----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:22:49]------------------------- 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 7.519116120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.477938779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.039416789999999 Atomic positions (fractional): *1 Cl 0.98204017056709 0.25000000000000 0.33983206433346 35.453 2 Cl 0.01795982943291 0.75000000000000 0.66016793566654 35.453 3 Cl 0.48204017056709 0.25000000000000 0.16016793566654 35.453 4 Cl 0.51795982943291 0.75000000000000 0.83983206433346 35.453 *5 Cl 0.14164449017714 0.75000000000000 0.07806824976430 35.453 6 Cl 0.85835550982286 0.25000000000000 0.92193175023570 35.453 7 Cl 0.64164449017714 0.75000000000000 0.42193175023570 35.453 8 Cl 0.35835550982286 0.25000000000000 0.57806824976430 35.453 *9 Pb 0.76287494449101 0.25000000000000 0.59526508576616 207.200 10 Pb 0.23712505550899 0.75000000000000 0.40473491423384 207.200 11 Pb 0.26287494449101 0.25000000000000 0.90473491423384 207.200 12 Pb 0.73712505550899 0.75000000000000 0.09526508576616 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.519116120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.477938779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.039416789999999 Atomic positions (fractional): *1 Cl 0.98204017056709 0.25000000000000 0.33983206433346 35.453 > 1 2 Cl 0.01795982943291 0.75000000000000 0.66016793566654 35.453 > 2 3 Cl 0.48204017056709 0.25000000000000 0.16016793566654 35.453 > 3 4 Cl 0.51795982943291 0.75000000000000 0.83983206433346 35.453 > 4 *5 Cl 0.14164449017714 0.75000000000000 0.07806824976430 35.453 > 5 6 Cl 0.85835550982286 0.25000000000000 0.92193175023570 35.453 > 6 7 Cl 0.64164449017714 0.75000000000000 0.42193175023570 35.453 > 7 8 Cl 0.35835550982286 0.25000000000000 0.57806824976430 35.453 > 8 *9 Pb 0.76287494449101 0.25000000000000 0.59526508576616 207.200 > 9 10 Pb 0.23712505550899 0.75000000000000 0.40473491423384 207.200 > 10 11 Pb 0.26287494449101 0.25000000000000 0.90473491423384 207.200 > 11 12 Pb 0.73712505550899 0.75000000000000 0.09526508576616 207.200 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.038232239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.433816339999996 0.000000000000000 c 0.000000000000000 0.000000000000000 18.078833579999998 Atomic positions (fractional): *1 Cl 0.49102008528354 0.08333333333333 0.16991603216673 35.453 > 1 2 Cl 0.99102008528354 0.08333333333333 0.16991603216673 35.453 > 1 3 Cl 0.49102008528354 0.41666666666667 0.16991603216673 35.453 > 1 4 Cl 0.99102008528354 0.41666666666667 0.16991603216673 35.453 > 1 5 Cl 0.49102008528354 0.75000000000000 0.16991603216673 35.453 > 1 6 Cl 0.99102008528354 0.75000000000000 0.16991603216673 35.453 > 1 7 Cl 0.49102008528354 0.08333333333333 0.66991603216673 35.453 > 1 8 Cl 0.99102008528354 0.08333333333333 0.66991603216673 35.453 > 1 9 Cl 0.49102008528354 0.41666666666667 0.66991603216673 35.453 > 1 10 Cl 0.99102008528354 0.41666666666667 0.66991603216673 35.453 > 1 11 Cl 0.49102008528354 0.75000000000000 0.66991603216673 35.453 > 1 12 Cl 0.99102008528354 0.75000000000000 0.66991603216673 35.453 > 1 13 Cl 0.00897991471646 0.25000000000000 0.33008396783327 35.453 > 2 14 Cl 0.50897991471646 0.25000000000000 0.33008396783327 