 11.607 14.616 ( 0.330 0.849 -9.693) 9.736 14.781 ( -6.868 8.144 2.362) 10.912 15.187 ( 5.611 -3.291 -5.871) 8.762 15.284 ( -3.965 -3.711 -4.491) 7.047 15.981 ( 3.979 4.311 -1.793) 6.134 16.050 ( -2.322 1.462 -1.462) 3.109 16.575 ( 5.713 -5.562 3.774) 8.821 16.738 ( -9.285 -5.251 3.507) 11.228 17.544 ( 2.895 8.182 -11.365) 14.301 17.607 ( -3.827 5.382 -12.684) 14.301 18.568 ( 7.106 -12.825 -8.833) 17.117 18.661 ( -1.866 -11.765 -10.336) 15.771 ======================= Grid point 357 (121/192) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 0.000 -10.247 10.935) 14.985 4.615 ( 0.000 -21.580 10.740) 24.105 5.452 ( 0.000 -10.693 -7.248) 12.918 5.548 ( 0.000 -14.406 -4.919) 15.223 6.800 ( 0.000 15.263 36.067) 39.163 7.145 ( 0.000 -0.725 32.071) 32.079 8.121 ( 0.000 11.946 28.250) 30.672 8.177 ( 0.000 6.507 35.291) 35.886 8.857 ( 0.000 26.991 15.036) 30.897 9.037 ( 0.000 21.668 6.982) 22.765 10.255 ( 0.000 -4.776 -2.647) 5.460 10.464 ( 0.000 3.444 1.803) 3.888 10.651 ( 0.000 3.275 13.220) 13.620 10.665 ( 0.000 13.030 -1.666) 13.136 10.935 ( 0.000 8.732 -1.618) 8.881 11.364 ( 0.000 -9.045 7.390) 11.681 12.096 ( 0.000 -2.553 1.452) 2.937 12.119 ( 0.000 -8.421 2.447) 8.769 12.565 ( 0.000 -6.641 9.121) 11.283 12.864 ( 0.000 -12.799 11.887) 17.468 13.808 ( 0.000 11.446 -22.150) 24.933 14.088 ( 0.000 6.030 -29.454) 30.065 14.345 ( 0.000 5.868 -5.129) 7.794 14.433 ( 0.000 -0.091 -8.768) 8.768 14.555 ( 0.000 -5.127 -11.886) 12.945 14.596 ( 0.000 -3.687 -11.685) 12.253 15.275 ( 0.000 16.701 -6.118) 17.786 15.649 ( 0.000 2.480 -9.003) 9.338 15.821 ( 0.000 0.262 2.589) 2.602 15.912 ( 0.000 -5.574 -0.224) 5.579 16.781 ( 0.000 4.427 7.277) 8.518 16.916 ( 0.000 -2.643 3.771) 4.605 17.558 ( 0.000 3.711 -8.500) 9.275 17.721 ( 0.000 -10.213 -15.282) 18.381 18.092 ( 0.000 -1.599 -10.909) 11.026 18.295 ( 0.000 -5.812 -13.775) 14.950 ======================= Grid point 358 (122/192) ======================= q-point: ( 0.14 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( 5.971 -0.149 10.011) 11.657 4.899 ( 19.805 -17.286 7.288) 27.279 5.321 ( -0.414 -6.964 -0.517) 6.995 5.797 ( 14.823 -20.719 -1.661) 25.529 6.873 ( 6.042 13.651 33.672) 36.833 7.218 ( 7.286 -1.096 29.617) 30.519 8.034 ( -8.324 12.854 31.156) 34.716 8.147 ( -3.506 9.005 25.034) 26.834 8.773 ( -13.853 24.298 16.831) 32.643 8.885 ( -8.243 26.485 14.699) 31.392 10.054 ( -19.018 -16.943 2.304) 25.575 10.326 ( -8.618 -6.135 3.750) 11.223 10.476 ( -0.212 14.482 0.273) 14.486 10.727 ( -12.520 -8.905 -4.204) 15.929 11.087 ( 16.570 11.658 6.692) 21.337 11.545 ( 10.180 -5.987 4.700) 12.711 12.026 ( -3.806 3.109 3.297) 5.918 12.163 ( 7.841 2.239 2.570) 8.549 12.690 ( 7.636 -3.993 7.338) 11.318 12.901 ( 3.277 -10.931 8.378) 14.157 13.817 ( 0.932 10.310 -21.602) 23.954 14.046 ( -3.437 7.370 -27.917) 29.077 14.335 ( -5.101 0.220 -19.312) 19.975 14.455 ( 2.576 -8.438 -17.944) 19.996 14.502 ( 5.007 7.528 4.546) 10.120 14.760 ( 8.507 -3.412 -5.469) 10.673 15.219 ( -3.989 12.094 -4.825) 13.618 15.518 ( -9.328 -1.092 -5.181) 10.726 15.930 ( 7.004 3.970 -0.171) 8.053 15.976 ( 5.049 -1.751 -0.184) 5.347 16.672 ( -8.608 3.220 6.003) 10.978 16.909 ( -2.747 -4.803 4.295) 7.005 17.569 ( 1.386 3.485 -9.058) 9.804 17.749 ( 2.498 -4.468 -16.637) 17.406 18.090 ( 0.998 -2.340 -9.138) 9.485 18.352 ( 4.181 -8.526 -13.638) 16.618 ======================= Grid point 359 (123/192) ======================= q-point: ( 0.29 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( 17.100 15.573 7.918) 24.446 5.088 ( 2.258 16.786 -0.248) 16.939 5.653 ( 27.075 -27.572 12.456) 40.601 6.080 ( 12.777 -22.282 7.270) 26.695 6.968 ( 2.300 14.677 27.194) 30.987 7.436 ( 14.042 -4.284 25.408) 29.344 7.744 ( -21.995 21.022 18.175) 35.441 8.059 ( -3.622 11.711 17.331) 21.228 8.456 ( -11.208 11.865 32.397) 36.276 8.704 ( -12.561 25.782 22.101) 36.207 9.612 ( -20.501 -30.284 4.872) 36.894 10.122 ( -18.172 -25.763 2.828) 31.654 10.526 ( 4.342 13.552 -3.973) 14.775 10.611 ( 6.844 2.101 1.635) 7.343 11.271 ( 1.844 -0.285 3.507) 3.973 11.586 ( -5.626 -12.610 0.446) 13.816 12.126 ( 13.188 21.994 2.235) 25.742 12.412 ( 15.083 8.629 3.955) 17.821 12.766 ( -0.308 4.388 3.843) 5.842 12.959 ( 1.287 -6.030 4.104) 7.407 13.838 ( 0.580 9.392 -22.273) 24.179 13.966 ( -4.400 9.933 -27.011) 29.114 14.249 ( -0.724 -6.161 -23.279) 24.091 14.515 ( 0.971 -11.485 -21.691) 24.564 14.650 ( 8.827 9.951 5.388) 14.352 14.906 ( 6.085 1.673 4.365) 7.673 15.172 ( -0.401 4.844 -2.136) 5.309 15.330 ( -8.944 -2.666 -2.107) 9.568 16.034 ( 3.586 5.028 -0.591) 6.204 16.087 ( 5.149 3.917 -0.448) 6.485 16.498 ( -7.488 -0.429 4.839) 8.926 16.785 ( -9.065 -8.565 3.608) 12.983 17.625 ( 4.256 6.235 -10.104) 12.613 17.799 ( 1.777 6.988 -16.503) 18.009 18.156 ( 5.440 -9.465 -8.156) 13.627 18.415 ( 1.404 -11.875 -13.092) 17.731 ======================= Grid point 360 (124/192) ======================= q-point: ( 0.43 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.925 ( 14.927 26.897 6.049) 31.350 5.099 ( -2.510 27.648 3.600) 27.995 6.124 ( 16.752 -24.462 14.626) 33.060 6.259 ( 3.042 -22.829 13.678) 26.786 7.007 ( 4.598 20.938 18.123) 28.071 7.263 ( -21.289 25.673 11.949) 35.428 7.756 ( 17.167 -9.632 23.024) 30.292 8.008 ( -4.515 0.315 21.958) 22.420 8.324 ( -3.562 7.849 30.257) 31.461 8.408 ( -13.547 20.162 25.303) 35.075 9.410 ( 3.149 -32.908 7.664) 33.935 9.688 ( -21.197 -31.712 5.932) 38.603 10.686 ( 8.913 12.914 -2.488) 15.887 10.764 ( 3.440 9.256 -1.320) 9.963 11.274 ( 2.155 -7.037 1.901) 7.601 11.414 ( -9.836 -10.804 0.953) 14.642 12.419 ( 13.869 20.288 -1.683) 24.633 12.621 ( -2.634 14.763 -1.879) 15.114 12.757 ( 6.987 5.731 5.141) 10.397 12.919 ( -5.605 0.456 4.816) 7.404 13.839 ( 0.480 10.557 -25.462) 27.568 13.881 ( -3.602 10.383 -26.659) 28.836 14.323 ( 6.825 -10.642 -21.700) 25.114 14.462 ( -5.802 -12.131 -22.304) 26.044 14.835 ( 9.239 10.513 5.361) 14.987 14.972 ( -1.952 8.116 5.887) 10.214 15.167 ( -0.109 -0.236 1.823) 1.841 15.201 ( -2.920 -4.315 1.157) 5.337 16.096 ( 2.873 6.203 -0.753) 6.877 16.141 ( -0.514 7.588 -1.014) 7.673 16.436 ( 2.771 -7.374 3.808) 8.749 16.583 ( -10.093 -9.423 3.029) 14.136 17.723 ( 4.901 10.255 -11.223) 15.973 17.798 ( -2.091 12.067 -13.413) 18.163 18.286 ( 6.744 -14.328 -10.303) 18.892 18.394 ( -3.487 -14.101 -12.110) 18.912 ======================= Grid point 364 (125/192) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.293 ( 0.000 -8.133 11.166) 13.813 4.293 ( 0.000 8.133 11.166) 13.813 5.367 ( 0.000 -2.590 -7.932) 8.345 5.367 ( 0.000 2.590 -7.932) 8.345 7.049 ( 0.000 -8.587 33.339) 34.427 7.049 ( 0.000 8.587 33.339) 34.427 8.232 ( 0.000 -0.858 37.683) 37.693 8.232 ( 0.000 0.858 37.683) 37.693 9.294 ( 0.000 -4.840 2.265) 5.344 9.294 ( 0.000 4.840 2.265) 5.344 10.174 ( 0.000 -7.431 7.579) 10.615 10.174 ( 0.000 7.432 7.579) 10.615 10.836 ( 0.000 -1.433 -8.018) 8.145 10.836 ( 0.000 1.433 -8.018) 8.146 11.134 ( 0.000 -10.089 9.490) 13.851 11.134 ( 0.000 10.089 9.490) 13.851 12.124 ( 0.000 -2.776 1.978) 3.409 12.124 ( 0.000 2.776 1.978) 3.409 12.554 ( 0.000 -11.783 14.732) 18.864 12.554 ( 0.000 11.783 14.732) 18.864 14.039 ( 0.000 -9.377 -28.913) 30.396 14.039 ( 0.000 9.377 -28.913) 30.396 14.419 ( 0.000 -0.603 -19.018) 19.028 14.419 ( 0.000 0.603 -19.019) 19.028 14.532 ( 0.000 -1.285 3.995) 4.197 14.532 ( 0.000 1.285 3.995) 4.197 15.569 ( 0.000 -10.317 -7.488) 12.748 15.569 ( 0.000 10.317 -7.488) 12.748 15.840 ( 0.000 -1.719 1.618) 2.361 15.840 ( 0.000 1.719 1.618) 2.361 16.856 ( 0.000 -3.149 3.511) 4.716 16.856 ( 0.000 3.149 3.511) 4.716 17.600 ( 0.000 -2.301 -11.428) 11.657 17.600 ( 0.000 2.301 -11.428) 11.657 18.158 ( 0.000 -6.450 -13.181) 14.674 18.158 ( 0.000 6.450 -13.181) 14.674 ======================= Grid point 366 (126/192) ======================= q-point: ( 0.14 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 19.932 -16.118 10.713) 27.782 4.504 ( 19.932 16.118 10.713) 27.782 5.427 ( 5.892 -13.605 -5.304) 15.746 5.427 ( 5.892 13.605 -5.304) 15.746 7.113 ( 5.908 -8.833 31.483) 33.228 7.113 ( 5.908 8.833 31.483) 33.228 8.188 ( -4.368 -3.081 35.880) 36.276 8.188 ( -4.368 3.081 35.880) 36.276 9.234 ( -8.225 -8.733 4.416) 12.784 9.234 ( -8.225 8.733 4.416) 12.784 9.883 ( -23.134 -15.852 7.951) 29.149 9.883 ( -23.134 15.852 7.951) 29.149 10.704 ( -6.693 -4.201 -1.789) 8.102 10.704 ( -6.693 4.201 -1.789) 8.102 11.290 ( 7.365 -12.141 2.894) 14.492 11.290 ( 7.365 12.141 2.894) 14.492 12.235 ( 10.661 -4.498 2.462) 11.830 12.235 ( 10.661 4.498 2.462) 11.830 12.649 ( 8.073 -7.456 12.161) 16.390 12.649 ( 8.073 7.456 12.161) 16.390 14.027 ( -1.087 -8.542 -28.371) 29.649 14.027 ( -1.087 8.542 -28.371) 29.649 14.349 ( -3.743 -3.155 -18.119) 18.768 14.349 ( -3.743 3.155 -18.119) 18.768 14.652 ( 8.563 -6.716 2.563) 11.180 14.652 ( 8.563 6.716 2.563) 11.180 15.428 ( -9.448 -7.573 -4.901) 13.063 15.428 ( -9.448 7.573 -4.901) 13.063 15.970 ( 8.552 -0.271 0.771) 8.591 15.970 ( 8.552 0.271 0.771) 8.591 16.775 ( -7.532 -6.825 2.960) 10.586 16.775 ( -7.532 6.825 2.960) 10.586 17.649 ( 4.841 -5.104 -11.676) 13.631 17.649 ( 4.841 5.104 -11.676) 13.631 18.170 ( 0.868 -8.164 -12.820) 15.224 18.170 ( 0.868 8.164 -12.820) 15.224 ======================= Grid point 368 (127/192) ======================= q-point: ( 0.29 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.012 ( 28.400 -25.091 9.715) 39.122 5.012 ( 28.400 25.091 9.715) 39.122 5.584 ( 8.794 -23.072 0.749) 24.703 5.584 ( 8.794 23.072 0.749) 24.703 7.258 ( 7.919 -12.097 27.159) 30.768 7.258 ( 7.919 12.097 27.159) 30.768 8.053 ( -9.954 -9.015 28.793) 31.771 8.053 ( -9.954 9.015 28.793) 31.771 8.930 ( -18.111 -28.588 11.851) 35.857 8.930 ( -18.111 28.588 11.851) 35.857 9.421 ( -22.358 -34.718 10.051) 42.500 9.421 ( -22.358 34.718 10.051) 42.500 10.701 ( 6.909 -1.138 -0.450) 7.017 10.701 ( 6.909 1.138 -0.450) 7.017 11.322 ( -3.765 -8.794 0.411) 9.575 11.322 ( -3.765 8.794 0.411) 9.575 12.496 ( 13.702 -8.228 1.664) 16.069 12.496 ( 13.702 8.228 1.664) 16.069 12.806 ( 6.096 -4.974 6.834) 10.421 12.806 ( 6.096 4.974 6.834) 10.421 14.012 ( 0.311 -7.630 -26.505) 27.583 14.012 ( 0.311 7.630 -26.505) 27.583 14.279 ( -3.970 -10.793 -22.471) 25.243 14.279 ( -3.970 10.793 -22.471) 25.243 14.835 ( 9.360 -7.356 5.755) 13.223 14.835 ( 9.360 7.356 5.755) 13.223 15.265 ( -6.544 -3.852 -1.621) 7.764 15.265 ( -6.544 3.852 -1.621) 7.764 16.115 ( 5.906 -2.399 1.455) 6.538 16.115 ( 5.906 2.399 1.455) 6.538 16.587 ( -10.484 -8.888 2.065) 13.899 16.587 ( -10.484 8.888 2.065) 13.899 17.785 ( 8.388 -8.075 -12.137) 16.819 17.785 ( 8.388 8.075 -12.137) 16.819 18.171 ( -1.226 -10.275 -12.244) 16.031 18.171 ( -1.226 10.275 -12.244) 16.031 ======================= Grid point 370 (128/192) ======================= q-point: ( 0.43 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.522 ( 19.401 -29.049 8.791) 36.021 5.522 ( 19.401 29.049 8.791) 36.021 5.706 ( 0.714 -27.996 6.455) 28.739 5.706 ( 0.714 27.996 6.455) 28.739 7.436 ( 11.300 -19.079 21.995) 31.233 7.436 ( 11.300 19.079 21.995) 31.233 7.751 ( -18.748 -20.156 19.731) 33.869 7.751 ( -18.748 20.156 19.731) 33.869 8.755 ( 3.221 -28.859 18.538) 34.451 8.755 ( 3.221 28.859 18.538) 34.451 8.999 ( -18.626 -32.910 15.051) 40.701 8.999 ( -18.626 32.910 15.051) 40.701 10.922 ( 13.191 -4.389 -0.419) 13.909 10.922 ( 13.191 4.389 -0.419) 13.909 11.170 ( -10.704 -6.514 -0.191) 12.532 11.170 ( -10.704 6.514 -0.191) 12.532 12.734 ( 9.383 -8.402 0.364) 12.601 12.734 ( 9.383 8.402 0.364) 12.601 12.852 ( -1.936 -6.216 1.914) 6.786 12.852 ( -1.936 6.216 1.914) 6.786 14.061 ( 4.602 -10.926 -24.600) 27.308 14.061 ( 4.602 10.926 -24.600) 27.308 14.176 ( -6.108 -13.647 -23.842) 28.142 14.176 ( -6.108 13.647 -23.842) 28.142 15.013 ( 8.132 -5.769 5.841) 11.555 15.013 ( 8.132 5.769 5.841) 11.555 15.151 ( -5.728 -1.614 2.534) 6.468 15.151 ( -5.728 1.614 2.534) 6.468 16.229 ( 6.230 -5.016 1.490) 8.136 16.229 ( 6.230 5.016 1.490) 8.136 16.384 ( -9.287 -7.787 1.476) 12.209 16.384 ( -9.287 7.787 1.476) 12.209 17.962 ( 8.645 -10.108 -12.172) 18.030 17.962 ( 8.645 10.108 -12.172) 18.030 18.107 ( -5.387 -10.920 -12.038) 17.122 18.107 ( -5.387 10.920 -12.038) 17.122 ======================= Grid point 420 (129/192) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 0.000 0.000 39.172) 39.172 3.830 ( 0.000 0.000 34.787) 34.787 4.874 ( 0.000 0.000 -18.566) 18.566 5.141 ( 0.000 0.000 -26.546) 26.546 6.957 ( 0.000 0.000 23.474) 23.474 6.980 ( 0.000 0.000 46.293) 46.293 7.826 ( 0.000 0.000 17.674) 17.674 7.865 ( 0.000 0.000 32.121) 32.121 8.473 ( 0.000 0.000 1.487) 1.487 8.661 ( 0.000 0.000 -8.039) 8.039 9.239 ( 0.000 0.000 18.301) 18.301 9.919 ( 0.000 0.000 -11.494) 11.494 10.393 ( 0.000 0.000 -4.300) 4.300 10.675 ( 0.000 0.000 -25.375) 25.375 10.854 ( 0.000 0.000 8.087) 8.087 11.017 ( 0.000 0.000 -0.084) 0.084 11.366 ( 0.000 0.000 17.737) 17.737 12.338 ( 0.000 0.000 -13.757) 13.757 13.088 ( 0.000 0.000 2.017) 2.017 13.198 ( 0.000 0.000 -2.658) 2.658 13.326 ( 0.000 0.000 -6.373) 6.373 13.418 ( 0.000 0.000 -3.599) 3.599 13.699 ( 0.000 0.000 0.084) 0.084 13.705 ( 0.000 0.000 -0.652) 0.652 14.221 ( 0.000 0.000 11.740) 11.740 14.821 ( 0.000 0.000 -10.452) 10.452 14.911 ( 0.000 0.000 -4.525) 4.525 15.258 ( 0.000 0.000 -5.140) 5.140 15.375 ( 0.000 0.000 -16.027) 16.027 15.440 ( 0.000 0.000 -26.883) 26.883 16.544 ( 0.000 0.000 4.637) 4.637 16.776 ( 0.000 0.000 -7.238) 7.238 16.872 ( 0.000 0.000 0.984) 0.984 16.934 ( 0.000 0.000 -1.967) 1.967 19.582 ( 0.000 0.000 6.601) 6.601 19.763 ( 0.000 0.000 -2.935) 2.935 ======================= Grid point 421 (130/192) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 17.949 0.000 36.026) 40.250 4.119 ( 27.486 0.000 31.142) 41.537 5.041 ( 16.254 0.000 -15.659) 22.570 5.233 ( 8.632 0.000 -24.675) 26.141 6.972 ( -0.462 0.000 23.880) 23.885 7.040 ( 5.108 0.000 44.987) 45.276 7.722 ( -8.360 0.000 19.433) 21.155 7.857 ( 0.001 0.000 27.717) 27.717 8.228 ( -21.408 0.000 3.852) 21.752 8.508 ( -15.357 0.000 -9.959) 18.303 9.171 ( -6.836 0.000 21.289) 22.360 9.881 ( -5.940 0.000 -5.541) 8.124 10.370 ( -1.502 0.000 -3.902) 4.181 10.639 ( -3.347 0.000 -22.311) 22.560 10.974 ( 10.811 0.000 7.552) 13.187 11.128 ( 9.594 0.000 -0.106) 9.595 11.353 ( 0.112 0.000 7.204) 7.205 12.326 ( -3.172 0.000 -18.546) 18.816 13.089 ( 0.059 0.000 1.759) 1.760 13.188 ( -0.982 0.000 -2.457) 2.646 13.369 ( 4.042 0.000 -3.888) 5.609 13.459 ( 5.910 0.000 -2.455) 6.400 13.702 ( 0.333 0.000 0.075) 0.342 13.710 ( 0.420 0.000 -0.613) 0.743 14.224 ( 0.334 0.000 10.134) 10.140 14.795 ( -4.475 0.000 -4.657) 6.459 14.872 ( -2.155 0.000 -8.725) 8.987 15.262 ( -2.358 0.000 -12.783) 12.998 15.297 ( -4.776 0.000 -17.675) 18.309 15.406 ( -2.263 0.000 -14.623) 14.797 16.602 ( 6.876 0.000 6.130) 9.212 16.870 ( -0.224 0.000 0.838) 0.867 16.926 ( -0.793 0.000 -1.837) 2.001 16.933 ( 11.981 0.000 -10.531) 15.952 19.532 ( -4.521 0.000 6.155) 7.637 19.702 ( -5.645 0.000 -2.730) 6.270 ======================= Grid point 422 (131/192) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( 28.749 0.000 28.087) 40.191 4.838 ( 41.684 0.000 24.833) 48.521 5.433 ( 9.162 0.000 -17.799) 20.019 5.490 ( 27.532 0.000 -8.457) 28.801 6.812 ( -16.225 0.000 25.846) 30.517 7.092 ( -6.188 0.000 27.627) 28.311 7.638 ( 4.829 0.000 29.284) 29.680 7.749 ( -23.155 0.000 4.872) 23.662 7.911 ( 5.750 0.000 20.967) 21.741 8.098 ( -23.642 0.000 -11.612) 26.340 8.983 ( -10.700 0.000 29.529) 31.408 9.604 ( -21.649 0.000 14.536) 26.076 10.371 ( 1.870 0.000 -9.073) 9.264 10.566 ( -3.475 0.000 -19.766) 20.069 11.219 ( 12.123 0.000 5.976) 13.516 11.330 ( 9.146 0.000 0.544) 9.162 11.417 ( 6.428 0.000 -11.661) 13.315 12.159 ( -12.896 0.000 -25.551) 28.621 13.091 ( 0.250 0.000 1.022) 1.052 13.161 ( -1.660 0.000 -1.907) 2.528 13.520 ( 11.180 0.000 0.658) 11.200 13.656 ( 12.439 0.000 -3.013) 12.799 13.711 ( 0.537 0.000 0.053) 0.540 13.719 ( 0.446 0.000 -0.503) 0.673 14.226 ( -0.699 0.000 9.694) 9.719 14.621 ( -11.679 0.000 2.850) 12.022 14.854 ( -0.155 0.000 -13.420) 13.421 15.112 ( -7.644 0.000 -26.345) 27.431 15.291 ( 0.278 0.000 -5.219) 5.226 15.360 ( -2.319 0.000 -9.312) 9.596 16.802 ( 11.962 0.000 4.692) 12.849 16.866 ( -0.107 0.000 0.419) 0.433 16.905 ( -1.179 0.000 -1.458) 1.875 17.140 ( 6.996 0.000 -11.395) 13.372 19.433 ( -4.495 0.000 4.488) 6.352 19.565 ( -7.294 0.000 -2.317) 7.653 ======================= Grid point 423 (132/192) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( 27.684 0.000 16.381) 32.168 5.468 ( -8.875 0.000 -1.633) 9.024 5.676 ( 39.567 0.000 22.421) 45.478 6.098 ( 32.189 0.000 0.148) 32.189 6.359 ( -28.293 0.000 23.724) 36.923 6.722 ( -27.691 0.000 9.051) 29.133 7.454 ( -2.800 0.000 -2.174) 3.545 7.646 ( -19.132 0.000 -10.253) 21.706 7.886 ( 14.225 0.000 29.613) 32.852 8.021 ( 1.975 0.000 20.868) 20.961 8.844 ( 0.793 0.000 37.903) 37.911 9.113 ( -23.526 0.000 31.718) 39.491 10.431 ( 3.625 0.000 -14.908) 15.343 10.501 ( -3.247 0.000 -18.269) 18.555 11.411 ( 6.249 0.000 4.003) 7.422 11.451 ( 2.301 0.000 2.053) 3.084 11.599 ( 11.551 0.000 -22.979) 25.719 11.868 ( -14.879 0.000 -27.161) 30.969 13.102 ( 0.865 0.000 -0.025) 0.865 13.127 ( -1.601 0.000 -1.077) 1.930 13.721 ( 0.386 0.000 -0.066) 0.391 13.725 ( 0.068 0.000 -0.291) 0.299 13.770 ( 11.978 0.000 0.017) 11.978 13.874 ( 5.399 0.000 -4.789) 7.217 14.200 ( 0.937 0.000 12.992) 13.026 14.367 ( -12.722 0.000 7.490) 14.764 14.882 ( 3.454 0.000 -17.503) 17.840 14.980 ( -5.819 0.000 -22.294) 23.040 15.296 ( 0.474 0.000 -6.375) 6.393 15.317 ( -1.708 0.000 -7.749) 7.935 16.868 ( 0.404 0.000 -0.197) 0.449 16.882 ( -0.982 0.000 -0.875) 1.316 17.035 ( 10.380 0.000 -0.440) 10.389 17.179 ( -3.123 0.000 -7.045) 7.706 19.384 ( 0.099 0.000 1.497) 1.501 19.438 ( -4.949 0.000 -1.158) 5.082 ======================= Grid point 427 (133/192) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 0.000 18.607 31.922) 36.949 4.163 ( 0.000 30.993 35.866) 47.402 5.009 ( 0.000 12.960 -17.032) 21.402 5.398 ( 0.000 23.693 -24.327) 33.958 7.010 ( 0.000 4.933 24.228) 24.725 7.048 ( 0.000 6.821 45.272) 45.783 7.807 ( 0.000 -2.596 14.610) 14.839 7.816 ( 0.000 -5.121 28.897) 29.348 8.502 ( 0.000 0.633 4.620) 4.663 8.715 ( 0.000 4.361 -4.789) 6.477 9.000 ( 0.000 -18.422 16.579) 24.784 9.526 ( 0.000 -28.167 -7.826) 29.234 10.296 ( 0.000 -6.074 -2.983) 6.767 10.637 ( 0.000 -2.939 -23.019) 23.205 11.189 ( 0.000 6.536 11.211) 12.977 11.217 ( 0.000 25.314 1.348) 25.350 11.421 ( 0.000 10.636 6.727) 12.585 12.327 ( 0.000 -0.912 -14.525) 14.554 12.931 ( 0.000 -21.871 1.272) 21.908 13.067 ( 0.000 -8.320 -6.713) 10.690 13.230 ( 0.000 3.652 4.516) 5.807 13.357 ( 0.000 3.781 2.619) 4.599 13.776 ( 0.000 1.782 -4.963) 5.273 13.858 ( 0.000 8.337 -5.387) 9.926 14.513 ( 0.000 16.237 9.689) 18.908 14.895 ( 0.000 5.044 -8.220) 9.644 14.988 ( 0.000 9.779 -10.140) 14.088 15.297 ( 0.000 -0.029 -9.576) 9.576 15.337 ( 0.000 -2.563 -12.925) 13.176 15.360 ( 0.000 -2.161 -19.762) 19.880 16.463 ( 0.000 -6.113 2.813) 6.729 16.575 ( 0.000 -8.913 -2.347) 9.217 17.004 ( 0.000 5.481 0.742) 5.531 17.151 ( 0.000 16.312 -7.104) 17.792 19.492 ( 0.000 -8.558 5.713) 10.289 19.635 ( 0.000 -12.069 -1.931) 12.222 ======================= Grid point 428 (134/192) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 5.351 8.212 32.905) 34.333 4.582 ( 29.448 30.611 28.707) 51.267 4.997 ( 2.329 4.673 -15.526) 16.380 5.605 ( 17.007 26.910 -19.827) 37.503 7.014 ( -2.316 3.570 24.003) 24.377 7.105 ( 4.654 6.494 41.026) 41.797 7.647 ( -13.272 -7.245 16.660) 22.499 7.788 ( -2.281 -6.704 22.980) 24.047 8.295 ( -15.190 5.222 8.547) 18.195 8.519 ( -15.306 0.776 1.922) 15.446 9.078 ( 3.394 -6.160 14.192) 15.839 9.659 ( 7.844 -17.035 -7.233) 20.101 10.304 ( 0.586 -4.765 -2.320) 5.332 10.612 ( -2.655 -2.228 -21.416) 21.695 11.062 ( -6.744 -0.998 14.020) 15.590 11.255 ( 1.928 16.828 1.094) 16.973 11.531 ( 8.739 15.158 -1.567) 17.567 12.306 ( -3.657 -1.601 -18.545) 18.970 12.990 ( 6.824 -18.645 2.364) 19.995 13.132 ( 5.536 -5.017 -4.113) 8.529 13.230 ( 0.533 -0.516 3.339) 3.421 13.342 ( -1.402 4.673 1.982) 5.266 13.757 ( -1.529 0.236 -2.828) 3.224 13.870 ( 0.940 7.443 -5.241) 9.152 14.450 ( -4.997 11.202 6.683) 13.968 14.908 ( -7.135 11.104 -4.888) 14.075 14.923 ( 0.751 5.046 -9.071) 10.407 15.176 ( -8.837 -9.910 -25.581) 28.822 15.327 ( 1.880 5.756 -5.178) 7.967 15.419 ( 1.354 2.905 -10.939) 11.398 16.520 ( 6.181 -6.411 3.856) 9.705 16.674 ( 7.626 -8.703 -3.298) 12.033 16.996 ( -0.768 5.481 1.161) 5.655 17.191 ( 3.397 14.535 -9.064) 17.463 19.448 ( -3.991 -8.099 5.416) 10.529 19.588 ( -4.396 -10.750 -2.001) 11.785 ======================= Grid point 429 (135/192) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( 22.624 -8.181 26.545) 35.825 5.034 ( 10.801 -10.291 -6.662) 16.338 5.328 ( 32.417 25.889 18.556) 45.447 5.963 ( 16.439 23.019 -8.931) 29.662 6.809 ( -18.097 -0.593 21.089) 27.795 7.070 ( -10.526 -2.513 14.284) 17.920 7.501 ( 1.204 -4.094 28.715) 29.030 7.658 ( -14.546 -7.323 17.644) 24.011 8.119 ( 2.686 17.318 8.942) 19.675 8.262 ( -6.980 11.915 11.837) 18.188 9.054 ( -5.578 6.198 20.610) 22.233 9.635 ( -12.697 2.972 9.247) 15.986 10.330 ( 2.686 -3.513 -6.553) 7.906 10.541 ( -3.545 -1.922 -18.907) 19.332 11.025 ( 3.601 -14.466 1.609) 14.994 11.304 ( 2.231 3.502 1.354) 4.367 11.713 ( 8.675 16.658 -8.742) 20.717 12.163 ( -9.417 1.398 -22.543) 24.471 13.180 ( 5.209 -1.494 1.613) 5.655 13.205 ( 6.093 0.396 2.306) 6.527 13.292 ( 1.670 -3.791 0.382) 4.160 13.349 ( 6.939 -10.584 0.069) 12.655 13.730 ( -1.040 -3.522 0.638) 3.727 13.885 ( 0.114 3.321 -5.838) 6.717 14.351 ( -4.294 4.435 5.737) 8.427 14.696 ( -12.263 6.905 1.088) 14.115 14.926 ( -0.911 5.360 -12.655) 13.773 15.036 ( -4.824 -4.935 -26.193) 27.087 15.365 ( 1.628 7.800 -4.573) 9.187 15.424 ( -0.507 7.088 -7.427) 10.279 16.687 ( 9.128 -7.765 3.373) 12.450 16.831 ( 8.080 -3.289 -3.385) 9.357 16.973 ( -1.597 4.430 2.106) 5.159 17.246 ( 0.840 8.511 -11.028) 13.955 19.364 ( -3.568 -6.606 3.989) 8.502 19.480 ( -5.760 -7.948 -2.030) 10.023 ======================= Grid point 430 (136/192) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( 26.054 -19.170 15.495) 35.866 5.135 ( -4.654 -22.643 -1.237) 23.149 5.906 ( 20.301 9.532 21.315) 30.940 6.176 ( -1.082 -2.625 9.695) 10.102 6.494 ( 0.528 15.073 12.179) 19.386 6.823 ( -16.329 13.470 2.622) 21.330 7.373 ( -5.470 -5.276 13.093) 15.139 7.457 ( -7.371 -4.656 15.183) 17.508 8.280 ( 8.082 24.947 14.627) 30.027 8.314 ( 7.725 24.347 8.190) 26.824 8.949 ( 0.529 9.931 35.022) 36.407 9.231 ( -23.064 11.444 29.674) 39.287 10.405 ( 4.127 -2.239 -14.807) 15.533 10.478 ( -3.160 -1.889 -18.416) 18.781 11.159 ( 8.237 -17.438 -5.845) 20.152 11.295 ( -4.020 -10.695 -3.011) 11.816 11.862 ( 6.304 15.404 -13.220) 21.255 11.988 ( -7.237 10.094 -19.444) 23.072 13.200 ( 0.927 8.117 1.072) 8.240 13.229 ( -1.906 8.718 -0.219) 8.926 13.457 ( 8.787 -15.518 3.183) 18.115 13.504 ( 4.995 -13.280 1.528) 14.271 13.728 ( 2.195 -8.475 -0.787) 8.790 13.837 ( -5.623 -6.612 -5.912) 10.502 14.322 ( 2.682 4.885 7.551) 9.384 14.461 ( -10.328 6.359 5.476) 13.308 14.920 ( 0.962 2.467 -18.734) 18.921 14.963 ( -3.004 0.010 -22.125) 22.328 15.390 ( 0.984 9.466 -4.981) 10.742 15.408 ( -0.900 9.292 -5.893) 11.040 16.835 ( 5.472 -3.511 2.092) 6.830 16.918 ( -2.828 2.654 0.962) 3.996 17.024 ( 9.663 -1.251 -3.691) 10.419 17.194 ( -6.114 2.100 -8.696) 10.836 19.330 ( 0.431 -5.180 1.237) 5.343 19.378 ( -4.096 -5.625 -1.152) 7.053 ======================= Grid point 434 (137/192) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( 0.000 29.798 24.964) 38.873 4.897 ( 0.000 34.346 26.569) 43.423 5.407 ( 0.000 26.533 -8.348) 27.815 6.014 ( 0.000 32.950 -18.666) 37.870 7.142 ( 0.000 7.186 25.924) 26.902 7.254 ( 0.000 10.889 39.435) 40.911 7.618 ( 0.000 -15.348 18.463) 24.009 7.642 ( 0.000 -14.693 5.213) 15.590 8.379 ( 0.000 -8.479 18.869) 20.686 8.768 ( 0.000 -1.429 5.739) 5.914 8.786 ( 0.000 -0.580 12.312) 12.325 9.041 ( 0.000 -13.273 -5.543) 14.384 10.188 ( 0.000 -4.619 -0.707) 4.672 10.562 ( 0.000 -4.242 -21.662) 22.074 11.248 ( 0.000 4.237 14.468) 15.075 11.684 ( 0.000 16.929 -2.955) 17.185 11.756 ( 0.000 16.889 0.410) 16.894 12.330 ( 0.000 3.410 -16.655) 17.000 12.613 ( 0.000 -6.310 6.505) 9.062 12.917 ( 0.000 -3.727 -8.271) 9.072 13.363 ( 0.000 5.306 7.447) 9.144 13.416 ( 0.000 -0.837 3.713) 3.806 13.844 ( 0.000 6.704 -1.978) 6.990 13.960 ( 0.000 2.045 -10.185) 10.388 14.627 ( 0.000 -2.296 0.006) 2.296 14.935 ( 0.000 -2.678 -7.761) 8.210 15.089 ( 0.000 -6.392 -19.922) 20.922 15.090 ( 0.000 -10.731 -17.847) 20.825 15.521 ( 0.000 21.171 0.210) 21.172 15.591 ( 0.000 16.405 -3.994) 16.884 16.367 ( 0.000 -1.286 0.434) 1.357 16.451 ( 0.000 -3.227 -3.115) 4.486 17.119 ( 0.000 5.288 4.664) 7.051 17.482 ( 0.000 15.364 -12.539) 19.831 19.243 ( 0.000 -15.356 3.357) 15.718 19.295 ( 0.000 -20.212 -0.137) 20.212 ======================= Grid point 435 (138/192) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( -10.413 24.847 26.589) 37.852 5.030 ( -3.853 12.930 -0.886) 13.521 5.447 ( 15.682 34.589 15.366) 40.969 6.167 ( 9.665 23.224 -13.094) 28.359 7.088 ( -7.836 2.759 20.676) 22.282 7.256 ( -8.652 3.351 21.815) 23.706 7.460 ( -5.540 -7.615 19.109) 21.304 7.627 ( 4.366 -4.800 17.122) 18.311 8.374 ( 1.291 3.511 26.810) 27.069 8.605 ( -7.063 9.468 14.687) 18.848 9.003 ( 11.284 -1.355 4.042) 12.062 9.306 ( 21.011 -16.043 -8.420) 27.744 10.208 ( 1.754 -4.417 -1.252) 4.915 10.556 ( -0.546 -3.281 -20.724) 20.990 11.076 ( -14.469 5.038 15.803) 22.010 11.583 ( -8.985 12.762 -1.231) 15.656 11.856 ( 7.739 13.325 -4.849) 16.154 12.311 ( -1.989 4.593 -17.170) 17.885 12.711 ( 8.829 -6.504 6.137) 12.566 12.965 ( 4.597 -4.819 -6.485) 9.296 13.362 ( -0.080 5.077 6.180) 7.999 13.426 ( 0.792 -0.487 4.132) 4.236 13.792 ( -4.801 6.075 -0.711) 7.775 13.944 ( -1.850 0.839 -8.742) 8.974 14.514 ( -8.815 -1.750 -1.975) 9.202 14.909 ( -9.492 -13.646 -21.235) 26.968 14.969 ( 0.175 -0.650 -8.100) 8.128 15.136 ( -0.931 3.652 -13.089) 13.621 15.552 ( 2.683 16.613 -0.972) 16.857 15.621 ( 2.516 15.210 -3.964) 15.919 16.404 ( 4.248 -3.034 1.714) 5.494 16.546 ( 8.487 -3.492 -4.773) 10.345 17.108 ( -1.283 4.927 4.711) 6.937 17.483 ( -0.550 13.310 -12.960) 18.586 19.206 ( -2.625 -15.291 3.677) 15.944 19.292 ( -0.799 -17.017 -1.006) 17.066 ======================= Grid point 436 (139/192) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( 3.380 6.646 22.141) 23.363 4.865 ( -8.271 -4.708 -7.654) 12.213 5.832 ( 13.951 15.892 20.324) 29.330 6.253 ( -1.749 4.237 -2.230) 5.098 6.794 ( -15.256 1.244 15.538) 21.811 7.095 ( 2.612 7.710 6.291) 10.288 7.502 ( 0.282 5.083 26.290) 26.779 7.668 ( -5.138 7.335 22.367) 24.094 8.515 ( 14.294 21.153 26.484) 36.785 8.574 ( 6.559 18.512 13.776) 23.989 9.172 ( 4.295 3.277 7.019) 8.857 9.671 ( 10.466 -1.830 -3.033) 11.049 10.250 ( 2.904 -3.621 -3.032) 5.544 10.524 ( -3.629 1.019 -16.078) 16.514 10.800 ( -8.788 -4.545 7.520) 12.427 11.354 ( -13.498 2.614 -2.229) 13.928 12.015 ( 7.635 10.356 -9.402) 15.935 12.266 ( -2.099 9.192 -16.094) 