35.453 > 2 15 Cl 0.00897991471646 0.58333333333333 0.33008396783327 35.453 > 2 16 Cl 0.50897991471646 0.58333333333333 0.33008396783327 35.453 > 2 17 Cl 0.00897991471646 0.91666666666667 0.33008396783327 35.453 > 2 18 Cl 0.50897991471646 0.91666666666667 0.33008396783327 35.453 > 2 19 Cl 0.00897991471646 0.25000000000000 0.83008396783327 35.453 > 2 20 Cl 0.50897991471646 0.25000000000000 0.83008396783327 35.453 > 2 21 Cl 0.00897991471646 0.58333333333333 0.83008396783327 35.453 > 2 22 Cl 0.50897991471646 0.58333333333333 0.83008396783327 35.453 > 2 23 Cl 0.00897991471646 0.91666666666667 0.83008396783327 35.453 > 2 24 Cl 0.50897991471646 0.91666666666667 0.83008396783327 35.453 > 2 25 Cl 0.24102008528354 0.08333333333333 0.08008396783327 35.453 > 3 26 Cl 0.74102008528354 0.08333333333333 0.08008396783327 35.453 > 3 27 Cl 0.24102008528354 0.41666666666667 0.08008396783327 35.453 > 3 28 Cl 0.74102008528354 0.41666666666667 0.08008396783327 35.453 > 3 29 Cl 0.24102008528354 0.75000000000000 0.08008396783327 35.453 > 3 30 Cl 0.74102008528354 0.75000000000000 0.08008396783327 35.453 > 3 31 Cl 0.24102008528354 0.08333333333333 0.58008396783327 35.453 > 3 32 Cl 0.74102008528354 0.08333333333333 0.58008396783327 35.453 > 3 33 Cl 0.24102008528354 0.41666666666667 0.58008396783327 35.453 > 3 34 Cl 0.74102008528354 0.41666666666667 0.58008396783327 35.453 > 3 35 Cl 0.24102008528354 0.75000000000000 0.58008396783327 35.453 > 3 36 Cl 0.74102008528354 0.75000000000000 0.58008396783327 35.453 > 3 37 Cl 0.25897991471646 0.25000000000000 0.41991603216673 35.453 > 4 38 Cl 0.75897991471646 0.25000000000000 0.41991603216673 35.453 > 4 39 Cl 0.25897991471646 0.58333333333333 0.41991603216673 35.453 > 4 40 Cl 0.75897991471646 0.58333333333333 0.41991603216673 35.453 > 4 41 Cl 0.25897991471646 0.91666666666667 0.41991603216673 35.453 > 4 42 Cl 0.75897991471646 0.91666666666667 0.41991603216673 35.453 > 4 43 Cl 0.25897991471646 0.25000000000000 0.91991603216673 35.453 > 4 44 Cl 0.75897991471646 0.25000000000000 0.91991603216673 35.453 > 4 45 Cl 0.25897991471646 0.58333333333333 0.91991603216673 35.453 > 4 46 Cl 0.75897991471646 0.58333333333333 0.91991603216673 35.453 > 4 47 Cl 0.25897991471646 0.91666666666667 0.91991603216673 35.453 > 4 48 Cl 0.75897991471646 0.91666666666667 0.91991603216673 35.453 > 4 *49 Cl 0.07082224508857 0.25000000000000 0.03903412488215 35.453 > 5 50 Cl 0.57082224508857 0.25000000000000 0.03903412488215 35.453 > 5 51 Cl 0.07082224508857 0.58333333333333 0.03903412488215 35.453 > 5 52 Cl 0.57082224508857 0.58333333333333 0.03903412488215 35.453 > 5 53 Cl 0.07082224508857 0.91666666666667 0.03903412488215 35.453 > 5 54 Cl 0.57082224508857 0.91666666666667 0.03903412488215 35.453 > 5 55 Cl 0.07082224508857 0.25000000000000 0.53903412488215 35.453 > 5 56 Cl 0.57082224508857 0.25000000000000 0.53903412488215 35.453 > 5 57 Cl 0.07082224508857 0.58333333333333 0.53903412488215 35.453 > 5 58 Cl 0.57082224508857 0.58333333333333 0.53903412488215 35.453 > 5 59 Cl 0.07082224508857 0.91666666666667 0.53903412488215 35.453 > 5 60 Cl 0.57082224508857 0.91666666666667 0.53903412488215 35.453 > 5 61 Cl 0.42917775491143 0.08333333333333 0.46096587511785 35.453 > 6 62 Cl 0.92917775491143 0.08333333333333 0.46096587511785 35.453 > 6 63 Cl 0.42917775491143 0.41666666666667 0.46096587511785 35.453 > 6 64 Cl 0.92917775491143 0.41666666666667 0.46096587511785 35.453 > 6 65 Cl 0.42917775491143 0.75000000000000 0.46096587511785 35.453 > 6 66 Cl 0.92917775491143 0.75000000000000 0.46096587511785 35.453 > 6 67 Cl 0.42917775491143 0.08333333333333 0.96096587511785 35.453 > 6 68 Cl 0.92917775491143 0.08333333333333 0.96096587511785 35.453 > 6 69 Cl 0.42917775491143 0.41666666666667 0.96096587511785 35.453 > 6 70 Cl 0.92917775491143 0.41666666666667 0.96096587511785 35.453 > 6 71 Cl 0.42917775491143 0.75000000000000 0.96096587511785 35.453 > 6 72 Cl 0.92917775491143 0.75000000000000 0.96096587511785 35.453 > 6 73 Cl 0.32082224508857 0.25000000000000 0.21096587511785 35.453 > 7 74 Cl 0.82082224508857 0.25000000000000 0.21096587511785 35.453 > 7 75 Cl 0.32082224508857 0.58333333333333 0.21096587511785 35.453 > 7 76 Cl 0.82082224508857 0.58333333333333 0.21096587511785 35.453 > 7 77 Cl 0.32082224508857 0.91666666666667 0.21096587511785 35.453 > 7 78 Cl 0.82082224508857 0.91666666666667 0.21096587511785 35.453 > 7 79 Cl 0.32082224508857 0.25000000000000 0.71096587511785 35.453 > 7 80 Cl 0.82082224508857 0.25000000000000 0.71096587511785 35.453 > 7 81 Cl 0.32082224508857 0.58333333333333 0.71096587511785 35.453 > 7 82 Cl 0.82082224508857 0.58333333333333 0.71096587511785 35.453 > 7 83 Cl 0.32082224508857 0.91666666666667 0.71096587511785 35.453 > 7 84 Cl 0.82082224508857 0.91666666666667 0.71096587511785 35.453 > 7 85 Cl 0.17917775491143 0.08333333333333 0.28903412488215 35.453 > 8 86 Cl 0.67917775491143 0.08333333333333 0.28903412488215 35.453 > 8 87 Cl 0.17917775491143 0.41666666666667 0.28903412488215 35.453 > 8 88 Cl 0.67917775491143 0.41666666666667 0.28903412488215 35.453 > 8 89 Cl 0.17917775491143 0.75000000000000 0.28903412488215 35.453 > 8 90 Cl 0.67917775491143 0.75000000000000 0.28903412488215 35.453 > 8 91 Cl 0.17917775491143 0.08333333333333 0.78903412488215 35.453 > 8 92 Cl 0.67917775491143 0.08333333333333 0.78903412488215 35.453 > 8 93 Cl 0.17917775491143 0.41666666666667 0.78903412488215 35.453 > 8 94 Cl 0.67917775491143 0.41666666666667 0.78903412488215 35.453 > 8 95 Cl 0.17917775491143 0.75000000000000 0.78903412488215 35.453 > 8 96 Cl 0.67917775491143 0.75000000000000 0.78903412488215 35.453 > 8 *97 Pb 0.38143747224551 0.08333333333333 0.29763254288308 207.200 > 9 98 Pb 0.88143747224551 0.08333333333333 0.29763254288308 207.200 > 9 99 Pb 0.38143747224551 0.41666666666667 0.29763254288308 207.200 > 9 100 Pb 0.88143747224551 0.41666666666667 0.29763254288308 207.200 > 9 101 Pb 0.38143747224551 0.75000000000000 0.29763254288308 207.200 > 9 102 Pb 0.88143747224551 0.75000000000000 0.29763254288308 207.200 > 9 103 Pb 0.38143747224551 0.08333333333333 0.79763254288308 207.200 > 9 104 Pb 0.88143747224551 0.08333333333333 0.79763254288308 207.200 > 9 105 Pb 0.38143747224551 0.41666666666667 0.79763254288308 207.200 > 9 106 Pb 0.88143747224551 0.41666666666667 0.79763254288308 207.200 > 9 107 Pb 0.38143747224551 0.75000000000000 0.79763254288308 207.200 > 9 108 Pb 0.88143747224551 0.75000000000000 0.79763254288308 207.200 > 9 109 Pb 0.11856252775449 0.25000000000000 0.20236745711692 207.200 > 10 110 Pb 0.61856252775449 0.25000000000000 0.20236745711692 207.200 > 10 111 Pb 