18.653 12.919 ( 11.097 -10.989 4.442) 16.237 13.082 ( 6.536 -7.822 -3.161) 10.672 13.358 ( -0.514 1.959 2.873) 3.515 13.431 ( -1.118 -0.570 3.362) 3.589 13.683 ( -4.912 5.786 2.151) 7.889 13.871 ( -5.736 -0.903 -6.450) 8.678 14.354 ( -5.279 -1.244 -1.488) 5.624 14.732 ( -9.318 -5.701 -12.244) 16.409 14.924 ( -2.168 0.673 -14.596) 14.771 15.097 ( -2.985 4.844 -13.516) 14.665 15.613 ( 3.021 14.596 -1.610) 14.992 15.665 ( 1.517 14.780 -3.688) 15.308 16.540 ( 8.997 -5.381 3.142) 10.944 16.754 ( 11.520 -3.317 -6.262) 13.526 17.060 ( -3.653 3.653 4.045) 6.562 17.428 ( -5.514 8.247 -12.636) 16.065 19.169 ( -0.705 -12.082 2.804) 12.423 19.262 ( -1.959 -12.597 -1.910) 12.891 ======================= Grid point 437 (140/192) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.443 ( 13.164 -13.232 12.436) 22.428 4.695 ( -10.307 -18.700 -0.095) 21.353 5.912 ( 1.333 -4.857 12.087) 13.094 6.069 ( -13.432 -4.942 4.621) 15.040 6.871 ( 19.127 19.607 20.271) 34.077 7.248 ( -0.055 23.054 4.377) 23.466 7.321 ( -7.244 2.061 27.085) 28.112 7.505 ( -9.527 7.003 21.486) 24.524 8.782 ( 13.568 22.969 12.590) 29.498 8.892 ( 11.679 28.480 0.974) 30.797 9.206 ( 5.921 13.334 29.457) 32.872 9.562 ( -19.004 19.252 23.487) 35.825 10.358 ( 6.228 -1.920 -14.730) 16.107 10.443 ( -3.187 -0.804 -16.492) 16.817 10.811 ( 8.385 -14.357 -4.613) 17.255 11.063 ( -14.904 -8.722 -4.931) 17.959 12.148 ( 5.415 10.742 -10.989) 16.293 12.225 ( -2.433 12.020 -13.095) 17.941 13.138 ( 10.419 -16.329 1.185) 19.406 13.206 ( 5.297 -10.727 -2.350) 12.192 13.321 ( -3.572 -6.243 2.873) 7.745 13.350 ( -6.720 -6.455 0.418) 9.327 13.645 ( 1.661 9.122 2.041) 9.494 13.735 ( -6.616 4.973 -2.205) 8.565 14.353 ( 5.102 -0.129 0.042) 5.104 14.522 ( -10.643 -0.247 -1.613) 10.768 14.937 ( 3.033 0.957 -19.389) 19.648 15.018 ( -4.509 3.077 -16.995) 17.851 15.661 ( 1.662 14.956 -2.422) 15.241 15.679 ( -0.117 15.151 -3.127) 15.471 16.739 ( 10.099 -5.014 3.776) 11.891 16.905 ( -3.968 -3.832 2.993) 6.276 17.040 ( 8.841 2.889 -7.404) 11.888 17.261 ( -10.662 3.633 -10.749) 15.570 19.180 ( 1.566 -9.144 0.465) 9.289 19.220 ( -2.186 -9.384 -1.451) 9.744 ======================= Grid point 441 (141/192) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.158 ( 0.000 26.658 15.404) 30.788 5.371 ( 0.000 10.476 11.027) 15.210 6.077 ( 0.000 34.830 12.002) 36.840 6.577 ( 0.000 16.184 -6.456) 17.424 7.028 ( 0.000 -27.524 14.224) 30.982 7.192 ( 0.000 -20.663 6.502) 21.662 7.284 ( 0.000 5.812 22.184) 22.933 7.576 ( 0.000 2.645 6.790) 7.287 8.478 ( 0.000 22.238 24.353) 32.979 8.806 ( 0.000 11.917 3.320) 12.371 8.879 ( 0.000 9.809 22.778) 24.800 8.977 ( 0.000 2.459 13.481) 13.703 10.105 ( 0.000 -3.172 -0.774) 3.265 10.476 ( 0.000 -3.511 -18.950) 19.273 11.395 ( 0.000 7.801 5.872) 9.764 11.824 ( 0.000 -1.862 -6.606) 6.863 12.055 ( 0.000 12.739 2.550) 12.991 12.561 ( 0.000 17.313 -17.702) 24.761 12.673 ( 0.000 10.811 6.416) 12.571 12.913 ( 0.000 1.840 -3.026) 3.542 13.296 ( 0.000 -10.238 6.436) 12.093 13.377 ( 0.000 -3.800 4.430) 5.836 13.975 ( 0.000 0.101 -12.092) 12.092 14.042 ( 0.000 10.966 -1.908) 11.131 14.507 ( 0.000 -8.357 -9.301) 12.504 14.727 ( 0.000 -12.769 -8.492) 15.335 14.908 ( 0.000 -9.038 -13.445) 16.201 15.039 ( 0.000 2.816 -15.230) 15.488 15.844 ( 0.000 7.517 3.203) 8.171 15.903 ( 0.000 11.848 -1.282) 11.917 16.449 ( 0.000 3.521 -1.941) 4.021 16.502 ( 0.000 14.783 -4.273) 15.388 17.211 ( 0.000 3.387 8.131) 8.808 17.762 ( 0.000 11.358 -16.652) 20.157 18.837 ( 0.000 -23.613 0.769) 23.625 18.881 ( 0.000 -19.272 0.194) 19.273 ======================= Grid point 442 (142/192) ======================= q-point: ( 0.14 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( -21.939 23.005 17.133) 36.112 5.221 ( -16.515 3.805 0.211) 16.949 6.089 ( -3.973 22.229 15.111) 27.171 6.376 ( -4.896 2.522 2.959) 6.252 7.139 ( -13.761 -4.017 6.485) 15.734 7.224 ( 2.331 8.607 16.486) 18.743 7.381 ( 16.818 -5.436 20.178) 26.824 7.629 ( 14.282 -1.366 6.289) 15.665 8.638 ( 14.528 23.218 28.230) 39.333 8.825 ( -2.204 9.589 23.884) 25.832 9.024 ( 4.460 -0.661 7.042) 8.362 9.134 ( 25.534 11.036 0.341) 27.819 10.132 ( 2.618 -2.500 -2.381) 4.333 10.482 ( 0.678 -3.219 -17.547) 17.852 11.273 ( -11.767 11.604 8.611) 18.635 11.763 ( -7.871 3.608 -6.696) 10.946 12.022 ( -0.604 6.208 0.317) 6.245 12.538 ( -1.753 15.191 -18.951) 24.352 12.689 ( 0.612 1.895 6.870) 7.152 12.959 ( 3.699 3.338 -1.382) 5.170 13.266 ( -2.540 -11.086 5.957) 12.839 13.379 ( -0.530 -4.984 1.157) 5.144 13.924 ( -3.952 1.798 -10.891) 11.724 14.031 ( -1.107 11.299 2.250) 11.574 14.449 ( -4.331 -5.020 -11.612) 13.371 14.681 ( -5.333 -6.607 -15.631) 17.788 14.897 ( 3.523 -5.677 -6.892) 9.599 15.152 ( 4.642 0.372 -13.628) 14.401 15.819 ( -1.232 6.512 3.463) 7.478 15.908 ( 0.576 10.487 -1.663) 10.634 16.450 ( 1.319 5.926 -0.298) 6.079 16.582 ( 6.760 9.581 -5.942) 13.145 17.187 ( -2.491 2.530 7.319) 8.135 17.713 ( -5.162 8.416 -16.112) 18.896 18.832 ( 0.981 -20.180 2.261) 20.330 18.929 ( 3.228 -17.901 -2.012) 18.301 ======================= Grid point 443 (143/192) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( -17.084 9.031 14.138) 23.944 4.802 ( -22.566 -2.644 -3.482) 22.986 5.916 ( -7.482 0.200 13.763) 15.667 6.333 ( -9.828 6.434 -5.076) 12.797 6.964 ( 4.671 14.237 27.845) 31.620 7.281 ( 4.865 7.688 20.486) 22.416 7.652 ( 7.425 2.971 20.467) 21.974 7.870 ( 2.536 12.527 10.146) 16.318 8.802 ( 8.668 0.813 17.240) 19.314 9.087 ( 21.284 29.829 21.155) 42.312 9.155 ( 9.648 -2.840 6.949) 12.225 9.645 ( 22.197 6.647 -1.126) 23.198 10.212 ( 5.783 0.845 -7.549) 9.547 10.511 ( 2.721 -1.879 -13.510) 13.909 10.953 ( -19.260 16.935 11.731) 28.202 11.499 ( -17.477 11.563 -5.515) 21.669 12.071 ( 4.966 -3.818 -2.715) 6.828 12.511 ( -1.548 12.946 -16.763) 21.237 12.665 ( -2.154 -16.742 2.948) 17.136 13.013 ( 0.164 -1.009 -2.408) 2.616 13.216 ( -1.918 -9.087 8.199) 12.389 13.325 ( -4.537 -6.083 -8.248) 11.208 13.873 ( -0.046 8.128 -3.068) 8.688 14.018 ( -0.015 13.736 3.180) 14.099 14.357 ( -3.561 0.907 -7.451) 8.308 14.615 ( -2.409 -2.592 -16.625) 16.997 14.937 ( 0.158 -0.277 -7.411) 7.418 15.165 ( -2.845 2.309 -12.706) 13.223 15.837 ( 3.054 5.033 2.375) 6.348 15.929 ( 1.242 9.150 -1.968) 9.442 16.519 ( 5.779 3.575 2.039) 7.095 16.751 ( 9.426 4.699 -6.904) 12.593 17.109 ( -4.950 0.980 4.280) 6.617 17.552 ( -10.601 3.231 -14.099) 17.933 18.886 ( 4.019 -14.752 1.345) 15.348 18.986 ( 2.157 -13.956 -3.146) 14.468 ======================= Grid point 444 (144/192) ======================= q-point: ( 0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( -1.110 -3.947 8.165) 9.136 4.410 ( -14.837 -8.249 0.970) 17.004 5.871 ( 3.441 3.177 8.441) 9.653 6.050 ( -13.670 4.235 0.406) 14.317 7.224 ( 15.601 13.378 30.114) 36.458 7.382 ( 2.373 4.184 26.165) 26.603 7.685 ( -1.886 11.187 19.722) 22.752 7.743 ( -9.801 21.670 15.626) 28.458 9.063 ( 13.242 0.089 6.108) 14.583 9.216 ( -1.161 -1.417 -1.657) 2.470 9.597 ( 22.894 25.654 23.854) 41.848 9.875 ( -1.528 7.471 8.021) 11.068 10.352 ( 6.644 2.651 -11.358) 13.423 10.555 ( -14.844 15.397 1.464) 21.437 10.690 ( 14.772 6.133 -4.070) 16.505 11.098 ( -21.805 13.097 -6.054) 26.147 12.210 ( 8.715 -7.333 -1.717) 11.518 12.399 ( -9.192 -1.858 -2.276) 9.650 12.714 ( 7.452 -17.385 -13.804) 23.416 12.906 ( -9.893 -14.311 -11.917) 21.088 13.213 ( 1.506 -1.102 6.613) 6.872 13.253 ( -2.422 -0.745 -0.849) 2.673 13.919 ( 3.931 13.020 0.071) 13.601 13.997 ( -2.899 15.153 0.575) 15.439 14.366 ( 4.959 2.071 -3.464) 6.393 14.512 ( -7.789 1.047 -6.041) 9.913 14.968 ( 3.896 2.004 -13.973) 14.644 15.072 ( -5.664 2.444 -14.361) 15.630 15.907 ( 3.024 7.089 0.176) 7.709 15.941 ( -0.348 8.817 -1.324) 8.922 16.677 ( 9.510 -0.031 3.932) 10.291 16.847 ( -4.452 -0.465 2.752) 5.255 17.088 ( 7.419 1.614 -8.437) 11.350 17.313 ( -12.606 1.083 -12.051) 17.473 18.966 ( 3.340 -11.421 -0.840) 11.929 19.005 ( -0.433 -11.301 -2.567) 11.597 ======================= Grid point 448 (145/192) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.305 ( 0.000 -15.714 8.667) 17.945 5.448 ( 0.000 -1.728 3.083) 3.534 6.388 ( 0.000 -28.036 6.554) 28.791 6.441 ( 0.000 -23.945 6.866) 24.910 6.753 ( 0.000 24.285 23.914) 34.083 7.157 ( 0.000 19.014 1.485) 19.072 7.472 ( 0.000 10.571 17.504) 20.449 7.630 ( 0.000 8.896 -0.856) 8.937 9.015 ( 0.000 17.855 22.445) 28.681 9.040 ( 0.000 6.753 17.982) 19.208 9.303 ( 0.000 28.767 9.884) 30.418 9.346 ( 0.000 40.088 26.775) 48.208 10.089 ( 0.000 3.382 -3.878) 5.146 10.453 ( 0.000 2.450 -13.275) 13.499 11.441 ( 0.000 -5.188 0.827) 5.254 11.697 ( 0.000 -9.236 -6.492) 11.289 12.327 ( 0.000 14.088 2.444) 14.298 12.841 ( 0.000 -12.499 10.997) 16.647 12.884 ( 0.000 7.205 -13.595) 15.386 12.976 ( 0.000 9.353 4.976) 10.594 13.053 ( 0.000 -1.403 1.257) 1.884 13.324 ( 0.000 1.791 -7.492) 7.703 13.983 ( 0.000 0.881 -13.811) 13.839 14.200 ( 0.000 -0.586 -27.021) 27.027 14.374 ( 0.000 0.927 5.796) 5.870 14.523 ( 0.000 -5.886 -4.953) 7.692 14.781 ( 0.000 -1.934 -5.502) 5.832 15.136 ( 0.000 6.030 -15.326) 16.470 15.902 ( 0.000 0.206 4.056) 4.061 16.031 ( 0.000 1.052 -2.408) 2.628 16.604 ( 0.000 10.582 3.721) 11.217 16.858 ( 0.000 17.249 -5.968) 18.253 17.247 ( 0.000 -0.163 9.391) 9.392 17.916 ( 0.000 1.903 -19.857) 19.948 18.366 ( 0.000 -20.385 0.643) 20.395 18.477 ( 0.000 -19.363 -3.012) 19.596 ======================= Grid point 449 (146/192) ======================= q-point: ( 0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.992 ( -24.194 -12.141 8.403) 28.344 5.208 ( -21.272 -4.716 -1.224) 21.823 6.224 ( -7.112 1.388 15.802) 17.384 6.621 ( 6.536 0.617 4.658) 8.050 7.084 ( 26.389 3.453 18.015) 32.138 7.265 ( 4.006 -0.368 13.464) 14.052 7.396 ( -14.262 9.696 10.531) 20.207 7.617 ( 15.397 5.527 0.298) 16.362 8.925 ( -7.984 11.501 26.824) 30.259 9.043 ( 0.143 4.936 15.871) 16.622 9.407 ( 13.058 35.236 20.231) 42.678 9.610 ( 17.731 27.059 9.200) 33.633 10.151 ( 6.378 6.806 -5.642) 10.901 10.472 ( 2.181 3.814 -10.257) 11.158 11.404 ( -3.965 -1.593 2.304) 4.855 11.694 ( -0.142 -8.433 -7.581) 11.340 12.230 ( -9.139 12.425 3.750) 15.873 12.631 ( -15.886 -8.733 6.740) 19.341 12.849 ( -3.494 7.443 -15.064) 17.162 12.990 ( -5.287 -6.818 3.196) 9.201 13.070 ( 4.811 4.495 8.596) 10.828 13.327 ( -0.159 2.226 -14.568) 14.738 13.955 ( -0.835 1.235 -13.536) 13.618 14.246 ( 2.690 4.634 -14.755) 15.698 14.340 ( -0.384 -0.788 -3.873) 3.971 14.628 ( 5.655 -0.009 -5.257) 7.721 14.808 ( 4.074 -0.580 -2.475) 4.801 15.187 ( 3.484 3.161 -14.009) 14.778 15.872 ( -2.171 0.690 4.380) 4.937 16.020 ( -0.677 1.016 -2.827) 3.079 16.606 ( 0.398 9.270 4.363) 10.253 16.882 ( 2.359 15.956 -6.006) 17.211 17.205 ( -4.002 -0.855 7.021) 8.126 17.790 ( -10.811 -2.169 -17.035) 20.293 18.433 ( 6.387 -17.246 0.567) 18.399 18.568 ( 7.055 -16.649 -5.080) 18.782 ======================= Grid point 450 (147/192) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -19.299 -1.042 7.628) 20.778 4.745 ( -22.531 -2.020 -2.501) 22.760 6.097 ( -4.758 17.165 15.416) 23.557 6.574 ( -13.277 16.108 -6.580) 21.887 7.226 ( 3.118 4.715 24.818) 25.454 7.329 ( 3.755 -6.000 19.850) 21.074 7.597 ( 21.263 0.032 21.222) 30.042 8.051 ( 20.362 2.056 -0.234) 20.467 8.754 ( -6.222 3.023 26.801) 27.679 9.056 ( 1.228 -1.360 9.086) 9.269 9.728 ( 16.111 24.387 14.886) 32.800 9.881 ( 7.781 10.685 2.145) 13.391 10.313 ( 7.481 7.690 -4.938) 11.811 10.615 ( 15.297 15.575 -4.100) 22.212 11.271 ( -9.914 9.482 6.122) 15.022 11.674 ( -3.688 -1.637 -8.817) 9.697 12.002 ( -11.366 1.382 6.010) 12.931 12.282 ( -17.361 -13.646 3.385) 22.340 12.763 ( -4.206 7.792 -16.282) 18.534 12.868 ( -6.319 -5.561 -3.673) 9.185 13.152 ( 3.584 0.381 8.502) 9.235 13.313 ( -1.131 3.049 -14.510) 14.870 13.986 ( 3.837 2.145 -10.739) 11.604 14.278 ( -0.379 5.514 -13.358) 14.456 14.367 ( 3.304 5.184 0.531) 6.170 14.685 ( 0.422 8.097 -6.429) 10.348 14.924 ( 5.575 0.276 -2.134) 5.976 15.209 ( -1.901 2.216 -10.980) 11.361 15.866 ( 2.482 0.276 3.790) 4.539 16.021 ( 0.786 0.621 -3.033) 3.195 16.631 ( 2.398 5.893 5.513) 8.419 16.943 ( 2.654 11.230 -2.347) 11.776 17.106 ( -4.649 -0.311 -1.326) 4.844 17.546 ( -12.573 -3.790 -14.044) 19.227 18.585 ( 7.858 -14.330 -0.699) 16.358 18.699 ( 5.250 -13.732 -5.704) 15.769 ======================= Grid point 451 (148/192) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -3.921 6.583 4.989) 9.143 4.380 ( -12.489 5.550 0.726) 13.686 6.079 ( 3.834 16.696 8.119) 18.957 6.262 ( -14.058 16.201 -0.494) 21.456 7.357 ( 6.287 -1.720 24.465) 25.319 7.405 ( 1.911 -4.915 21.521) 22.158 7.926 ( 13.202 12.955 25.587) 31.572 8.161 ( -8.424 17.729 18.875) 27.231 8.854 ( 13.832 -14.309 9.384) 22.003 9.053 ( -3.819 -9.796 3.821) 11.187 9.920 ( 3.207 3.580 -0.420) 4.825 9.953 ( -0.057 2.931 -1.990) 3.543 10.550 ( 19.005 15.193 10.494) 26.498 10.970 ( -17.461 17.680 11.333) 27.311 11.032 ( 20.318 21.114 -4.989) 29.724 11.449 ( -18.005 13.416 -5.497) 23.117 11.900 ( 0.924 -14.972 2.569) 15.219 12.001 ( -9.576 -17.880 1.704) 20.355 12.714 ( -0.239 5.499 -17.514) 18.359 12.757 ( -4.284 0.401 -13.580) 14.246 13.221 ( 3.356 0.398 5.053) 6.079 13.280 ( -2.307 1.988 -2.280) 3.804 14.092 ( 6.262 2.987 -12.384) 14.194 14.214 ( -5.314 3.477 -15.106) 16.387 14.481 ( 7.403 10.475 4.764) 13.683 14.628 ( -6.124 10.044 0.261) 11.766 15.023 ( 5.071 3.624 -7.754) 9.949 15.130 ( -5.223 3.408 -9.730) 11.557 15.957 ( 5.235 -0.260 1.772) 5.533 16.026 ( -1.217 0.461 -1.112) 1.712 16.717 ( 6.432 1.971 6.007) 9.019 16.874 ( -8.184 0.881 6.474) 10.472 17.138 ( 6.914 4.773 -13.011) 15.488 