0.11856252775449 0.58333333333333 0.20236745711692 207.200 > 10 112 Pb 0.61856252775449 0.58333333333333 0.20236745711692 207.200 > 10 113 Pb 0.11856252775449 0.91666666666667 0.20236745711692 207.200 > 10 114 Pb 0.61856252775449 0.91666666666667 0.20236745711692 207.200 > 10 115 Pb 0.11856252775449 0.25000000000000 0.70236745711692 207.200 > 10 116 Pb 0.61856252775449 0.25000000000000 0.70236745711692 207.200 > 10 117 Pb 0.11856252775449 0.58333333333333 0.70236745711692 207.200 > 10 118 Pb 0.61856252775449 0.58333333333333 0.70236745711692 207.200 > 10 119 Pb 0.11856252775449 0.91666666666667 0.70236745711692 207.200 > 10 120 Pb 0.61856252775449 0.91666666666667 0.70236745711692 207.200 > 10 121 Pb 0.13143747224551 0.08333333333333 0.45236745711692 207.200 > 11 122 Pb 0.63143747224551 0.08333333333333 0.45236745711692 207.200 > 11 123 Pb 0.13143747224551 0.41666666666667 0.45236745711692 207.200 > 11 124 Pb 0.63143747224551 0.41666666666667 0.45236745711692 207.200 > 11 125 Pb 0.13143747224551 0.75000000000000 0.45236745711692 207.200 > 11 126 Pb 0.63143747224551 0.75000000000000 0.45236745711692 207.200 > 11 127 Pb 0.13143747224551 0.08333333333333 0.95236745711692 207.200 > 11 128 Pb 0.63143747224551 0.08333333333333 0.95236745711692 207.200 > 11 129 Pb 0.13143747224551 0.41666666666667 0.95236745711692 207.200 > 11 130 Pb 0.63143747224551 0.41666666666667 0.95236745711692 207.200 > 11 131 Pb 0.13143747224551 0.75000000000000 0.95236745711692 207.200 > 11 132 Pb 0.63143747224551 0.75000000000000 0.95236745711692 207.200 > 11 133 Pb 0.36856252775449 0.25000000000000 0.04763254288308 207.200 > 12 134 Pb 0.86856252775449 0.25000000000000 0.04763254288308 207.200 > 12 135 Pb 0.36856252775449 0.58333333333333 0.04763254288308 207.200 > 12 136 Pb 0.86856252775449 0.58333333333333 0.04763254288308 207.200 > 12 137 Pb 0.36856252775449 0.91666666666667 0.04763254288308 207.200 > 12 138 Pb 0.86856252775449 0.91666666666667 0.04763254288308 207.200 > 12 139 Pb 0.36856252775449 0.25000000000000 0.54763254288308 207.200 > 12 140 Pb 0.86856252775449 0.25000000000000 0.54763254288308 207.200 > 12 141 Pb 0.36856252775449 0.58333333333333 0.54763254288308 207.200 > 12 142 Pb 0.86856252775449 0.58333333333333 0.54763254288308 207.200 > 12 143 Pb 0.36856252775449 0.91666666666667 0.54763254288308 207.200 > 12 144 Pb 0.86856252775449 0.91666666666667 0.54763254288308 207.200 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2470560 0.0000000 0.0000000 0.0000000 5.3901112 0.0000000 0.0000000 0.0000000 5.0898732 -------------------------- Born effective charges -------------------------- 1 Cl -1.8805070 0.0000000 0.2606113 0.0000000 -1.8729249 0.0000000 0.1003783 0.0000000 -1.5353498 2 Cl -1.8805070 0.0000000 0.2606113 0.0000000 -1.8729249 0.0000000 0.1003783 0.0000000 -1.5353498 3 Cl -1.8805070 0.0000000 -0.2606113 0.0000000 -1.8729249 0.0000000 -0.1003783 0.0000000 -1.5353498 4 Cl -1.8805070 0.0000000 -0.2606113 0.0000000 -1.8729249 0.0000000 -0.1003783 0.0000000 -1.5353498 5 Cl -1.7051214 0.0000000 0.3594829 0.0000000 -1.8894160 0.0000000 0.1330935 0.0000000 -1.8612657 6 Cl -1.7051214 0.0000000 0.3594829 0.0000000 -1.8894160 0.0000000 0.1330935 0.0000000 -1.8612657 7 Cl -1.7051214 0.0000000 -0.3594829 0.0000000 -1.8894160 0.0000000 -0.1330935 0.0000000 -1.8612657 8 Cl -1.7051214 0.0000000 -0.3594829 0.0000000 -1.8894160 0.0000000 -0.1330935 0.0000000 -1.8612657 9 Pb 3.5856284 0.0000000 0.0145989 0.0000000 3.7623409 0.0000000 0.0706232 0.0000000 3.3966155 10 Pb 3.5856284 0.0000000 0.0145989 0.0000000 3.7623409 0.0000000 0.0706232 0.0000000 3.3966155 11 Pb 3.5856284 0.0000000 -0.0145989 0.0000000 3.7623409 0.0000000 -0.0706232 0.0000000 3.3966155 12 Pb 3.5856284 0.0000000 -0.0145989 0.0000000 3.7623409 0.0000000 -0.0706232 0.0000000 3.3966155 ---------------------------------------------------------------------------- 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: 1.606 Solver_block: 200 / 240 - Time: 1.551 Solver_block: 240 / 240 - Time: 0.692 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.873 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:23:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:23:07]------------------------- 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 7.519116120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.477938779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.039416789999999 Atomic positions (fractional): 1 Cl 0.98204017056709 0.25000000000000 0.33983206433346 35.453 2 Cl 0.01795982943291 0.75000000000000 0.66016793566654 35.453 3 Cl 0.48204017056709 0.25000000000000 0.16016793566654 35.453 4 Cl 0.51795982943291 0.75000000000000 0.83983206433346 35.453 5 Cl 0.14164449017714 0.75000000000000 0.07806824976430 35.453 6 Cl 0.85835550982286 0.25000000000000 0.92193175023570 35.453 7 Cl 0.64164449017714 0.75000000000000 0.42193175023570 35.453 8 Cl 0.35835550982286 0.25000000000000 0.57806824976430 35.453 9 Pb 0.76287494449101 0.25000000000000 0.59526508576616 207.200 10 Pb 0.23712505550899 0.75000000000000 0.40473491423384 207.200 11 Pb 0.26287494449101 0.25000000000000 0.90473491423384 207.200 12 Pb 0.73712505550899 0.75000000000000 0.09526508576616 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.038232239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.433816339999996 0.000000000000000 c 0.000000000000000 0.000000000000000 18.078833579999998 Atomic positions (fractional): 1 Cl 0.49102008528354 0.08333333333333 0.16991603216673 35.453 > 1 2 Cl 0.99102008528354 0.08333333333333 0.16991603216673 35.453 > 1 3 Cl 0.49102008528354 0.41666666666667 0.16991603216673 35.453 > 1 4 Cl 0.99102008528354 0.41666666666667 0.16991603216673 35.453 > 1 5 Cl 0.49102008528354 0.75000000000000 0.16991603216673 35.453 > 1 6 Cl 0.99102008528354 0.75000000000000 0.16991603216673 35.453 > 1 7 Cl 0.49102008528354 0.08333333333333 0.66991603216673 35.453 > 1 8 Cl 0.99102008528354 0.08333333333333 0.66991603216673 35.453 > 1 9 Cl 0.49102008528354 0.41666666666667 0.66991603216673 35.453 > 1 10 Cl 0.99102008528354 0.41666666666667 0.66991603216673 35.453 > 1 11 Cl 0.49102008528354 0.75000000000000 0.66991603216673 35.453 > 1 12 Cl 0.99102008528354 0.75000000000000 0.66991603216673 35.453 > 1 13 Cl 0.00897991471646 0.25000000000000 0.33008396783327 35.453 > 13 14 Cl 0.50897991471646 0.25000000000000 0.33008396783327 35.453 > 13 15 Cl 0.00897991471646 0.58333333333333 0.33008396783327 35.453 > 13 16 Cl 0.50897991471646 0.58333333333333 0.33008396783327 35.453 > 13 17 Cl 0.00897991471646 0.91666666666667 0.33008396783327 35.453 > 