17.313 ( -10.341 -0.267 -13.020) 16.629 18.716 ( 4.677 -12.946 -2.612) 14.011 18.759 ( 0.490 -12.653 -4.524) 13.446 ======================= Grid point 455 (149/192) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( 0.000 -21.472 10.355) 23.838 5.184 ( 0.000 -19.157 -0.843) 19.176 5.772 ( 0.000 -29.016 1.463) 29.053 5.900 ( 0.000 -26.372 -1.902) 26.441 7.178 ( 0.000 16.358 31.542) 35.532 7.628 ( 0.000 8.709 20.703) 22.460 7.764 ( 0.000 31.033 1.344) 31.062 8.012 ( 0.000 25.184 -4.338) 25.555 9.198 ( 0.000 8.373 31.103) 32.211 9.288 ( 0.000 9.751 31.344) 32.826 9.846 ( 0.000 21.435 -3.212) 21.674 10.046 ( 0.000 19.850 -4.394) 20.330 10.461 ( 0.000 36.257 11.129) 37.926 10.601 ( 0.000 9.908 0.761) 9.937 11.188 ( 0.000 -18.155 2.679) 18.352 11.500 ( 0.000 -7.449 -5.808) 9.446 12.463 ( 0.000 -20.291 7.854) 21.758 12.570 ( 0.000 -21.536 6.138) 22.394 12.595 ( 0.000 9.991 2.966) 10.422 13.130 ( 0.000 3.607 3.873) 5.293 13.311 ( 0.000 10.561 -24.408) 26.595 13.384 ( 0.000 1.869 -8.256) 8.465 14.008 ( 0.000 1.428 -16.973) 17.033 14.094 ( 0.000 -4.843 -28.010) 28.426 14.514 ( 0.000 4.552 1.897) 4.931 14.518 ( 0.000 9.413 10.069) 13.783 14.857 ( 0.000 8.894 -4.212) 9.841 15.273 ( 0.000 7.044 -15.583) 17.101 15.888 ( 0.000 -1.244 3.012) 3.259 15.992 ( 0.000 -3.902 -2.225) 4.492 16.824 ( 0.000 9.674 8.503) 12.880 17.125 ( 0.000 2.041 7.960) 8.217 17.231 ( 0.000 4.928 -6.424) 8.097 17.730 ( 0.000 -17.264 -14.976) 22.855 18.119 ( 0.000 -14.617 -4.969) 15.439 18.129 ( 0.000 -4.336 -7.909) 9.020 ======================= Grid point 456 (150/192) ======================= q-point: ( 0.14 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -11.897 -13.449 9.403) 20.269 5.032 ( -14.322 -8.836 -6.562) 18.062 5.959 ( 21.744 -27.254 11.785) 36.803 6.254 ( 21.979 -25.781 -1.192) 33.899 7.237 ( 2.705 10.840 24.993) 27.376 7.607 ( -0.498 20.717 18.992) 28.109 7.764 ( -15.257 21.242 -5.344) 26.694 7.840 ( 3.001 21.329 7.060) 22.667 9.160 ( -6.891 10.008 31.277) 33.554 9.191 ( -5.295 8.325 29.129) 30.754 9.920 ( 5.747 15.760 -2.106) 16.907 10.064 ( 1.777 16.302 -4.138) 16.913 10.453 ( -3.107 11.821 8.772) 15.045 10.703 ( 9.614 18.089 0.637) 20.495 11.222 ( 4.249 -12.124 4.324) 13.555 11.538 ( 2.909 -2.156 -5.636) 6.699 12.296 ( -16.908 -10.217 8.410) 21.471 12.422 ( -3.936 -12.851 3.544) 13.899 12.703 ( 2.057 1.758 3.838) 4.695 13.116 ( -0.768 3.168 0.866) 3.373 13.267 ( -4.507 12.542 -18.035) 22.425 13.385 ( -0.272 1.905 -12.820) 12.964 13.942 ( -3.274 -2.568 -19.010) 19.460 14.159 ( 4.146 -6.557 -26.677) 27.782 14.488 ( 2.938 9.950 10.257) 14.589 14.702 ( 10.620 6.547 3.061) 12.846 14.896 ( 3.815 8.150 -3.116) 9.523 15.273 ( -0.321 4.591 -13.646) 14.401 15.888 ( 0.189 1.273 2.741) 3.028 15.997 ( 0.471 -2.232 -2.444) 3.343 16.782 ( -3.816 6.300 9.766) 12.232 17.103 ( -2.579 -0.926 8.943) 9.353 17.225 ( 0.117 9.358 -10.715) 14.227 17.612 ( -9.479 -12.966 -14.697) 21.771 18.145 ( 5.913 -11.816 -2.602) 13.467 18.280 ( 8.733 -10.803 -9.332) 16.735 ======================= Grid point 457 (151/192) ======================= q-point: ( 0.29 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( -3.039 3.574 6.899) 8.343 4.775 ( -9.863 6.191 -4.340) 12.427 6.366 ( 13.488 -3.755 14.433) 20.108 6.644 ( 15.517 -18.207 3.394) 24.162 7.168 ( -5.795 -0.078 11.263) 12.667 7.297 ( -21.227 19.764 0.603) 29.010 7.821 ( 17.962 13.896 22.483) 31.956 8.082 ( 16.244 5.152 8.868) 19.211 8.937 ( -13.035 11.217 31.182) 35.610 9.094 ( -6.292 3.541 22.273) 23.414 9.991 ( -1.155 4.276 -3.145) 5.432 10.076 ( -2.517 7.824 -6.446) 10.445 10.420 ( 4.703 -0.308 15.283) 15.993 10.886 ( 7.741 -4.459 -2.260) 9.215 11.344 ( 3.957 3.301 5.365) 7.439 11.567 ( -0.242 3.465 -4.321) 5.544 11.973 ( -12.086 -0.167 8.307) 14.666 12.328 ( -5.876 7.052 -2.328) 9.470 12.710 ( 0.607 3.137 4.434) 5.465 13.115 ( -4.065 14.205 -22.975) 27.316 13.145 ( -2.248 0.909 8.202) 8.553 13.361 ( -2.148 0.924 -15.181) 15.360 13.943 ( 3.443 -5.848 -18.556) 19.758 14.213 ( 0.573 -7.538 -26.706) 27.756 14.590 ( 6.546 11.900 10.413) 17.114 14.873 ( 4.762 9.014 1.955) 10.380 15.000 ( 6.192 6.753 -0.755) 9.193 15.251 ( -1.828 1.348 -8.238) 8.545 15.908 ( 2.199 4.402 1.701) 5.206 16.013 ( 1.185 0.058 -2.631) 2.886 16.702 ( -3.290 -0.229 10.334) 10.848 17.003 ( -7.639 -3.959 5.777) 10.364 17.251 ( 2.283 12.056 -12.186) 17.293 17.438 ( -6.628 -4.496 -13.175) 15.418 18.296 ( 7.971 -13.866 -2.536) 16.194 18.427 ( 5.411 -12.774 -8.807) 16.432 ======================= Grid point 458 (152/192) ======================= q-point: ( 0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( 3.497 18.185 3.817) 18.908 4.633 ( -5.229 18.713 -0.207) 19.431 6.492 ( 4.026 19.109 9.103) 21.546 6.660 ( -11.742 17.296 1.197) 20.939 7.128 ( 4.630 -15.699 11.659) 20.095 7.165 ( 0.900 -14.275 10.907) 17.988 8.193 ( 17.283 10.954 23.940) 31.493 8.385 ( 6.551 1.639 13.688) 15.263 8.716 ( -2.688 4.700 25.960) 26.518 8.913 ( -12.378 -3.737 16.219) 20.742 9.916 ( -1.666 -6.374 -3.442) 7.433 9.979 ( -6.003 0.421 -6.085) 8.558 10.655 ( 15.896 -4.697 14.031) 21.717 10.937 ( -7.500 -18.212 7.412) 21.044 11.328 ( 2.864 6.235 -0.152) 6.863 11.492 ( -8.856 1.728 -2.902) 9.478 11.957 ( 8.919 19.528 2.668) 21.634 12.167 ( -10.094 21.727 -2.587) 24.096 12.781 ( 6.461 6.035 -2.376) 9.155 12.942 ( -9.066 12.429 -10.121) 18.415 13.208 ( 4.585 -1.214 -3.373) 5.820 13.299 ( -4.047 -0.174 -8.971) 9.843 14.052 ( 6.577 -6.176 -21.140) 22.984 14.171 ( -4.550 -6.641 -24.248) 25.549 14.732 ( 7.368 12.282 7.559) 16.195 14.864 ( -4.809 11.591 3.439) 13.012 15.122 ( 5.420 5.506 -1.208) 7.820 15.205 ( -2.924 3.242 -3.732) 5.744 15.975 ( 3.891 3.185 0.791) 5.090 16.027 ( -0.648 1.216 -1.155) 1.798 16.689 ( 2.907 -5.032 7.492) 9.482 16.821 ( -9.268 -6.125 4.429) 11.960 17.302 ( 2.547 10.343 -11.779) 15.881 17.352 ( -2.723 4.912 -11.853) 13.116 18.432 ( 5.037 -14.729 -4.409) 16.179 18.483 ( 0.067 -14.222 -6.860) 15.790 ======================= Grid point 462 (153/192) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( 0.000 -9.818 11.377) 15.028 4.786 ( 0.000 -17.958 4.887) 18.611 5.295 ( 0.000 -15.303 -6.124) 16.483 5.421 ( 0.000 -18.791 -7.205) 20.125 7.459 ( 0.000 11.292 27.724) 29.936 7.701 ( 0.000 0.052 19.984) 19.984 8.397 ( 0.000 25.347 4.097) 25.676 8.503 ( 0.000 19.004 1.250) 19.045 9.386 ( 0.000 10.642 30.070) 31.897 9.455 ( 0.000 7.989 27.207) 28.356 10.185 ( 0.000 11.260 -2.045) 11.444 10.413 ( 0.000 16.300 -7.034) 17.753 10.667 ( 0.000 -3.245 0.976) 3.389 10.717 ( 0.000 -21.466 -1.276) 21.504 11.161 ( 0.000 19.823 17.269) 26.290 11.477 ( 0.000 1.132 2.778) 3.000 12.137 ( 0.000 -6.558 3.107) 7.257 12.185 ( 0.000 -11.415 3.547) 11.954 12.717 ( 0.000 1.947 6.365) 6.656 13.046 ( 0.000 -10.523 5.814) 12.022 13.406 ( 0.000 1.404 -16.515) 16.574 13.451 ( 0.000 2.986 -31.542) 31.683 14.041 ( 0.000 1.627 -15.997) 16.079 14.046 ( 0.000 -0.010 -16.752) 16.752 14.642 ( 0.000 6.096 9.141) 10.987 14.686 ( 0.000 5.404 13.412) 14.460 15.108 ( 0.000 14.076 -10.255) 17.416 15.395 ( 0.000 3.409 -16.070) 16.427 15.864 ( 0.000 -0.792 1.681) 1.859 15.905 ( 0.000 -3.640 -0.534) 3.679 16.946 ( 0.000 0.713 8.907) 8.935 17.002 ( 0.000 -7.552 4.877) 8.990 17.407 ( 0.000 6.401 -6.971) 9.464 17.442 ( 0.000 -7.063 -11.912) 13.848 17.902 ( 0.000 -5.798 -6.659) 8.829 18.034 ( 0.000 -5.862 -11.448) 12.862 ======================= Grid point 463 (154/192) ======================= q-point: ( 0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 4.053 0.681 10.638) 11.404 4.920 ( 5.843 -3.029 -5.219) 8.400 5.374 ( 16.926 -23.815 6.544) 29.941 5.701 ( 20.158 -25.720 -7.013) 33.422 7.488 ( 1.517 11.673 26.097) 28.629 7.750 ( 4.949 0.124 19.763) 20.374 8.318 ( -15.014 24.647 -0.643) 28.867 8.358 ( -5.804 22.562 4.237) 23.679 9.346 ( -7.239 8.470 30.169) 32.161 9.376 ( -5.061 12.000 27.468) 30.399 10.105 ( -9.809 -2.498 3.696) 10.776 10.392 ( -3.165 15.936 -7.664) 17.964 10.422 ( -10.611 -9.770 5.491) 15.434 10.642 ( -8.041 -14.071 -4.464) 16.810 11.297 ( 9.651 8.725 12.749) 18.215 11.611 ( 5.570 -1.351 0.282) 5.738 12.115 ( -2.460 1.335 6.144) 6.751 12.225 ( 9.136 -0.158 3.105) 9.651 12.796 ( 5.638 2.538 3.597) 7.153 13.064 ( 0.930 -8.201 7.354) 11.055 13.385 ( -1.419 2.036 -24.634) 24.758 13.483 ( 2.230 3.730 -20.851) 21.299 13.901 ( -9.349 0.841 -17.677) 20.014 14.058 ( -1.051 -3.303 -19.316) 19.624 14.688 ( 4.951 8.215 12.532) 15.781 14.813 ( 10.045 2.848 6.860) 12.494 15.099 ( 0.091 10.510 -6.856) 12.549 15.339 ( -4.612 0.762 -12.468) 13.316 15.935 ( 5.786 3.167 0.633) 6.627 15.968 ( 5.128 0.101 -0.655) 5.171 16.817 ( -9.312 -1.932 8.358) 12.661 16.992 ( -4.063 -8.665 3.566) 10.212 17.409 ( 0.212 1.529 -7.143) 7.308 17.443 ( 1.373 3.919 -12.418) 13.094 17.939 ( 3.574 -6.917 -4.921) 9.211 18.091 ( 4.490 -8.659 -11.475) 15.061 ======================= Grid point 464 (155/192) ======================= q-point: ( 0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.734 ( 14.184 16.725 7.751) 23.259 5.022 ( 5.936 17.629 -5.543) 19.410 5.873 ( 27.885 -32.292 9.526) 43.716 6.123 ( 20.196 -29.758 -1.877) 36.013 7.434 ( -7.630 18.444 18.468) 27.193 7.829 ( -16.809 20.207 -0.280) 26.286 7.952 ( 2.093 5.999 20.110) 21.090 8.324 ( 1.841 12.635 5.831) 14.037 9.139 ( -11.190 6.340 29.063) 31.782 9.211 ( -13.158 12.506 23.435) 29.644 9.774 ( -16.886 -21.706 11.560) 29.831 10.149 ( -17.404 -14.459 -1.970) 22.712 10.483 ( 8.965 10.137 1.456) 13.611 10.619 ( 6.901 -1.768 -1.370) 7.254 11.377 ( -2.139 -2.855 6.698) 7.589 11.587 ( -6.496 -9.428 -1.371) 11.531 12.191 ( 9.699 20.347 6.091) 23.349 12.477 ( 12.926 9.017 0.791) 15.780 12.878 ( 1.772 7.918 6.207) 10.216 13.062 ( -0.339 -5.717 6.473) 8.643 13.359 ( -1.398 2.346 -24.919) 25.068 13.474 ( -5.352 13.614 -16.815) 22.287 13.773 ( -0.401 -9.174 -21.169) 23.075 14.029 ( -1.905 -9.406 -24.694) 26.494 14.817 ( 7.314 9.634 10.258) 15.859 15.013 ( 8.353 3.278 4.794) 10.173 15.137 ( 3.516 5.510 -1.547) 6.716 15.249 ( -3.658 -1.294 -5.966) 7.117 16.036 ( 3.787 6.781 0.580) 7.789 16.073 ( 4.544 6.140 -0.911) 7.693 16.630 ( -8.277 -4.860 7.979) 12.482 16.840 ( -10.039 -11.385 1.146) 15.222 17.443 ( 3.227 5.668 -7.726) 10.111 17.495 ( 3.268 10.193 -12.069) 16.132 18.027 ( 4.728 -11.381 -4.029) 12.965 18.167 ( 2.447 -12.520 -10.667) 16.629 ======================= Grid point 465 (156/192) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.022 ( 11.879 27.866 3.939) 30.547 5.123 ( 1.889 28.263 -0.648) 28.333 6.339 ( 15.677 -30.284 7.327) 34.880 6.423 ( 7.324 -29.418 3.601) 30.529 7.278 ( -4.030 25.108 9.123) 27.016 7.396 ( -16.433 28.987 2.683) 33.429 8.181 ( 13.130 -11.892 17.619) 24.985 8.365 ( -1.833 -6.769 10.822) 12.895 8.921 ( -9.401 8.021 23.916) 26.920 8.940 ( -8.623 13.426 24.784) 29.477 9.602 ( 1.001 -21.255 10.494) 23.725 9.790 ( -15.961 -20.440 2.941) 26.100 10.689 ( 9.720 10.127 3.216) 14.401 10.770 ( 3.717 6.104 1.338) 7.270 11.313 ( -0.647 -7.269 2.233) 7.632 11.417 ( -9.042 -9.869 -0.956) 13.419 12.420 ( 11.508 21.680 3.197) 24.753 12.595 ( -3.659 18.012 -0.048) 18.380 12.933 ( 6.673 4.561 10.252) 13.055 13.057 ( -2.504 -4.149 8.988) 10.211 13.319 ( -2.266 5.253 -22.631) 23.343 13.336 ( -4.644 15.342 -25.455) 30.082 13.855 ( 6.198 -12.740 -22.859) 26.893 13.968 ( -4.473 -12.448 -25.186) 28.448 14.962 ( 6.818 9.868 6.500) 13.642 15.070 ( -3.092 8.033 2.896) 9.082 15.207 ( 3.062 1.685 1.937) 3.996 15.230 ( 0.838 -1.151 1.278) 1.913 16.097 ( 2.543 8.070 0.609) 8.483 16.126 ( 0.392 8.758 -0.602) 8.787 16.536 ( 0.064 -9.067 5.663) 10.690 16.638 ( -8.964 -11.006 1.979) 14.332 17.515 ( 3.184 10.696 -8.700) 14.150 17.543 ( 0.726 12.747 -10.692) 16.653 18.117 ( 4.037 -15.566 -5.930) 17.140 18.176 ( -1.538 -15.463 -8.775) 17.846 ======================= Grid point 469 (157/192) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.513 ( 0.000 -6.967 10.183) 12.339 4.513 ( 0.000 6.967 10.183) 12.339 5.179 ( 0.000 -3.771 -9.638) 10.350 5.179 ( 0.000 3.771 -9.638) 10.350 7.639 ( 0.000 -6.040 22.933) 23.715 7.639 ( 0.000 6.040 22.933) 23.715 8.687 ( 0.000 -2.151 7.229) 7.543 8.687 ( 0.000 2.151 7.229) 7.543 9.572 ( 0.000 -1.723 22.616) 22.681 9.572 ( 0.000 1.723 22.616) 22.682 10.311 ( 0.000 -8.908 6.205) 10.857 10.311 ( 0.000 8.908 6.205) 10.857 10.662 ( 0.000 -0.960 -8.480) 8.534 10.662 ( 0.000 0.960 -8.480) 8.534 11.355 ( 0.000 -7.925 10.514) 13.166 11.355 ( 0.000 7.925 10.514) 13.166 12.150 ( 0.000 -0.541 0.951) 1.094 12.150 ( 0.000 0.541 0.951) 1.094 12.798 ( 0.000 -9.752 9.254) 13.443 12.798 ( 0.000 9.752 9.254) 13.443 13.450 ( 0.000 -2.095 -27.744) 27.823 13.450 ( 0.000 2.095 -27.744) 27.823 14.059 ( 0.000 -0.197 -13.277) 13.279 14.059 ( 0.000 0.197 -13.277) 13.279 14.723 ( 0.000 -1.456 13.114) 13.194 14.723 ( 0.000 1.456 13.114) 13.194 15.353 ( 0.000 -7.925 -13.979) 16.069 15.353 ( 0.000 7.925 -13.979) 16.069 15.863 ( 0.000 -0.745 0.683) 1.011 15.863 ( 0.000 0.745 0.683) 1.011 16.914 ( 0.000 -0.019 1.986) 1.986 16.914 ( 0.000 0.019 1.986) 1.986 17.434 ( 0.000 -2.487 -4.437) 5.086 17.434 ( 0.000 2.487 -4.437) 5.086 17.906 ( 0.000 -5.163 -10.821) 11.990 17.906 ( 0.000 5.163 -10.821) 11.990 ======================= Grid point 471 (158/192) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.712 ( 18.848 -14.576 9.645) 25.705 4.712 ( 18.848 14.576 9.645) 25.705 5.279 ( 9.635 -13.059 -8.302) 18.229 5.279 ( 9.635 13.059 -8.302) 18.229 7.681 ( 3.756 -6.639 22.653) 23.903 7.681 ( 3.756 6.639 22.653) 23.903 8.599 ( -8.760 -1.049 5.316) 10.300 8.599 ( -8.760 1.049 5.316) 10.300 