13 18 Cl 0.50897991471646 0.91666666666667 0.33008396783327 35.453 > 13 19 Cl 0.00897991471646 0.25000000000000 0.83008396783327 35.453 > 13 20 Cl 0.50897991471646 0.25000000000000 0.83008396783327 35.453 > 13 21 Cl 0.00897991471646 0.58333333333333 0.83008396783327 35.453 > 13 22 Cl 0.50897991471646 0.58333333333333 0.83008396783327 35.453 > 13 23 Cl 0.00897991471646 0.91666666666667 0.83008396783327 35.453 > 13 24 Cl 0.50897991471646 0.91666666666667 0.83008396783327 35.453 > 13 25 Cl 0.24102008528354 0.08333333333333 0.08008396783327 35.453 > 25 26 Cl 0.74102008528354 0.08333333333333 0.08008396783327 35.453 > 25 27 Cl 0.24102008528354 0.41666666666667 0.08008396783327 35.453 > 25 28 Cl 0.74102008528354 0.41666666666667 0.08008396783327 35.453 > 25 29 Cl 0.24102008528354 0.75000000000000 0.08008396783327 35.453 > 25 30 Cl 0.74102008528354 0.75000000000000 0.08008396783327 35.453 > 25 31 Cl 0.24102008528354 0.08333333333333 0.58008396783327 35.453 > 25 32 Cl 0.74102008528354 0.08333333333333 0.58008396783327 35.453 > 25 33 Cl 0.24102008528354 0.41666666666667 0.58008396783327 35.453 > 25 34 Cl 0.74102008528354 0.41666666666667 0.58008396783327 35.453 > 25 35 Cl 0.24102008528354 0.75000000000000 0.58008396783327 35.453 > 25 36 Cl 0.74102008528354 0.75000000000000 0.58008396783327 35.453 > 25 37 Cl 0.25897991471646 0.25000000000000 0.41991603216673 35.453 > 37 38 Cl 0.75897991471646 0.25000000000000 0.41991603216673 35.453 > 37 39 Cl 0.25897991471646 0.58333333333333 0.41991603216673 35.453 > 37 40 Cl 0.75897991471646 0.58333333333333 0.41991603216673 35.453 > 37 41 Cl 0.25897991471646 0.91666666666667 0.41991603216673 35.453 > 37 42 Cl 0.75897991471646 0.91666666666667 0.41991603216673 35.453 > 37 43 Cl 0.25897991471646 0.25000000000000 0.91991603216673 35.453 > 37 44 Cl 0.75897991471646 0.25000000000000 0.91991603216673 35.453 > 37 45 Cl 0.25897991471646 0.58333333333333 0.91991603216673 35.453 > 37 46 Cl 0.75897991471646 0.58333333333333 0.91991603216673 35.453 > 37 47 Cl 0.25897991471646 0.91666666666667 0.91991603216673 35.453 > 37 48 Cl 0.75897991471646 0.91666666666667 0.91991603216673 35.453 > 37 49 Cl 0.07082224508857 0.25000000000000 0.03903412488215 35.453 > 49 50 Cl 0.57082224508857 0.25000000000000 0.03903412488215 35.453 > 49 51 Cl 0.07082224508857 0.58333333333333 0.03903412488215 35.453 > 49 52 Cl 0.57082224508857 0.58333333333333 0.03903412488215 35.453 > 49 53 Cl 0.07082224508857 0.91666666666667 0.03903412488215 35.453 > 49 54 Cl 0.57082224508857 0.91666666666667 0.03903412488215 35.453 > 49 55 Cl 0.07082224508857 0.25000000000000 0.53903412488215 35.453 > 49 56 Cl 0.57082224508857 0.25000000000000 0.53903412488215 35.453 > 49 57 Cl 0.07082224508857 0.58333333333333 0.53903412488215 35.453 > 49 58 Cl 0.57082224508857 0.58333333333333 0.53903412488215 35.453 > 49 59 Cl 0.07082224508857 0.91666666666667 0.53903412488215 35.453 > 49 60 Cl 0.57082224508857 0.91666666666667 0.53903412488215 35.453 > 49 61 Cl 0.42917775491143 0.08333333333333 0.46096587511785 35.453 > 61 62 Cl 0.92917775491143 0.08333333333333 0.46096587511785 35.453 > 61 63 Cl 0.42917775491143 0.41666666666667 0.46096587511785 35.453 > 61 64 Cl 0.92917775491143 0.41666666666667 0.46096587511785 35.453 > 61 65 Cl 0.42917775491143 0.75000000000000 