9.548 ( -4.272 -5.404 23.737) 24.716 9.548 ( -4.272 5.404 23.737) 24.716 10.039 ( -21.948 -12.857 6.973) 26.375 10.039 ( -21.948 12.857 6.973) 26.375 10.615 ( -1.966 -1.708 -5.887) 6.437 10.615 ( -1.966 1.708 -5.887) 6.437 11.408 ( 1.782 -8.913 6.910) 11.418 11.408 ( 1.782 8.913 6.910) 11.418 12.277 ( 11.475 -2.633 2.229) 11.983 12.277 ( 11.475 2.633 2.229) 11.983 12.859 ( 5.325 -7.574 8.165) 12.345 12.859 ( 5.325 7.574 8.165) 12.345 13.456 ( 0.590 -4.084 -26.624) 26.941 13.456 ( 0.590 4.084 -26.624) 26.941 13.981 ( -6.916 -4.788 -14.740) 16.971 13.981 ( -6.916 4.788 -14.740) 16.971 14.805 ( 7.367 -3.263 10.689) 13.386 14.805 ( 7.367 3.263 10.689) 13.386 15.281 ( -4.857 -6.305 -9.833) 12.650 15.281 ( -4.857 6.305 -9.833) 12.650 15.981 ( 9.103 -0.411 0.227) 9.115 15.981 ( 9.103 0.411 0.227) 9.115 16.823 ( -8.232 -4.794 1.705) 9.678 16.823 ( -8.232 4.794 1.705) 9.678 17.470 ( 3.614 -3.447 -5.488) 7.420 17.470 ( 3.614 3.447 -5.488) 7.420 17.929 ( 1.711 -5.721 -10.160) 11.785 17.929 ( 1.711 5.721 -10.160) 11.785 ======================= Grid point 473 (159/192) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.190 ( 26.503 -24.551 7.943) 36.989 5.190 ( 26.503 24.551 7.943) 36.989 5.534 ( 14.459 -23.561 -4.656) 28.033 5.534 ( 14.459 23.561 -4.656) 28.033 7.758 ( 3.078 -11.884 20.686) 24.055 7.758 ( 3.078 11.884 20.686) 24.055 8.342 ( -16.415 -13.095 2.090) 21.102 8.342 ( -16.415 13.095 2.090) 21.102 9.341 ( -14.027 -16.183 23.705) 31.946 9.341 ( -14.027 16.183 23.705) 31.946 9.629 ( -17.431 -26.501 9.466) 33.102 9.629 ( -17.431 26.501 9.466) 33.102 10.679 ( 8.884 -2.770 -1.220) 9.385 10.679 ( 8.884 2.770 -1.220) 9.385 11.364 ( -6.032 -6.428 2.960) 9.298 11.364 ( -6.032 6.428 2.960) 9.298 12.536 ( 12.936 -8.319 3.009) 15.672 12.536 ( 12.936 8.319 3.009) 15.672 12.959 ( 3.041 -2.590 7.707) 8.681 12.959 ( 3.041 2.590 7.707) 8.681 13.478 ( 1.997 -8.981 -24.535) 26.203 13.478 ( 1.997 8.981 -24.535) 26.203 13.823 ( -8.006 -10.795 -20.550) 24.554 13.823 ( -8.006 10.795 -20.550) 24.554 14.978 ( 8.931 -5.777 7.667) 13.112 14.978 ( 8.931 5.777 7.667) 13.112 15.216 ( -1.471 -2.261 -3.464) 4.391 15.216 ( -1.471 2.261 -3.464) 4.391 16.148 ( 6.898 -2.052 1.450) 7.341 16.148 ( 6.898 2.052 1.450) 7.341 16.623 ( -10.905 -6.641 1.390) 12.843 16.623 ( -10.905 6.641 1.390) 12.843 17.581 ( 7.356 -4.569 -7.384) 11.380 17.581 ( 7.356 4.569 -7.384) 11.380 17.946 ( -0.621 -6.363 -9.208) 11.210 17.946 ( -0.621 6.363 -9.208) 11.210 ======================= Grid point 475 (160/192) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.656 ( 16.736 -30.788 4.873) 35.380 5.656 ( 16.736 30.788 4.873) 35.380 5.766 ( 5.588 -30.352 0.340) 30.864 5.766 ( 5.588 30.352 0.340) 30.864 7.806 ( 3.641 -23.120 13.867) 27.204 7.806 ( 3.641 23.120 13.867) 27.204 7.997 ( -15.624 -26.111 5.303) 30.887 7.997 ( -15.624 26.111 5.303) 30.887 9.179 ( 0.237 -14.386 19.362) 24.123 9.179 ( 0.237 14.386 19.362) 24.123 9.325 ( -12.574 -19.345 15.554) 27.825 9.325 ( -12.574 19.345 15.554) 27.825 10.922 ( 13.803 -4.177 0.629) 14.435 10.922 ( 13.803 4.177 0.629) 14.435 11.184 ( -11.556 -5.307 1.327) 12.786 11.184 ( -11.556 5.307 1.327) 12.786 12.770 ( 10.285 -9.431 3.792) 14.460 12.770 ( 10.285 9.431 3.792) 14.460 12.934 ( -5.472 -5.992 6.520) 10.409 12.934 ( -5.472 5.992 6.520) 10.409 13.552 ( 5.418 -14.676 -23.934) 28.593 13.552 ( 5.418 14.676 -23.934) 28.593 13.677 ( -6.735 -15.332 -24.027) 29.287 13.677 ( -6.735 15.332 -24.027) 29.287 15.131 ( 5.727 -5.932 5.181) 9.738 15.131 ( 5.727 5.932 5.181) 9.738 15.198 ( -1.336 -2.767 1.701) 3.512 15.198 ( -1.336 2.767 1.701) 3.512 16.268 ( 6.008 -4.266 2.011) 7.637 16.268 ( 6.008 4.266 2.011) 7.637 16.417 ( -9.136 -6.200 1.570) 11.152 16.417 ( -9.136 6.200 1.570) 11.152 17.746 ( 8.436 -5.677 -8.413) 13.198 17.746 ( 8.436 5.677 -8.413) 13.198 17.888 ( -5.242 -6.355 -8.735) 12.007 17.888 ( -5.242 6.355 -8.735) 12.007 ======================= Grid point 525 (161/192) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.436 ( 0.000 0.000 -25.646) 25.646 4.436 ( 0.000 0.000 25.646) 25.646 4.542 ( 0.000 0.000 -33.087) 33.087 4.542 ( 0.000 0.000 33.087) 33.087 7.288 ( 0.000 0.000 -7.350) 7.350 7.288 ( 0.000 0.000 7.350) 7.350 8.173 ( 0.000 0.000 -5.598) 5.598 8.173 ( 0.000 0.000 5.598) 5.598 8.534 ( 0.000 0.000 -4.615) 4.615 8.534 ( 0.000 0.000 4.615) 4.615 9.624 ( 0.000 0.000 -19.315) 19.315 9.624 ( 0.000 0.000 19.315) 19.315 10.313 ( 0.000 0.000 -4.363) 4.363 10.313 ( 0.000 0.000 4.363) 4.363 10.976 ( 0.000 0.000 -4.065) 4.065 10.976 ( 0.000 0.000 4.065) 4.065 11.913 ( 0.000 0.000 -28.872) 28.872 11.913 ( 0.000 0.000 28.872) 28.872 13.139 ( 0.000 0.000 -2.954) 2.954 13.139 ( 0.000 0.000 2.954) 2.954 13.279 ( 0.000 0.000 -3.443) 3.443 13.279 ( 0.000 0.000 3.443) 3.443 13.699 ( 0.000 0.000 -0.039) 0.039 13.699 ( 0.000 0.000 0.039) 0.039 14.575 ( 0.000 0.000 -16.807) 16.807 14.575 ( 0.000 0.000 16.807) 16.807 14.980 ( 0.000 0.000 -14.016) 14.016 14.980 ( 0.000 0.000 14.016) 14.016 15.217 ( 0.000 0.000 -1.445) 1.445 15.217 ( 0.000 0.000 1.445) 1.445 16.647 ( 0.000 0.000 -5.691) 5.691 16.647 ( 0.000 0.000 5.691) 5.691 16.898 ( 0.000 0.000 -1.561) 1.561 16.898 ( 0.000 0.000 1.561) 1.561 19.691 ( 0.000 0.000 -4.393) 4.393 19.691 ( 0.000 0.000 4.393) 4.393 ======================= Grid point 527 (162/192) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( 21.611 0.000 -22.728) 31.362 4.660 ( 21.611 0.000 22.728) 31.362 4.675 ( 12.795 0.000 -30.816) 33.367 4.675 ( 12.795 0.000 30.816) 33.367 7.320 ( 1.228 0.000 -8.530) 8.618 7.320 ( 1.228 0.000 8.530) 8.618 8.099 ( -5.393 0.000 -8.100) 9.731 8.099 ( -5.393 0.000 8.100) 9.731 8.336 ( -18.242 0.000 -7.014) 19.544 8.336 ( -18.242 0.000 7.014) 19.544 9.614 ( -1.833 0.000 -20.329) 20.412 9.614 ( -1.833 0.000 20.329) 20.412 10.305 ( -0.467 0.000 -4.532) 4.556 10.305 ( -0.467 0.000 4.532) 4.556 11.089 ( 9.969 0.000 -3.843) 10.684 11.089 ( 9.969 0.000 3.843) 10.684 11.815 ( -9.329 0.000 -30.439) 31.837 11.815 ( -9.329 0.000 30.439) 31.837 13.134 ( -0.491 0.000 -2.674) 2.719 13.134 ( -0.491 0.000 2.674) 2.719 13.358 ( 7.772 0.000 -3.964) 8.724 13.358 ( 7.772 0.000 3.964) 8.724 13.703 ( 0.390 0.000 -0.117) 0.407 13.703 ( 0.390 0.000 0.117) 0.407 14.560 ( -1.119 0.000 -18.286) 18.320 14.560 ( -1.119 0.000 18.286) 18.320 14.892 ( -7.193 0.000 -9.800) 12.157 14.892 ( -7.193 0.000 9.800) 12.157 15.242 ( 1.285 0.000 -2.337) 2.667 15.242 ( 1.285 0.000 2.337) 2.667 16.745 ( 8.739 0.000 -8.191) 11.978 16.745 ( 8.739 0.000 8.191) 11.978 16.893 ( -0.517 0.000 -1.415) 1.507 16.893 ( -0.517 0.000 1.415) 1.507 19.634 ( -5.238 0.000 -4.134) 6.673 19.634 ( -5.238 0.000 4.134) 6.673 ======================= Grid point 529 (163/192) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.012 ( 19.257 0.000 -23.975) 30.751 5.012 ( 19.257 0.000 23.975) 30.751 5.247 ( 35.329 0.000 -16.020) 38.792 5.247 ( 35.329 0.000 16.020) 38.792 7.198 ( -15.958 0.000 -10.746) 19.239 7.198 ( -15.958 0.000 10.746) 19.239 7.889 ( -24.107 0.000 -8.955) 25.717 7.889 ( -24.107 0.000 8.955) 25.717 8.086 ( 5.788 0.000 -7.996) 9.871 8.086 ( 5.788 0.000 7.996) 9.871 9.521 ( -7.493 0.000 -18.712) 20.157 9.521 ( -7.493 0.000 18.712) 20.157 10.304 ( 0.332 0.000 -3.824) 3.838 10.304 ( 0.332 0.000 3.824) 3.838 11.308 ( 10.455 0.000 -2.794) 10.821 11.308 ( 10.455 0.000 2.794) 10.821 11.585 ( -11.976 0.000 -26.538) 29.115 11.585 ( -11.976 0.000 26.538) 29.115 13.121 ( -0.768 0.000 -1.877) 2.028 13.121 ( -0.768 0.000 1.877) 2.028 13.571 ( 12.531 0.000 -4.427) 13.290 13.571 ( 12.531 0.000 4.427) 13.290 13.713 ( 0.517 0.000 -0.155) 0.540 13.713 ( 0.517 0.000 0.155) 0.540 14.540 ( -1.167 0.000 -18.333) 18.370 14.540 ( -1.167 0.000 18.333) 18.370 14.735 ( -7.754 0.000 -7.703) 10.930 14.735 ( -7.754 0.000 7.703) 10.930 15.248 ( -0.514 0.000 -1.526) 1.610 15.248 ( -0.514 0.000 1.526) 1.610 16.880 ( -0.654 0.000 -0.994) 1.190 16.880 ( -0.654 0.000 0.994) 1.190 16.937 ( 9.049 0.000 -8.600) 12.484 16.937 ( 9.049 0.000 8.600) 12.484 19.510 ( -6.350 0.000 -3.261) 7.138 19.510 ( -6.350 0.000 3.261) 7.138 ======================= Grid point 531 (164/192) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.348 ( 11.150 0.000 -10.284) 15.168 5.348 ( 11.150 0.000 10.284) 15.168 5.997 ( 37.843 0.000 -10.077) 39.161 5.997 ( 37.843 0.000 10.077) 39.161 6.710 ( -31.050 0.000 -9.784) 32.555 6.710 ( -31.050 0.000 9.784) 32.555 7.485 ( -12.879 0.000 -5.182) 13.882 7.485 ( -12.879 0.000 5.182) 13.882 8.247 ( 6.685 0.000 -2.979) 7.319 8.247 ( 6.685 0.000 2.979) 7.319 9.361 ( -6.175 0.000 -8.414) 10.437 9.361 ( -6.175 0.000 8.414) 10.437 10.312 ( 0.295 0.000 -1.491) 1.519 10.312 ( 0.295 0.000 1.491) 1.519 11.401 ( -5.192 0.000 -10.811) 11.993 11.401 ( -5.192 0.000 10.811) 11.993 11.462 ( 4.226 0.000 -1.022) 4.348 11.462 ( 4.226 0.000 1.022) 4.348 13.108 ( -0.408 0.000 -0.681) 0.794 13.108 ( -0.408 0.000 0.681) 0.794 13.721 ( 0.241 0.000 -0.074) 0.252 13.721 ( 0.241 0.000 0.074) 0.252 13.798 ( 7.973 0.000 -2.697) 8.417 13.798 ( 7.973 0.000 2.697) 8.417 14.483 ( -3.929 0.000 -7.753) 8.692 14.483 ( -3.929 0.000 7.753) 8.692 14.635 ( -1.603 0.000 -3.400) 3.759 14.635 ( -1.603 0.000 3.400) 3.759 15.234 ( -0.601 0.000 -0.448) 0.750 15.234 ( -0.601 0.000 0.448) 0.750 16.870 ( -0.294 0.000 -0.359) 0.464 16.870 ( -0.294 0.000 0.359) 0.464 17.068 ( 3.521 0.000 -3.716) 5.119 17.068 ( 3.521 0.000 3.716) 5.119 19.413 ( -2.747 0.000 -1.324) 3.049 19.413 ( -2.747 0.000 1.324) 3.049 ======================= Grid point 539 (165/192) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.579 ( 0.000 13.995 -20.999) 25.235 4.579 ( 0.000 13.995 20.999) 25.235 4.856 ( 0.000 28.258 -27.739) 39.597 4.856 ( 0.000 28.258 27.739) 39.597 7.349 ( 0.000 5.785 -7.489) 9.463 7.349 ( 0.000 5.785 7.489) 9.463 8.083 ( 0.000 -8.896 -3.778) 9.665 8.083 ( 0.000 -8.896 3.778) 9.665 8.627 ( 0.000 7.840 -6.401) 10.121 8.627 ( 0.000 7.840 6.401) 10.121 9.318 ( 0.000 -23.926 -14.102) 27.773 9.318 ( 0.000 -23.926 14.102) 27.773 10.267 ( 0.000 -2.815 -7.347) 7.868 10.267 ( 0.000 -2.815 7.347) 7.868 11.252 ( 0.000 20.316 -1.321) 20.359 11.252 ( 0.000 20.316 1.321) 20.359 11.885 ( 0.000 -2.166 -29.004) 29.085 11.885 ( 0.000 -2.166 29.004) 29.085 12.956 ( 0.000 -14.055 -3.239) 14.423 12.956 ( 0.000 -14.055 3.239) 14.423 13.333 ( 0.000 7.467 -4.859) 8.908 13.333 ( 0.000 7.467 4.859) 8.908 13.753 ( 0.000 2.075 -3.862) 4.384 13.753 ( 0.000 2.075 3.862) 4.384 14.773 ( 0.000 13.263 -8.353) 15.674 14.773 ( 0.000 13.263 8.353) 15.674 14.927 ( 0.000 -4.996 -11.690) 12.713 14.927 ( 0.000 -4.996 11.690) 12.713 15.241 ( 0.000 4.949 -0.749) 5.005 15.241 ( 0.000 4.949 0.749) 5.005 16.522 ( 0.000 -8.003 -2.889) 8.508 16.522 ( 0.000 -8.003 2.889) 8.508 17.045 ( 0.000 10.334 -3.531) 10.920 17.045 ( 0.000 10.334 3.531) 10.920 19.582 ( 0.000 -10.310 -3.421) 10.863 19.582 ( 0.000 -10.310 3.421) 10.863 ======================= Grid point 541 (166/192) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( 2.807 4.147 -24.353) 24.862 4.554 ( 2.807 4.147 24.353) 24.862 5.159 ( 24.244 30.910 -24.297) 46.190 5.159 ( 24.244 30.910 24.297) 46.190 7.345 ( -3.411 1.714 -7.728) 8.619 7.345 ( -3.411 1.714 7.728) 8.619 7.971 ( -7.959 -9.531 -5.565) 13.607 7.971 ( -7.959 -9.531 5.565) 13.607 8.477 ( -11.845 10.764 -7.342) 17.609 8.477 ( -11.845 10.764 7.342) 17.609 9.428 ( 7.537 -14.912 -16.523) 23.499 9.428 ( 7.537 -14.912 16.523) 23.499 10.270 ( 0.242 -2.489 -6.598) 7.056 10.270 ( 0.242 -2.489 6.598) 7.056 11.268 ( 0.878 13.014 -1.467) 13.126 11.268 ( 0.878 13.014 1.467) 13.126 11.812 ( -6.113 0.948 -27.548) 28.234 11.812 ( -6.113 0.948 27.548) 28.234 13.044 ( 8.148 -12.415 -3.830) 15.335 13.044 ( 8.148 -12.415 3.830) 15.335 13.317 ( -1.290 6.326 -4.190) 7.697 13.317 ( -1.290 6.326 4.190) 7.697 13.765 ( 1.025 1.821 -4.219) 4.708 13.765 ( 1.025 1.821 4.219) 4.708 14.699 ( -6.242 4.639 -16.539) 18.276 14.699 ( -6.242 4.639 16.539) 18.276 14.865 ( -4.771 1.667 -3.313) 6.043 14.865 ( -4.771 1.667 3.313) 6.043 15.289 ( 3.101 6.303 -1.997) 7.303 15.289 ( 3.101 6.303 1.997) 7.303 16.601 ( 7.062 -8.519 -3.974) 11.758 16.601 ( 7.062 -8.519 3.974) 11.758 17.052 ( 0.630 10.095 -4.717) 11.161 17.052 ( 0.630 10.095 4.717) 11.161 19.535 ( -4.397 -9.466 -3.373) 10.969 19.535 ( -4.397 -9.466 3.373) 10.969 ======================= Grid point 543 (167/192) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.738 ( 14.448 -11.132 -19.785) 26.909 4.738 ( 14.448 -11.132 19.785) 26.909 5.708 ( 28.643 27.686 -16.312) 43.047 5.708 ( 28.643 27.686 16.312) 43.047 7.097 ( -19.773 -8.075 -7.284) 22.566 7.097 ( -19.773 -8.075 7.284) 22.566 7.831 ( -10.166 -1.014 -1.330) 10.303 7.831 ( -10.166 -1.014 1.330) 10.303 8.319 ( 0.664 17.426 -7.158) 18.851 8.319 ( 0.664 17.426 7.158) 18.851 9.515 ( 0.219 -0.568 -17.969) 17.979 9.515 ( 0.219 -0.568 17.969) 17.979 10.277 ( 0.514 -2.157 -4.860) 5.342 10.277 ( 0.514 -2.157 4.860) 5.342 11.234 ( -5.147 -5.601 -11.866) 14.095 11.234 ( -5.147 -5.601 11.866) 14.095 11.723 ( -1.068 11.382 -13.754) 17.885 11.723 ( -1.068 11.382 13.754) 17.885 13.212 ( 4.286 2.572 -1.295) 5.164 13.212 ( 4.286 2.572 1.295) 5.164 13.326 ( 5.761 -8.519 -2.644) 10.619 13.326 ( 5.761 -8.519 2.644) 10.619 13.780 ( 0.033 -0.366 -4.387) 4.403 13.780 ( 0.033 -0.366 4.387) 4.403 14.583 ( -4.225 -3.968 -17.271) 18.217 14.583 ( -4.225 -3.968 17.271) 18.217 14.755 ( -6.104 7.061 -5.068) 10.621 14.755 ( -6.104 7.061 5.068) 10.621 15.332 ( 1.158 8.970 -1.516) 9.170 15.332 ( 1.158 8.970 1.516) 9.170 16.761 ( 7.944 -6.848 -3.678) 11.114 16.761 ( 7.944 -6.848 3.678) 11.114 17.062 ( 0.010 7.215 -6.935) 10.007 17.062 ( 0.010 7.215 6.935) 10.007 19.432 ( -5.150 -7.392 -2.859) 9.452 19.432 ( -5.150 -7.392 2.859) 9.452 ======================= Grid point 545 (168/192) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.034 ( 11.248 -21.362 -8.811) 25.700 5.034 ( 11.248 -21.362 8.811) 25.700 6.189 ( 14.980 3.407 -6.947) 16.860 6.189 ( 14.980 3.407 6.947) 16.860 6.734 ( -11.343 11.168 -9.614) 18.596 6.734 ( -11.343 11.168 9.614) 18.596 7.557 ( -12.059 5.527 -3.986) 13.851 7.557 ( -12.059 5.527 3.986) 13.851 8.447 ( 6.755 18.010 -1.557) 19.298 8.447 ( 6.755 18.010 1.557) 19.298 9.460 ( -3.562 9.504 -9.121) 13.646 9.460 ( -3.562 9.504 9.121) 13.646 10.287 ( 0.338 -2.144 -1.873) 2.867 10.287 ( 0.338 -2.144 1.873) 2.867 11.119 ( -4.049 -15.086 -8.592) 17.827 11.119 ( -4.049 -15.086 8.592) 17.827 11.745 ( 1.509 15.037 -2.477) 15.314 11.745 ( 1.509 15.037 2.477) 15.314 13.218 ( -0.600 8.992 -0.798) 9.047 13.218 ( -0.600 8.992 0.798) 9.047 13.507 ( 7.882 -13.442 -1.423) 15.647 13.507 ( 7.882 -13.442 1.423) 15.647 13.751 ( -2.654 -7.133 -2.828) 8.119 13.751 ( -2.654 -7.133 2.828) 8.119 14.550 ( 0.842 -4.520 -13.534) 14.293 14.550 ( 0.842 -4.520 13.534) 14.293 14.637 ( -5.002 7.947 -9.272) 13.197 14.637 ( -5.002 7.947 9.272) 13.197 15.343 ( 0.158 10.805 -0.470) 10.816 15.343 ( 0.158 10.805 0.470) 10.816 16.891 ( 4.311 0.757 -3.102) 5.365 16.891 ( 4.311 0.757 3.102) 5.365 17.046 ( -1.268 -1.149 -5.418) 5.682 17.046 ( -1.268 -1.149 5.418) 5.682 19.354 ( -2.148 -5.529 -1.191) 6.050 19.354 ( -2.148 -5.529 1.191) 6.050 ======================= Grid point 553 (169/192) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( 0.000 22.363 -16.090) 27.550 4.970 ( 0.000 22.363 16.090) 27.550 5.587 ( 0.000 39.633 -22.561) 45.605 5.587 ( 0.000 39.633 22.561) 45.605 7.501 ( 0.000 7.627 -8.348) 11.308 7.501 ( 0.000 7.627 8.348) 11.308 7.770 ( 0.000 -22.397 -2.545) 22.541 7.770 ( 0.000 -22.397 2.545) 22.541 8.757 ( 0.000 -1.901 -12.274) 12.421 8.757 ( 0.000 -1.901 12.274) 12.421 8.937 ( 0.000 -2.196 -5.155) 5.603 8.937 ( 0.000 -2.196 5.155) 5.603 10.216 ( 0.000 -2.208 -8.105) 8.400 10.216 ( 0.000 -2.208 8.105) 8.400 11.585 ( 0.000 7.455 -10.150) 12.593 11.585 ( 0.000 7.455 10.150) 12.593 11.919 ( 0.000 9.643 -19.577) 21.823 11.919 ( 0.000 9.643 19.577) 21.823 12.753 ( 0.000 -3.907 -7.645) 8.586 12.753 ( 0.000 -3.907 7.645) 8.586 13.490 ( 0.000 4.924 -1.669) 5.200 13.490 ( 0.000 4.924 1.669) 5.200 13.778 ( 0.000 1.568 -2.994) 3.380 13.778 ( 0.000 1.568 2.994) 3.380 14.769 ( 0.000 -8.956 -12.948) 15.744 14.769 ( 0.000 -8.956 12.948) 15.744 14.880 ( 0.000 -2.564 -2.622) 3.667 14.880 ( 0.000 -2.564 2.622) 3.667 15.536 ( 0.000 20.449 -1.564) 20.509 15.536 ( 0.000 20.449 1.564) 20.509 16.396 ( 0.000 -3.254 -2.247) 3.954 16.396 ( 0.000 -3.254 2.247) 3.954 17.260 ( 0.000 10.081 -9.261) 13.689 17.260 ( 0.000 10.081 9.261) 13.689 19.285 ( 0.000 -18.097 -1.090) 18.130 19.285 ( 0.000 -18.097 1.090) 18.130 ======================= Grid point 555 (170/192) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.793 ( -11.524 17.157 -18.526) 27.756 4.793 ( -11.524 17.157 18.526) 27.756 5.838 ( 18.623 31.896 -19.218) 41.635 5.838 ( 18.623 31.896 19.218) 41.635 7.323 ( -17.061 -5.223 -4.239) 18.339 7.323 ( -17.061 -5.223 4.239) 18.339 7.801 ( 5.639 -5.013 -4.123) 8.598 7.801 ( 5.639 -5.013 4.123) 8.598 8.733 ( -3.068 14.014 -4.575) 15.058 8.733 ( -3.068 14.014 4.575) 15.058 9.132 ( 17.149 -11.348 -9.399) 22.610 9.132 ( 17.149 -11.348 9.399) 22.610 10.224 ( 0.685 -1.965 -7.873) 8.143 10.224 ( 0.685 -1.965 7.873) 8.143 11.458 ( -11.872 4.884 -14.633) 19.466 11.458 ( -11.872 4.884 14.633) 19.466 11.931 ( 1.323 10.750 -15.311) 18.754 11.931 ( 1.323 10.750 15.311) 18.754 12.837 ( 7.470 -5.187 -6.318) 11.074 12.837 ( 7.470 -5.187 6.318) 11.074 13.479 ( -1.273 4.590 -3.119) 5.693 13.479 ( -1.273 4.590 3.119) 5.693 13.779 ( -0.072 1.713 -5.493) 5.754 13.779 ( -0.072 1.713 5.493) 5.754 14.586 ( -11.028 -9.216 -9.604) 17.286 14.586 ( -11.028 -9.216 9.604) 17.286 14.951 ( 0.931 1.067 -4.880) 5.082 14.951 ( 0.931 1.067 4.880) 5.082 15.563 ( 2.431 18.183 -1.775) 18.430 15.563 ( 2.431 18.183 1.775) 18.430 16.460 ( 6.242 -4.257 -3.688) 8.408 16.460 ( 6.242 -4.257 3.688) 8.408 17.252 ( -1.043 8.986 -9.600) 13.191 17.252 ( -1.043 8.986 9.600) 13.191 19.262 ( -1.991 -16.497 -2.015) 16.739 19.262 ( -1.991 -16.497 2.015) 16.739 ======================= Grid point 557 (171/192) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( -3.428 0.466 -15.163) 15.553 4.636 ( -3.428 0.466 15.163) 15.553 6.132 ( 6.073 8.643 -10.047) 14.578 6.132 ( 6.073 8.643 10.047) 14.578 7.038 ( -5.020 7.817 -8.755) 12.765 7.038 ( -5.020 7.817 8.755) 12.765 7.869 ( -2.782 3.832 -5.623) 7.351 7.869 ( -2.782 3.832 5.623) 7.351 8.730 ( 5.091 21.392 -4.249) 22.396 8.730 ( 5.091 21.392 4.249) 22.396 9.482 ( 15.744 -2.731 -16.158) 22.725 9.482 ( 15.744 -2.731 16.158) 22.725 10.239 ( 0.821 -1.238 -7.498) 7.644 10.239 ( 0.821 -1.238 7.498) 7.644 11.152 ( -17.431 -0.215 -19.109) 25.866 11.152 ( -17.431 -0.215 19.109) 25.866 11.977 ( 3.169 11.837 -8.290) 14.795 11.977 ( 3.169 11.837 8.290) 14.795 13.009 ( 8.849 -9.924 -4.249) 13.959 13.009 ( 8.849 -9.924 4.249) 13.959 13.435 ( -3.111 1.181 -3.551) 4.866 13.435 ( -3.111 1.181 3.551) 4.866 13.758 ( -2.481 3.553 -5.864) 7.291 13.758 ( -2.481 3.553 5.864) 7.291 14.428 ( -3.674 -7.761 -10.467) 13.539 14.428 ( -3.674 -7.761 10.467) 13.539 14.897 ( -5.395 4.602 -5.963) 9.265 14.897 ( -5.395 4.602 5.963) 9.265 15.613 ( 2.133 16.302 -1.403) 16.501 15.613 ( 2.133 16.302 1.403) 16.501 16.631 ( 10.294 -5.065 -5.640) 12.784 16.631 ( 10.294 -5.065 5.640) 12.784 17.200 ( -4.600 5.813 -9.586) 12.118 17.200 ( -4.600 5.813 9.586) 12.118 19.220 ( -1.866 -12.748 -2.312) 13.089 19.220 ( -1.866 -12.748 2.312) 13.089 ======================= Grid point 559 (172/192) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( 1.318 -16.618 -6.302) 17.821 4.631 ( 1.318 -16.618 6.302) 17.821 6.071 ( -5.937 -7.949 -4.010) 10.701 6.071 ( -5.937 -7.949 4.010) 10.701 7.179 ( 12.866 25.577 -10.073) 30.351 7.179 ( 12.866 25.577 10.073) 30.351 7.684 ( -12.099 7.006 -5.785) 15.131 7.684 ( -12.099 7.006 5.785) 15.131 8.887 ( 6.640 21.416 -1.952) 22.507 8.887 ( 6.640 21.416 1.952) 22.507 9.717 ( 6.790 13.414 -11.374) 18.852 9.717 ( 6.790 13.414 11.374) 18.852 10.256 ( 0.694 0.632 -4.629) 4.723 10.256 ( 0.694 0.632 4.629) 4.723 10.842 ( -10.583 -9.639 -12.624) 19.086 10.842 ( -10.583 -9.639 12.624) 19.086 12.038 ( 2.081 12.889 -2.526) 13.298 12.038 ( 2.081 12.889 2.526) 13.298 13.158 ( 5.050 -17.368 -1.944) 18.192 13.158 ( 5.050 -17.368 1.944) 18.192 13.369 ( -2.789 -5.067 -1.451) 5.963 13.369 ( -2.789 -5.067 1.451) 5.963 13.696 ( -2.483 9.453 -2.521) 10.093 13.696 ( -2.483 9.453 2.521) 10.093 14.428 ( 1.869 -5.405 -7.083) 9.104 14.428 ( 1.869 -5.405 7.083) 9.104 14.782 ( -4.491 5.300 -4.779) 8.432 14.782 ( -4.491 5.300 4.779) 8.432 15.642 ( 0.696 16.201 -0.484) 16.223 15.642 ( 0.696 16.201 0.484) 16.223 16.848 ( 10.642 -4.086 -6.621) 13.183 16.848 ( 10.642 -4.086 6.621) 13.183 17.065 ( -8.437 2.300 -8.066) 11.897 17.065 ( -8.437 2.300 8.066) 11.897 19.195 ( -0.600 -9.657 -1.004) 9.728 19.195 ( -0.600 -9.657 1.004) 9.728 ======================= Grid point 567 (173/192) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.393 ( 0.000 14.963 -6.877) 16.468 5.393 ( 0.000 14.963 6.877) 16.468 6.359 ( 0.000 33.305 -14.013) 36.133 6.359 ( 0.000 33.305 14.013) 36.133 7.192 ( 0.000 -30.160 -3.772) 30.395 7.192 ( 0.000 -30.160 3.772) 30.395 7.606 ( 0.000 1.199 -6.313) 6.426 7.606 ( 0.000 1.199 6.313) 6.426 8.777 ( 0.000 11.693 -4.472) 12.518 8.777 ( 0.000 11.693 4.472) 12.518 9.147 ( 0.000 16.798 -4.181) 17.311 9.147 ( 0.000 16.798 4.181) 17.311 10.171 ( 0.000 -2.058 -8.213) 8.467 10.171 ( 0.000 -2.058 8.213) 8.467 11.619 ( 0.000 -1.222 -13.548) 13.603 11.619 ( 0.000 -1.222 13.548) 13.603 12.214 ( 0.000 15.379 -13.977) 20.782 12.214 ( 0.000 15.379 13.977) 20.782 12.811 ( 0.000 8.923 -6.594) 11.095 12.811 ( 0.000 8.923 6.594) 11.095 13.459 ( 0.000 -7.749 -3.958) 8.701 13.459 ( 0.000 -7.749 3.958) 8.701 13.815 ( 0.000 0.251 -5.915) 5.921 13.815 ( 0.000 0.251 5.915) 5.921 14.589 ( 0.000 -7.342 -8.835) 11.488 14.589 ( 0.000 -7.342 8.835) 11.488 14.811 ( 0.000 -2.035 -3.647) 4.177 14.811 ( 0.000 -2.035 3.647) 4.177 15.885 ( 0.000 10.574 -1.073) 10.628 15.885 ( 0.000 10.574 1.073) 10.628 16.440 ( 0.000 8.781 -1.403) 8.892 16.440 ( 0.000 8.781 1.403) 8.892 17.443 ( 0.000 7.318 -14.422) 16.172 17.443 ( 0.000 7.318 14.422) 16.172 18.864 ( 0.000 -22.132 -1.504) 22.183 18.864 ( 0.000 -22.132 1.504) 22.183 ======================= Grid point 569 (174/192) ======================= q-point: ( 0.14 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.136 ( -21.720 11.770 -8.729) 26.201 5.136 ( -21.720 11.770 8.729) 26.201 6.318 ( -4.639 13.633 -7.657) 16.310 6.318 ( -4.639 13.633 7.657) 16.310 7.268 ( 2.905 4.496 -5.227) 7.482 7.268 ( 2.905 4.496 5.227) 7.482 7.687 ( 11.905 -9.637 -5.595) 16.307 7.687 ( 11.905 -9.637 5.595) 16.307 8.947 ( 9.248 5.043 -6.274) 12.261 8.947 ( 9.248 5.043 6.274) 12.261 9.188 ( 9.228 21.296 -8.316) 24.654 9.188 ( 9.228 21.296 8.316) 24.654 10.185 ( 1.344 -1.536 -8.819) 9.053 10.185 ( 1.344 -1.536 8.819) 9.053 11.536 ( -8.523 2.792 -14.966) 17.448 11.536 ( -8.523 2.792 14.966) 17.448 12.174 ( -2.634 11.994 -14.797) 19.228 12.174 ( -2.634 11.994 14.797) 19.228 12.847 ( 2.289 5.044 -8.167) 9.868 12.847 ( 2.289 5.044 8.167) 9.868 13.403 ( -5.120 -10.271 -4.908) 12.482 13.403 ( -5.120 -10.271 4.908) 12.482 13.853 ( 3.388 2.557 -9.693) 10.582 13.853 ( 3.388 2.557 9.693) 10.582 14.452 ( -8.047 -2.088 -8.517) 11.901 14.452 ( -8.047 -2.088 8.517) 11.901 14.927 ( 5.772 -1.948 -7.638) 9.770 14.927 ( 5.772 -1.948 7.638) 9.770 15.875 ( -0.489 9.357 -2.047) 9.590 15.875 ( -0.489 9.357 2.047) 9.590 16.481 ( 4.087 7.486 -3.553) 9.239 16.481 ( 4.087 7.486 3.553) 9.239 17.405 ( -3.908 5.440 -13.826) 15.363 17.405 ( -3.908 5.440 13.826) 15.363 18.882 ( 1.733 -19.832 -2.584) 20.075 18.882 ( 1.733 -19.832 2.584) 20.075 ======================= Grid point 571 (175/192) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -20.722 1.738 -8.573) 22.493 4.683 ( -20.722 1.738 8.573) 22.493 6.164 ( -9.635 2.192 -10.800) 14.638 6.164 ( -9.635 2.192 10.800) 14.638 7.368 ( 9.090 17.973 -10.687) 22.800 7.368 ( 9.090 17.973 10.687) 22.800 7.931 ( 6.748 0.324 -6.065) 9.079 7.931 ( 6.748 0.324 6.065) 9.079 9.029 ( 4.221 2.795 -7.745) 9.253 9.029 ( 4.221 2.795 7.745) 9.253 9.567 ( 22.412 16.953 -11.617) 30.408 9.567 ( 22.412 16.953 11.617) 30.408 10.228 ( 3.595 1.258 -10.687) 11.345 10.228 ( 3.595 1.258 10.687) 11.345 11.274 ( -17.422 10.943 -16.839) 26.586 11.274 ( -17.422 10.943 16.839) 26.586 12.162 ( 2.087 5.586 -13.078) 14.374 12.162 ( 2.087 5.586 13.078) 14.374 12.828 ( -5.635 -9.910 -11.189) 15.974 12.828 ( -5.635 -9.910 11.189) 15.974 13.311 ( -2.276 -6.287 -1.738) 6.908 13.311 ( -2.276 -6.287 1.738) 6.908 13.919 ( 2.332 5.860 -9.180) 11.138 13.919 ( 2.332 5.860 9.180) 11.138 14.357 ( -0.904 2.865 -7.835) 8.391 14.357 ( -0.904 2.865 7.835) 8.391 14.958 ( -2.530 2.083 -6.939) 7.674 14.958 ( -2.530 2.083 6.939) 7.674 15.886 ( 1.567 8.051 -2.345) 8.531 15.886 ( 1.567 8.051 2.345) 8.531 16.606 ( 8.363 4.024 -6.417) 11.283 16.606 ( 8.363 4.024 6.417) 11.283 17.283 ( -8.266 1.883 -11.935) 14.639 17.283 ( -8.266 1.883 11.935) 14.639 18.928 ( 2.546 -15.238 -2.596) 15.666 18.928 ( 2.546 -15.238 2.596) 15.666 ======================= Grid point 573 (176/192) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -8.094 -7.001 -3.641) 11.304 4.383 ( -8.094 -7.001 3.641) 11.304 6.005 ( -4.761 2.906 -4.651) 7.263 6.005 ( -4.761 2.906 4.651) 7.263 7.607 ( 12.956 11.714 -6.402) 18.603 7.607 ( 12.956 11.714 6.402) 18.603 7.891 ( -8.604 15.598 -3.099) 18.081 7.891 ( -8.604 15.598 3.099) 18.081 9.146 ( 4.938 0.603 -3.689) 6.193 9.146 ( 4.938 0.603 3.689) 6.193 9.905 ( 8.214 3.732 -4.249) 9.972 9.905 ( 8.214 3.732 4.249) 9.972 10.405 ( 15.679 15.762 -14.717) 26.662 10.405 ( 15.679 15.762 14.717) 26.662 10.870 ( -21.426 13.974 -16.690) 30.543 10.870 ( -21.426 13.974 16.690) 30.543 12.247 ( 4.931 6.323 -7.368) 10.890 12.247 ( 4.931 6.323 7.368) 10.890 12.660 ( -7.971 -27.672 -7.502) 29.759 12.660 ( -7.971 -27.672 7.502) 29.759 13.311 ( 0.888 0.931 -0.732) 1.481 13.311 ( 0.888 0.931 0.732) 1.481 13.937 ( -0.066 7.686 -3.604) 8.489 13.937 ( -0.066 7.686 3.604) 8.489 14.390 ( 2.489 4.032 -5.069) 6.939 14.390 ( 2.489 4.032 5.069) 6.939 14.877 ( -3.689 4.513 -4.031) 7.087 14.877 ( -3.689 4.513 4.031) 7.087 15.917 ( 1.035 8.854 -0.904) 8.960 15.917 ( 1.035 8.854 0.904) 8.960 16.798 ( 9.612 0.899 -7.100) 11.983 16.798 ( 9.612 0.899 7.100) 11.983 17.093 ( -9.503 -0.233 -8.558) 12.791 17.093 ( -9.503 -0.233 8.558) 12.791 18.969 ( 1.232 -12.132 -1.027) 12.237 18.969 ( 1.232 -12.132 1.027) 12.237 ======================= Grid point 581 (177/192) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.435 ( 0.000 -11.161 -3.997) 11.855 5.435 ( 0.000 -11.161 3.997) 11.855 6.481 ( 0.000 -29.538 -2.044) 29.609 6.481 ( 0.000 -29.538 2.044) 29.609 7.080 ( 0.000 29.330 -8.598) 30.564 7.080 ( 0.000 29.330 8.598) 30.564 7.653 ( 0.000 5.563 -0.113) 5.564 7.653 ( 0.000 5.563 0.113) 5.564 9.160 ( 0.000 21.504 -2.337) 21.631 9.160 ( 0.000 21.504 2.337) 21.631 9.603 ( 0.000 24.268 -5.368) 24.854 9.603 ( 0.000 24.268 5.368) 24.854 10.182 ( 0.000 6.771 -11.800) 13.605 10.182 ( 0.000 6.771 11.800) 13.605 11.534 ( 0.000 -7.694 -8.260) 11.289 11.534 ( 0.000 -7.694 8.260) 11.289 12.504 ( 0.000 12.284 -15.992) 20.165 12.504 ( 0.000 12.284 15.992) 20.165 13.032 ( 0.000 5.563 -2.223) 5.990 13.032 ( 0.000 5.563 2.223) 5.990 13.211 ( 0.000 -11.082 -4.916) 12.124 13.211 ( 0.000 -11.082 4.916) 12.124 13.779 ( 0.000 -2.212 -3.354) 4.017 13.779 ( 0.000 -2.212 3.354) 4.017 14.499 ( 0.000 -0.725 -1.116) 1.331 14.499 ( 0.000 -0.725 1.116) 1.331 14.839 ( 0.000 4.396 -11.847) 12.637 14.839 ( 0.000 4.396 11.847) 12.637 15.975 ( 0.000 0.161 -3.215) 3.219 15.975 ( 0.000 0.161 3.215) 3.219 16.713 ( 0.000 15.265 -7.003) 16.795 16.713 ( 0.000 15.265 7.003) 16.795 17.533 ( 0.000 0.463 -17.553) 17.559 17.533 ( 0.000 0.463 17.553) 17.559 18.410 ( 0.000 -20.989 -3.236) 21.237 18.410 ( 0.000 -20.989 3.236) 21.237 ======================= Grid point 583 (178/192) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.135 ( -23.843 -10.601 -5.660) 26.701 5.135 ( -23.843 -10.601 5.660) 26.701 6.511 ( -1.570 1.573 -11.808) 12.015 6.511 ( -1.570 1.573 11.808) 12.015 7.326 ( 19.398 -1.776 -5.518) 20.246 7.326 ( 19.398 -1.776 5.518) 20.246 7.598 ( 0.013 9.415 -6.797) 11.611 7.598 ( 0.013 9.415 6.797) 11.611 9.164 ( -1.633 15.465 -2.217) 15.708 9.164 ( -1.633 15.465 2.217) 15.708 9.709 ( 9.991 21.891 -6.540) 24.936 9.709 ( 9.991 21.891 6.540) 24.936 10.234 ( 5.608 11.011 -11.851) 17.121 10.234 ( 5.608 11.011 11.851) 17.121 11.516 ( -1.708 -5.667 -8.748) 10.562 11.516 ( -1.708 -5.667 8.748) 10.562 12.427 ( -7.628 11.672 -15.943) 21.180 12.427 ( -7.628 11.672 15.943) 21.180 12.901 ( -12.240 -5.664 -12.722) 18.540 12.901 ( -12.240 -5.664 12.722) 18.540 13.213 ( 1.533 -1.931 -1.243) 2.761 13.213 ( 1.533 -1.931 1.243) 2.761 13.841 ( 4.737 -2.882 -9.083) 10.642 13.841 ( 4.737 -2.882 9.083) 10.642 14.498 ( 0.608 5.613 -8.052) 9.834 14.498 ( 0.608 5.613 8.052) 9.834 14.919 ( 6.148 1.862 -11.296) 12.994 14.919 ( 6.148 1.862 11.296) 12.994 15.955 ( -1.491 0.367 -3.751) 4.053 15.955 ( -1.491 0.366 3.751) 4.053 16.727 ( 1.526 14.127 -7.571) 16.100 16.727 ( 1.526 14.127 7.571) 16.100 17.452 ( -7.409 -1.572 -15.710) 17.440 17.452 ( -7.409 -1.572 15.710) 17.440 18.479 ( 6.049 -18.566 -3.654) 19.866 18.479 ( 6.049 -18.566 3.654) 19.866 ======================= Grid point 585 (179/192) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( -20.918 -2.558 -5.502) 21.780 4.663 ( -20.918 -2.558 5.502) 21.780 6.378 ( -9.921 17.517 -12.275) 23.579 6.378 ( -9.921 17.517 12.275) 23.579 7.511 ( 5.181 -10.724 -2.552) 12.180 7.511 ( 5.181 -10.724 2.552) 12.180 7.931 ( 23.399 6.167 -11.669) 26.864 7.931 ( 23.399 6.167 11.669) 26.864 9.085 ( -4.758 7.643 -6.604) 11.165 9.085 ( -4.758 7.643 6.604) 11.165 9.888 ( 4.896 6.967 -2.735) 8.944 9.888 ( 4.896 6.967 2.735) 8.944 10.445 ( 16.333 21.338 -12.118) 29.478 10.445 ( 16.333 21.338 12.118) 29.478 11.458 ( -4.951 2.772 -11.657) 12.965 11.458 ( -4.951 2.772 11.657) 12.965 12.213 ( -12.718 -0.037 -12.649) 17.937 12.213 ( -12.718 -0.037 12.649) 17.938 12.635 ( -12.113 -3.894 -10.840) 16.716 12.635 ( -12.113 -3.894 10.840) 16.716 13.277 ( 4.400 1.185 -2.678) 5.285 13.277 ( 4.400 1.185 2.678) 5.285 13.920 ( 2.535 -4.245 -9.716) 10.902 13.920 ( 2.535 -4.245 9.716) 10.902 14.536 ( 3.007 12.103 -8.681) 15.195 14.536 ( 3.007 12.103 8.681) 15.195 15.006 ( 1.409 3.026 -8.237) 8.888 15.006 ( 1.409 3.026 8.237) 8.888 15.948 ( 1.418 0.004 -4.098) 4.337 15.948 ( 1.418 0.004 4.098) 4.337 16.780 ( 3.886 10.785 -9.145) 14.664 16.780 ( 3.886 10.785 9.145) 14.664 17.268 ( -10.298 -3.179 -12.697) 16.655 17.268 ( -10.298 -3.179 12.697) 16.655 18.610 ( 6.228 -15.365 -3.010) 16.850 18.610 ( 6.228 -15.365 3.010) 16.850 ======================= Grid point 587 (180/192) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( -8.048 5.347 -2.346) 9.943 4.362 ( -8.048 5.347 2.346) 9.943 6.208 ( -5.149 16.518 -4.688) 17.926 6.208 ( -5.149 16.518 4.688) 17.926 7.623 ( 4.237 -9.496 -1.053) 10.452 7.623 ( 4.237 -9.496 1.053) 10.452 8.258 ( 7.601 16.282 -7.074) 19.311 8.258 ( 7.601 16.282 7.074) 19.311 9.037 ( 0.191 -4.944 -6.014) 7.788 9.037 ( 0.191 -4.944 6.014) 7.788 9.904 ( -1.225 -1.707 -0.617) 2.190 9.904 ( -1.225 -1.707 0.617) 2.190 10.847 ( 21.919 21.774 -14.195) 34.000 10.847 ( 21.919 21.774 14.195) 34.000 11.256 ( -16.132 16.463 -14.078) 27.008 11.256 ( -16.132 16.463 14.078) 27.008 12.009 ( -5.490 -19.779 -4.621) 21.041 12.009 ( -5.490 -19.779 4.621) 21.041 12.464 ( -4.521 6.308 -3.616) 8.562 12.464 ( -4.521 6.308 3.616) 8.562 13.358 ( 2.689 1.989 -1.959) 3.876 13.358 ( 2.689 1.989 1.959) 3.876 13.942 ( 0.136 -4.940 -4.409) 6.623 13.942 ( 0.136 -4.940 4.409) 6.623 14.598 ( 2.373 13.308 -4.465) 14.236 14.598 ( 2.373 13.308 4.465) 14.236 14.987 ( -1.825 6.520 -3.711) 7.721 14.987 ( -1.825 6.520 3.711) 7.721 15.994 ( 2.006 0.133 -1.871) 2.746 15.994 ( 2.006 0.133 1.871) 2.746 16.888 ( 7.096 5.215 -10.735) 13.885 16.888 ( 7.096 5.215 10.735) 13.885 17.062 ( -9.905 -1.117 -11.317) 15.081 17.062 ( -9.905 -1.117 11.317) 15.081 18.702 ( 2.494 -13.852 -1.132) 14.121 18.702 ( 2.494 -13.852 1.132) 14.121 ======================= Grid point 595 (181/192) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.077 ( 0.000 -19.538 -8.555) 21.329 5.077 ( 0.000 -19.538 8.555) 21.329 5.837 ( 0.000 -30.798 -4.010) 31.058 5.837 ( 0.000 -30.798 4.010) 31.058 7.652 ( 0.000 17.602 -14.068) 22.533 7.652 ( 0.000 17.602 14.068) 22.533 7.896 ( 0.000 23.116 -7.324) 24.248 7.896 ( 0.000 23.116 7.324) 24.248 9.569 ( 0.000 15.857 -4.306) 16.432 9.569 ( 0.000 15.857 4.306) 16.432 9.912 ( 0.000 10.378 -6.659) 12.331 9.912 ( 0.000 10.378 6.659) 12.331 10.598 ( 0.000 25.655 -1.704) 25.712 10.598 ( 0.000 25.655 1.704) 25.712 11.329 ( 0.000 -9.025 -10.071) 13.523 11.329 ( 0.000 -9.025 10.071) 13.523 12.580 ( 0.000 -14.462 -5.702) 15.545 12.580 ( 0.000 -14.462 5.702) 15.545 12.840 ( 0.000 -0.591 -17.496) 17.506 12.840 ( 0.000 -0.591 17.496) 17.506 13.257 ( 0.000 0.902 -5.090) 5.169 13.257 ( 0.000 0.902 5.090) 5.169 13.780 ( 0.000 2.882 -0.078) 2.883 13.780 ( 0.000 2.882 0.078) 2.883 14.596 ( 0.000 10.242 -3.664) 10.877 14.596 ( 0.000 10.242 3.664) 10.877 14.952 ( 0.000 5.644 -14.303) 15.377 14.952 ( 0.000 5.644 14.303) 15.377 15.943 ( 0.000 -2.604 -2.577) 3.664 15.943 ( 0.000 -2.604 2.577) 3.664 17.008 ( 0.000 12.726 -9.568) 15.922 17.008 ( 0.000 12.726 9.568) 15.922 17.421 ( 0.000 -11.313 -15.006) 18.793 17.421 ( 0.000 -11.313 15.006) 18.793 18.059 ( 0.000 -12.330 -0.399) 12.336 18.059 ( 0.000 -12.330 0.399) 12.336 ======================= Grid point 597 (182/192) ======================= q-point: ( 0.14 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.870 ( -13.686 -11.475 -9.051) 20.023 4.870 ( -13.686 -11.475 9.051) 20.023 6.159 ( 24.397 -29.424 -7.721) 38.994 6.159 ( 24.397 -29.424 7.721) 38.994 7.596 ( -11.834 20.526 -11.363) 26.277 7.596 ( -11.834 20.526 11.363) 26.277 7.870 ( 5.375 17.155 -5.919) 18.927 7.870 ( 5.375 17.155 5.919) 18.927 9.496 ( -7.116 14.008 -0.807) 15.732 9.496 ( -7.116 14.008 0.807) 15.732 9.955 ( 3.379 9.216 -3.931) 10.574 9.955 ( 3.379 9.216 3.931) 10.574 10.636 ( 3.046 14.973 -7.242) 16.909 10.636 ( 3.046 14.973 7.242) 16.909 11.375 ( 4.549 -1.971 -9.628) 10.830 11.375 ( 4.549 -1.971 9.628) 10.830 12.453 ( -11.518 -12.608 -3.856) 17.507 12.453 ( -11.518 -12.608 3.856) 17.507 12.816 ( -2.062 5.108 -11.302) 12.573 12.816 ( -2.062 5.108 11.302) 12.573 13.273 ( 0.763 2.440 -3.746) 4.535 13.273 ( 0.763 2.440 3.746) 4.535 13.769 ( -0.123 -2.844 -7.274) 7.812 13.769 ( -0.123 -2.844 7.274) 7.812 14.675 ( 6.424 11.328 -6.712) 14.651 14.675 ( 6.424 11.328 6.712) 14.651 14.991 ( 3.807 4.250 -12.350) 13.604 14.991 ( 3.807 4.250 12.350) 13.604 15.944 ( 0.113 -0.653 -2.774) 2.852 15.944 ( 0.113 -0.653 2.774) 2.852 16.996 ( -1.377 10.537 -11.200) 15.439 16.996 ( -1.377 10.537 11.200) 15.439 17.331 ( -7.149 -8.926 -12.879) 17.224 17.331 ( -7.149 -8.926 12.879) 17.224 18.150 ( 7.553 -13.104 -3.350) 15.491 18.150 ( 7.553 -13.104 3.350) 15.491 ======================= Grid point 599 (183/192) ======================= q-point: ( 0.29 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.664 ( -6.232 4.524 -6.405) 10.016 4.664 ( -6.232 4.524 6.405) 10.016 6.592 ( 14.043 -11.309 -7.652) 19.587 6.592 ( 14.043 -11.309 7.652) 19.587 7.287 ( -12.095 7.214 -2.171) 14.250 7.287 ( -12.095 7.214 2.171) 14.250 8.125 ( 17.468 9.510 -6.483) 20.919 8.125 ( 17.468 9.510 6.483) 20.919 9.301 ( -11.837 10.314 -3.633) 16.115 9.301 ( -11.837 10.314 3.633) 16.115 9.981 ( -2.338 5.532 -1.988) 6.327 9.981 ( -2.338 5.532 1.988) 6.327 10.731 ( 7.670 -3.412 -13.179) 15.626 10.731 ( 7.670 -3.412 13.179) 15.626 11.464 ( 1.975 5.122 -5.854) 8.026 11.464 ( 1.975 5.122 5.854) 8.026 12.205 ( -10.737 1.489 -11.814) 16.034 12.205 ( -10.737 1.489 11.814) 16.034 12.749 ( -4.595 11.858 -8.233) 15.149 12.749 ( -4.595 11.858 8.233) 15.149 13.295 ( 2.124 -0.013 -4.279) 4.777 13.295 ( 2.124 -0.013 4.279) 4.777 13.784 ( 1.029 -8.412 -9.948) 13.069 13.784 ( 1.029 -8.412 9.948) 13.069 14.795 ( 4.860 12.463 -8.462) 15.829 14.795 ( 4.860 12.463 8.462) 15.829 15.082 ( 4.328 3.788 -7.377) 9.354 15.082 ( 4.328 3.788 7.377) 9.354 15.957 ( 1.506 1.956 -2.826) 3.752 15.957 ( 1.506 1.956 2.826) 3.752 16.939 ( -4.628 0.516 -12.417) 13.261 16.939 ( -4.628 0.516 12.417) 13.261 17.210 ( -3.735 1.465 -9.026) 9.878 17.210 ( -3.735 1.465 9.026) 9.878 18.303 ( 6.790 -14.495 -3.318) 16.347 18.303 ( 6.790 -14.495 3.318) 16.347 ======================= Grid point 601 (184/192) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.606 ( -0.642 18.117 -2.351) 18.281 4.606 ( -0.642 18.117 2.351) 18.281 6.626 ( -4.553 19.782 -4.272) 20.744 6.626 ( -4.553 19.782 4.272) 20.744 7.257 ( 4.008 -21.009 -1.224) 21.423 7.257 ( 4.008 -21.009 1.224) 21.423 8.480 ( 14.712 4.747 -4.441) 16.085 8.480 ( 14.712 4.747 4.441) 16.085 9.057 ( -10.676 5.317 -4.849) 12.875 9.057 ( -10.676 5.317 4.849) 12.875 9.888 ( -4.409 -0.360 -1.796) 4.774 9.888 ( -4.409 -0.360 1.796) 4.774 10.934 ( 10.061 -15.125 -9.831) 20.655 10.934 ( 10.061 -15.125 9.831) 20.655 11.390 ( -7.451 4.844 -6.306) 10.897 11.390 ( -7.451 4.844 6.306) 10.897 12.092 ( -1.208 21.446 -7.632) 22.796 12.092 ( -1.208 21.446 7.632) 22.796 12.661 ( -3.041 12.838 -4.206) 13.847 12.661 ( -3.041 12.838 4.206) 13.847 13.349 ( 2.233 -3.210 -3.104) 4.993 13.349 ( 2.233 -3.210 3.104) 4.993 13.794 ( -0.026 -9.049 -5.089) 10.382 13.794 ( -0.026 -9.049 5.089) 10.382 14.861 ( 1.680 11.601 -4.099) 12.418 14.861 ( 1.680 11.601 4.099) 12.418 15.137 ( 1.106 7.248 -2.608) 7.782 15.137 ( 1.106 7.248 2.608) 7.782 16.000 ( 1.945 1.937 -1.467) 3.112 16.000 ( 1.945 1.936 1.467) 3.112 16.841 ( -3.608 -8.144 -5.057) 10.243 16.841 ( -3.608 -8.144 5.057) 10.243 17.179 ( -0.206 10.491 -2.773) 10.853 17.179 ( -0.206 10.491 2.773) 10.853 18.400 ( 2.560 -15.537 -1.314) 15.801 18.400 ( 2.560 -15.537 1.314) 15.801 ======================= Grid point 609 (185/192) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.749 ( 0.000 -10.905 -8.021) 13.538 4.749 ( 0.000 -10.905 8.021) 13.538 5.287 ( 0.000 -20.974 -4.932) 21.546 5.287 ( 0.000 -20.974 4.932) 21.546 7.836 ( 0.000 4.739 -7.566) 8.928 7.836 ( 0.000 4.739 7.566) 8.928 8.456 ( 0.000 24.078 -3.391) 24.316 8.456 ( 0.000 24.078 3.391) 24.316 9.757 ( 0.000 5.932 -1.854) 6.215 9.757 ( 0.000 5.932 1.854) 6.215 10.244 ( 0.000 18.843 -7.717) 20.362 10.244 ( 0.000 18.843 7.717) 20.362 10.688 ( 0.000 -14.105 -1.335) 14.168 10.688 ( 0.000 -14.105 1.335) 14.168 11.432 ( 0.000 11.766 -8.042) 14.251 11.432 ( 0.000 11.766 8.042) 14.251 12.207 ( 0.000 -12.273 -2.305) 12.487 12.207 ( 0.000 -12.273 2.305) 12.487 12.926 ( 0.000 4.203 -17.816) 18.305 12.926 ( 0.000 4.203 17.816) 18.305 13.162 ( 0.000 -8.201 -7.828) 11.337 13.162 ( 0.000 -8.201 7.828) 11.337 13.871 ( 0.000 4.697 -0.163) 4.700 13.871 ( 0.000 4.697 0.163) 4.700 14.854 ( 0.000 12.403 -9.907) 15.874 14.854 ( 0.000 12.402 9.907) 15.874 15.043 ( 0.000 2.656 -16.513) 16.725 15.043 ( 0.000 2.656 16.513) 16.725 15.890 ( 0.000 -2.077 -1.003) 2.307 15.890 ( 0.000 -2.077 1.003) 2.307 17.077 ( 0.000 -10.794 -0.650) 10.813 17.077 ( 0.000 -10.794 0.650) 10.813 17.298 ( 0.000 6.883 -0.469) 6.899 17.298 ( 0.000 6.883 0.469) 6.899 17.871 ( 0.000 -7.073 -3.838) 8.047 17.871 ( 0.000 -7.073 3.838) 8.047 ======================= Grid point 611 (186/192) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.752 ( 2.603 0.816 -10.199) 10.557 4.752 ( 2.603 0.816 10.199) 10.557 5.539 ( 21.800 -27.925 -8.764) 36.495 5.539 ( 21.800 -27.925 8.764) 36.495 7.864 ( 0.882 6.696 -9.256) 11.458 7.864 ( 0.882 6.696 9.256) 11.458 8.339 ( -9.372 23.332 -3.698) 25.415 8.339 ( -9.372 23.332 3.698) 25.415 9.692 ( -7.431 7.586 -0.534) 10.633 9.692 ( -7.431 7.586 0.534) 10.633 10.226 ( -2.950 11.971 -7.928) 14.658 10.226 ( -2.950 11.971 7.928) 14.658 10.535 ( -9.019 -14.382 -5.828) 17.949 10.535 ( -9.019 -14.382 5.828) 17.949 11.526 ( 4.573 4.804 -8.605) 10.864 11.526 ( 4.573 4.804 8.605) 10.864 12.236 ( 4.034 -1.434 -3.521) 5.543 12.236 ( 4.034 -1.434 3.521) 5.543 12.937 ( 1.426 4.804 -14.127) 14.990 12.937 ( 1.426 4.804 14.127) 14.990 13.215 ( 4.101 -7.728 -8.909) 12.486 13.215 ( 4.101 -7.728 8.909) 12.486 13.779 ( -8.138 3.378 -6.116) 10.726 13.779 ( -8.138 3.378 6.116) 10.726 14.912 ( 5.231 10.039 -6.459) 13.033 14.912 ( 5.231 10.039 6.459) 13.033 15.059 ( 1.844 1.736 -12.272) 12.530 15.059 ( 1.844 1.736 12.272) 12.530 15.952 ( 5.187 1.636 -0.912) 5.515 15.952 ( 5.187 1.636 0.912) 5.515 16.980 ( -8.470 -10.567 -6.174) 14.884 16.980 ( -8.470 -10.567 6.174) 14.884 17.313 ( 1.521 7.631 -1.597) 7.944 17.313 ( 1.521 7.631 1.597) 7.944 17.927 ( 4.667 -8.963 -4.080) 10.898 17.927 ( 4.667 -8.963 4.080) 10.898 ======================= Grid point 613 (187/192) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.888 ( 10.240 17.369 -7.429) 21.488 4.888 ( 10.240 17.369 7.429) 21.488 6.035 ( 25.151 -32.953 -6.451) 41.954 6.035 ( 25.151 -32.953 6.451) 41.954 7.713 ( -16.558 23.360 -9.714) 30.236 7.713 ( -16.558 23.360 9.714) 30.236 8.277 ( 5.146 4.792 -10.000) 12.224 8.277 ( 5.146 4.792 10.000) 12.224 9.459 ( -14.526 6.455 -1.292) 15.948 9.459 ( -14.526 6.455 1.292) 15.948 10.020 ( -15.001 -9.760 -10.410) 20.704 10.020 ( -15.001 -9.760 10.410) 20.704 10.561 ( 9.605 0.784 -4.150) 10.493 10.561 ( 9.605 0.784 4.150) 10.493 11.510 ( -5.585 -5.126 -5.869) 9.586 11.510 ( -5.585 -5.126 5.869) 9.586 12.383 ( 9.560 14.764 -10.420) 20.444 12.383 ( 9.560 14.764 10.420) 20.444 12.978 ( 1.852 8.238 -8.750) 12.160 12.978 ( 1.852 8.238 8.750) 12.160 13.263 ( -0.512 -3.829 -9.632) 10.377 13.263 ( -0.512 -3.829 9.632) 10.377 13.621 ( -5.464 -5.561 -11.172) 13.623 13.621 ( -5.464 -5.561 11.172) 13.623 15.015 ( 3.911 8.111 -7.335) 11.614 15.015 ( 3.911 8.111 7.335) 11.614 15.135 ( 5.728 0.970 -3.199) 6.632 15.135 ( 5.728 0.970 3.199) 6.632 16.053 ( 4.197 7.084 -1.002) 8.295 16.053 ( 4.197 7.084 1.002) 8.295 16.789 ( -9.677 -10.867 -6.462) 15.921 16.789 ( -9.677 -10.867 6.462) 15.921 17.361 ( 3.193 9.940 -1.251) 10.515 17.361 ( 3.193 9.940 1.251) 10.515 18.019 ( 3.832 -12.819 -3.590) 13.853 18.019 ( 3.832 -12.819 3.590) 13.853 ======================= Grid point 615 (188/192) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( 7.116 28.201 -2.637) 29.205 5.088 ( 7.116 28.201 2.637) 29.205 6.433 ( 11.855 -31.881 -2.200) 34.084 6.433 ( 11.855 -31.881 2.200) 34.084 7.393 ( -10.696 28.248 -2.802) 30.335 7.393 ( -10.696 28.248 2.802) 30.335 8.416 ( 5.500 -12.116 -5.159) 14.271 8.416 ( 5.500 -12.116 5.159) 14.271 9.199 ( -8.684 8.765 -1.349) 12.412 9.199 ( -8.684 8.765 1.349) 12.412 9.769 ( -7.739 -13.069 -5.114) 16.027 9.769 ( -7.739 -13.069 5.114) 16.027 10.770 ( 8.100 4.676 -2.584) 9.704 10.770 ( 8.100 4.676 2.584) 9.704 11.370 ( -6.067 -7.482 -3.257) 10.168 11.370 ( -6.067 -7.482 3.257) 10.168 12.558 ( 6.234 21.081 -7.432) 23.206 12.558 ( 6.234 21.081 7.432) 23.206 12.968 ( -2.544 15.639 -6.117) 16.984 12.968 ( -2.544 15.639 6.117) 16.984 13.230 ( -0.892 -7.859 -2.235) 8.219 13.230 ( -0.892 -7.859 2.235) 8.219 13.578 ( -0.259 -11.853 -5.223) 12.955 13.578 ( -0.259 -11.853 5.223) 12.955 15.066 ( 1.340 8.337 -3.216) 9.036 15.066 ( 1.340 8.337 3.216) 9.036 15.237 ( 3.194 1.635 -0.749) 3.665 15.237 ( 3.194 1.635 0.750) 3.665 16.112 ( 1.710 9.031 -0.773) 9.224 16.112 ( 1.710 9.031 0.773) 9.224 16.633 ( -4.816 -11.429 -2.988) 12.757 16.633 ( -4.816 -11.429 2.988) 12.757 17.421 ( 2.020 12.822 -0.564) 12.992 17.421 ( 2.020 12.822 0.564) 12.992 18.069 ( 1.192 -16.330 -1.508) 16.442 18.069 ( 1.192 -16.330 1.508) 16.442 ======================= Grid point 623 (189/192) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.642 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 -0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 -0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 -0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 -0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 -0.000 -0.000) 0.000 12.988 ( 0.000 -0.000 0.000) 0.000 13.027 ( 0.000 0.000 -0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 15.032 ( 0.000 0.000 0.002) 0.002 15.032 ( 0.000 -0.001 0.003) 0.003 15.034 ( 0.000 0.001 -0.003) 0.003 15.034 ( 0.000 -0.000 -0.002) 0.002 15.869 ( 0.000 0.000 0.000) 0.000 15.869 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 17.403 ( 0.000 0.000 -0.000) 0.000 17.403 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 627 (190/192) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.837 ( 18.335 -0.000 0.000) 18.335 4.837 ( 18.335 0.000 -0.000) 18.335 5.166 ( 10.870 -0.000 0.000) 10.870 5.166 ( 10.870 0.000 0.000) 10.870 7.929 ( 3.958 -0.000 0.000) 3.958 7.929 ( 3.958 0.000 0.000) 3.958 8.613 ( -11.004 0.000 0.000) 11.004 8.613 ( -11.004 0.000 0.000) 11.004 9.854 ( -1.791 0.000 0.000) 1.791 9.854 ( -1.791 0.000 0.000) 1.791 10.116 ( -24.679 0.000 -0.000) 24.679 10.116 ( -24.679 0.000 0.000) 24.679 10.538 ( 1.876 0.000 0.000) 1.876 10.538 ( 1.876 0.000 0.000) 1.876 11.488 ( -1.167 0.000 0.000) 1.167 11.488 ( -1.167 0.000 0.000) 1.167 12.312 ( 13.117 0.000 0.000) 13.117 12.312 ( 13.117 0.000 0.000) 13.117 13.012 ( 2.283 0.000 -0.000) 2.283 13.012 ( 2.283 0.000 0.000) 2.283 13.069 ( 4.130 0.000 -0.000) 4.130 13.069 ( 4.130 -0.000 0.000) 4.130 13.830 ( -9.534 0.000 -0.000) 9.534 13.830 ( -9.534 0.000 0.000) 9.534 15.037 ( 1.502 0.000 0.000) 1.502 15.037 ( 1.502 -0.000 0.000) 1.502 15.058 ( 2.600 0.000 -0.000) 2.600 15.058 ( 2.600 0.000 -0.000) 2.600 15.982 ( 9.332 0.000 0.000) 9.332 15.982 ( 9.332 0.000 0.000) 9.332 16.840 ( -8.400 0.000 0.000) 8.400 16.840 ( -8.400 0.000 0.000) 8.400 17.423 ( 2.262 0.000 -0.000) 2.262 17.423 ( 2.262 0.000 0.000) 2.262 17.814 ( 2.490 0.000 0.000) 2.490 17.814 ( 2.490 0.000 0.000) 2.490 ======================= Grid point 631 (191/192) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.297 ( 25.098 -0.000 0.000) 25.098 5.297 ( 25.098 0.000 -0.000) 25.098 5.458 ( 16.903 -0.000 0.000) 16.903 5.458 ( 16.903 0.000 0.000) 16.903 8.001 ( 1.742 -0.000 0.000) 1.742 8.001 ( 1.742 0.000 0.000) 1.742 8.316 ( -17.157 0.000 -0.000) 17.157 8.316 ( -17.157 0.000 0.000) 17.157 9.617 ( -21.205 0.000 -0.000) 21.205 9.617 ( -21.205 0.000 0.000) 21.205 9.735 ( -9.977 -0.000 -0.000) 9.977 9.735 ( -9.977 0.000 0.000) 9.977 10.669 ( 11.142 0.000 0.000) 11.142 10.669 ( 11.142 0.000 0.000) 11.142 11.398 ( -7.486 0.000 0.000) 7.486 11.398 ( -7.486 0.000 0.000) 7.486 12.595 ( 13.830 -0.000 0.000) 13.830 12.595 ( 13.830 0.000 0.000) 13.830 13.066 ( 2.415 0.000 -0.000) 2.415 13.066 ( 2.415 0.000 0.000) 2.415 13.174 ( 5.619 -0.000 -0.000) 5.619 13.174 ( 5.619 -0.000 0.000) 5.619 13.579 ( -14.096 0.000 -0.000) 14.096 13.579 ( -14.096 0.000 0.000) 14.096 15.111 ( 5.188 -0.000 0.000) 5.188 15.111 ( 5.188 0.000 0.000) 5.188 15.129 ( 4.160 0.000 -0.000) 4.160 15.129 ( 4.160 0.000 -0.000) 4.160 16.164 ( 7.723 0.000 0.000) 7.723 16.164 ( 7.723 0.000 0.000) 7.723 16.638 ( -10.910 0.000 0.000) 10.910 16.638 ( -10.910 0.000 0.000) 10.910 17.506 ( 6.220 0.000 -0.000) 6.220 17.506 ( 6.220 0.000 0.000) 6.220 17.845 ( -0.126 0.000 0.000) 0.126 17.845 ( -0.126 0.000 0.000) 0.126 ======================= Grid point 635 (192/192) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.717 ( 13.562 -0.000 0.000) 13.562 5.717 ( 13.562 0.000 0.000) 13.562 5.752 ( 9.380 -0.000 0.000) 9.380 5.752 ( 9.380 0.000 0.000) 9.380 7.970 ( -3.090 -0.000 0.000) 3.090 7.970 ( -3.090 -0.000 0.000) 3.090 8.018 ( -9.895 0.000 -0.000) 9.895 8.018 ( -9.895 0.000 0.000) 9.895 9.386 ( -1.096 -0.000 -0.000) 1.096 9.386 ( -1.096 0.000 0.000) 1.096 9.509 ( -10.850 -0.000 0.000) 10.850 9.509 ( -10.850 0.000 0.000) 10.850 10.936 ( 14.207 0.000 0.000) 14.207 10.936 ( 14.207 0.000 0.000) 14.207 11.202 ( -11.897 -0.000 0.000) 11.897 11.202 ( -11.897 0.000 0.000) 11.897 12.855 ( 12.255 -0.000 -0.000) 12.255 12.855 ( 12.255 -0.000 -0.000) 12.255 13.054 ( -5.608 0.000 -0.000) 5.608 13.054 ( -5.608 0.000 0.000) 5.608 13.265 ( 3.171 -0.000 -0.000) 3.171 13.265 ( 3.171 -0.000 0.000) 3.171 13.343 ( -7.278 0.000 -0.000) 7.278 13.343 ( -7.278 0.000 0.000) 7.278 15.201 ( 2.762 -0.000 0.000) 2.762 15.201 ( 2.762 0.000 0.000) 2.762 15.202 ( 2.414 -0.000 -0.000) 2.414 15.202 ( 2.414 0.000 -0.000) 2.414 16.292 ( 5.923 0.000 0.000) 5.923 16.292 ( 5.923 0.000 0.000) 5.923 16.435 ( -8.805 -0.000 0.000) 8.805 16.435 ( -8.805 0.000 0.000) 8.805 17.657 ( 8.035 -0.000 0.000) 8.035 17.657 ( 8.035 0.000 0.000) 8.035 17.794 ( -5.028 0.000 0.000) 5.028 17.794 ( -5.028 0.000 0.000) 5.028 =================== 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 3/35280 10.0 593.965 629.532 1343.997 0.000 0.000 -0.000 3/35280 20.0 1649.443 1434.613 2173.787 0.000 0.000 0.000 3/35280 30.0 933.001 878.724 880.655 0.000 0.000 0.000 3/35280 40.0 427.912 417.051 455.385 0.000 0.000 0.000 3/35280 50.0 231.302 228.245 264.069 0.000 0.000 0.000 3/35280 60.0 145.366 143.790 172.059 0.000 0.000 0.000 3/35280 70.0 100.704 99.533 121.681 0.000 0.000 0.000 3/35280 80.0 74.354 73.444 90.828 0.000 0.000 0.000 3/35280 90.0 57.443 56.784 70.506 0.000 0.000 0.000 3/35280 100.0 45.948 45.523 56.461 0.000 0.000 0.000 3/35280 110.0 37.795 37.574 46.401 0.000 0.000 0.000 3/35280 120.0 31.813 31.763 38.982 0.000 0.000 0.000 3/35280 130.0 27.299 27.386 33.372 0.000 0.000 0.000 3/35280 140.0 23.809 24.005 29.035 0.000 0.000 0.000 3/35280 150.0 21.054 21.336 25.616 0.000 0.000 0.000 3/35280 160.0 18.838 19.187 22.872 0.000 0.000 0.000 3/35280 170.0 17.026 17.427 20.634 0.000 0.000 0.000 3/35280 180.0 15.523 15.964 18.783 0.000 0.000 0.000 3/35280 190.0 14.260 14.730 17.232 0.000 0.000 0.000 3/35280 200.0 13.187 13.679 15.916 0.000 0.000 0.000 3/35280 210.0 12.264 12.772 14.789 0.000 0.000 0.000 3/35280 220.0 11.463 11.982 13.813 0.000 0.000 0.000 3/35280 230.0 10.763 11.289 12.961 0.000 0.000 0.000 3/35280 240.0 10.145 10.676 12.212 0.000 0.000 0.000 3/35280 250.0 9.597 10.129 11.548 0.000 0.000 0.000 3/35280 260.0 9.107 9.639 10.955 0.000 0.000 0.000 3/35280 270.0 8.666 9.196 10.423 0.000 0.000 0.000 3/35280 280.0 8.268 8.795 9.942 0.000 0.000 0.000 3/35280 290.0 7.906 8.429 9.507 0.000 0.000 0.000 3/35280 300.0 7.576 8.094 9.110 0.000 0.000 0.000 3/35280 310.0 7.274 7.787 8.746 0.000 0.000 0.000 3/35280 320.0 6.996 7.503 8.412 0.000 0.000 0.000 3/35280 330.0 6.740 7.240 8.104 0.000 0.000 0.000 3/35280 340.0 6.502 6.996 7.819 0.000 0.000 0.000 3/35280 350.0 6.282 6.769 7.555 0.000 0.000 0.000 3/35280 360.0 6.076 6.557 7.309 0.000 0.000 0.000 3/35280 370.0 5.885 6.358 7.079 0.000 0.000 0.000 3/35280 380.0 5.705 6.172 6.864 0.000 0.000 0.000 3/35280 390.0 5.537 5.997 6.662 0.000 0.000 0.000 3/35280 400.0 5.379 5.832 6.472 0.000 0.000 0.000 3/35280 410.0 5.230 5.676 6.294 0.000 0.000 0.000 3/35280 420.0 5.089 5.529 6.125 0.000 0.000 0.000 3/35280 430.0 4.956 5.389 5.966 0.000 0.000 0.000 3/35280 440.0 4.830 5.257 5.815 0.000 0.000 0.000 3/35280 450.0 4.711 5.131 5.672 0.000 0.000 0.000 3/35280 460.0 4.597 5.011 5.537 0.000 0.000 0.000 3/35280 470.0 4.490 4.897 5.407 0.000 0.000 0.000 3/35280 480.0 4.387 4.789 5.284 0.000 0.000 0.000 3/35280 490.0 4.289 4.685 5.167 0.000 0.000 0.000 3/35280 500.0 4.195 4.585 5.055 0.000 0.000 0.000 3/35280 510.0 4.106 4.490 4.948 0.000 0.000 0.000 3/35280 520.0 4.021 4.399 4.845 0.000 0.000 0.000 3/35280 530.0 3.939 4.312 4.747 0.000 0.000 0.000 3/35280 540.0 3.860 4.228 4.653 0.000 0.000 0.000 3/35280 550.0 3.785 4.148 4.563 0.000 0.000 0.000 3/35280 560.0 3.712 4.070 4.476 0.000 0.000 0.000 3/35280 570.0 3.643 3.996 4.392 0.000 0.000 0.000 3/35280 580.0 3.576 3.924 4.312 0.000 0.000 0.000 3/35280 590.0 3.511 3.855 4.235 0.000 0.000 0.000 3/35280 600.0 3.449 3.788 4.160 0.000 0.000 0.000 3/35280 610.0 3.389 3.723 4.089 0.000 0.000 0.000 3/35280 620.0 3.332 3.661 4.019 0.000 0.000 0.000 3/35280 630.0 3.276 3.601 3.952 0.000 0.000 0.000 3/35280 640.0 3.222 3.543 3.888 0.000 0.000 0.000 3/35280 650.0 3.170 3.487 3.825 0.000 0.000 0.000 3/35280 660.0 3.119 3.432 3.764 0.000 0.000 0.000 3/35280 670.0 3.071 3.380 3.706 0.000 0.000 0.000 3/35280 680.0 3.023 3.328 3.649 0.000 0.000 0.000 3/35280 690.0 2.978 3.279 3.594 0.000 0.000 0.000 3/35280 700.0 2.933 3.231 3.541 0.000 0.000 0.000 3/35280 710.0 2.890 3.184 3.489 0.000 0.000 0.000 3/35280 720.0 2.848 3.139 3.439 0.000 0.000 0.000 3/35280 730.0 2.808 3.095 3.390 0.000 0.000 0.000 3/35280 740.0 2.768 3.052 3.343 0.000 0.000 0.000 3/35280 750.0 2.730 3.010 3.297 0.000 0.000 0.000 3/35280 760.0 2.693 2.970 3.252 0.000 0.000 0.000 3/35280 770.0 2.657 2.931 3.208 0.000 0.000 0.000 3/35280 780.0 2.621 2.892 3.166 0.000 0.000 0.000 3/35280 790.0 2.587 2.855 3.125 0.000 0.000 0.000 3/35280 800.0 2.554 2.819 3.085 0.000 0.000 0.000 3/35280 810.0 2.521 2.783 3.045 0.000 0.000 0.000 3/35280 820.0 2.489 2.749 3.007 0.000 0.000 0.000 3/35280 830.0 2.458 2.715 2.970 0.000 0.000 0.000 3/35280 840.0 2.428 2.682 2.934 0.000 0.000 0.000 3/35280 850.0 2.399 2.650 2.899 0.000 0.000 0.000 3/35280 860.0 2.370 2.619 2.864 0.000 0.000 0.000 3/35280 870.0 2.342 2.588 2.830 0.000 0.000 0.000 3/35280 880.0 2.315 2.558 2.797 0.000 0.000 0.000 3/35280 890.0 2.288 2.529 2.765 0.000 0.000 0.000 3/35280 900.0 2.262 2.501 2.734 0.000 0.000 0.000 3/35280 910.0 2.237 2.473 2.703 0.000 0.000 0.000 3/35280 920.0 2.212 2.446 2.673 0.000 0.000 0.000 3/35280 930.0 2.188 2.419 2.644 0.000 0.000 0.000 3/35280 940.0 2.164 2.393 2.615 0.000 0.000 0.000 3/35280 950.0 2.140 2.367 2.587 0.000 0.000 0.000 3/35280 960.0 2.118 2.342 2.560 0.000 0.000 0.000 3/35280 970.0 2.095 2.318 2.533 0.000 0.000 0.000 3/35280 980.0 2.074 2.294 2.507 0.000 0.000 0.000 3/35280 990.0 2.052 2.271 2.481 0.000 0.000 0.000 3/35280 1000.0 2.031 2.248 2.456 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m71410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:41:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|