0.46096587511785 35.453 > 61 66 Cl 0.92917775491143 0.75000000000000 0.46096587511785 35.453 > 61 67 Cl 0.42917775491143 0.08333333333333 0.96096587511785 35.453 > 61 68 Cl 0.92917775491143 0.08333333333333 0.96096587511785 35.453 > 61 69 Cl 0.42917775491143 0.41666666666667 0.96096587511785 35.453 > 61 70 Cl 0.92917775491143 0.41666666666667 0.96096587511785 35.453 > 61 71 Cl 0.42917775491143 0.75000000000000 0.96096587511785 35.453 > 61 72 Cl 0.92917775491143 0.75000000000000 0.96096587511785 35.453 > 61 73 Cl 0.32082224508857 0.25000000000000 0.21096587511785 35.453 > 73 74 Cl 0.82082224508857 0.25000000000000 0.21096587511785 35.453 > 73 75 Cl 0.32082224508857 0.58333333333333 0.21096587511785 35.453 > 73 76 Cl 0.82082224508857 0.58333333333333 0.21096587511785 35.453 > 73 77 Cl 0.32082224508857 0.91666666666667 0.21096587511785 35.453 > 73 78 Cl 0.82082224508857 0.91666666666667 0.21096587511785 35.453 > 73 79 Cl 0.32082224508857 0.25000000000000 0.71096587511785 35.453 > 73 80 Cl 0.82082224508857 0.25000000000000 0.71096587511785 35.453 > 73 81 Cl 0.32082224508857 0.58333333333333 0.71096587511785 35.453 > 73 82 Cl 0.82082224508857 0.58333333333333 0.71096587511785 35.453 > 73 83 Cl 0.32082224508857 0.91666666666667 0.71096587511785 35.453 > 73 84 Cl 0.82082224508857 0.91666666666667 0.71096587511785 35.453 > 73 85 Cl 0.17917775491143 0.08333333333333 0.28903412488215 35.453 > 85 86 Cl 0.67917775491143 0.08333333333333 0.28903412488215 35.453 > 85 87 Cl 0.17917775491143 0.41666666666667 0.28903412488215 35.453 > 85 88 Cl 0.67917775491143 0.41666666666667 0.28903412488215 35.453 > 85 89 Cl 0.17917775491143 0.75000000000000 0.28903412488215 35.453 > 85 90 Cl 0.67917775491143 0.75000000000000 0.28903412488215 35.453 > 85 91 Cl 0.17917775491143 0.08333333333333 0.78903412488215 35.453 > 85 92 Cl 0.67917775491143 0.08333333333333 0.78903412488215 35.453 > 85 93 Cl 0.17917775491143 0.41666666666667 0.78903412488215 35.453 > 85 94 Cl 0.67917775491143 0.41666666666667 0.78903412488215 35.453 > 85 95 Cl 0.17917775491143 0.75000000000000 0.78903412488215 35.453 > 85 96 Cl 0.67917775491143 0.75000000000000 0.78903412488215 35.453 > 85 97 Pb 0.38143747224551 0.08333333333333 0.29763254288308 207.200 > 97 98 Pb 0.88143747224551 0.08333333333333 0.29763254288308 207.200 > 97 99 Pb 0.38143747224551 0.41666666666667 0.29763254288308 207.200 > 97 100 Pb 0.88143747224551 0.41666666666667 0.29763254288308 207.200 > 97 101 Pb 0.38143747224551 0.75000000000000 0.29763254288308 207.200 > 97 102 Pb 0.88143747224551 0.75000000000000 0.29763254288308 207.200 > 97 103 Pb 0.38143747224551 0.08333333333333 0.79763254288308 207.200 > 97 104 Pb 0.88143747224551 0.08333333333333 0.79763254288308 207.200 > 97 105 Pb 0.38143747224551 0.41666666666667 0.79763254288308 207.200 > 97 106 Pb 0.88143747224551 0.41666666666667 0.79763254288308 207.200 > 97 107 Pb 0.38143747224551 0.75000000000000 0.79763254288308 207.200 > 97 108 Pb 0.88143747224551 0.75000000000000 0.79763254288308 207.200 > 97 109 Pb 0.11856252775449 0.25000000000000 0.20236745711692 207.200 > 109 110 Pb 0.61856252775449 0.25000000000000 0.20236745711692 207.200 > 109 111 Pb 0.11856252775449 0.58333333333333 0.20236745711692 207.200 > 109 112 Pb 0.61856252775449 0.58333333333333 0.20236745711692 207.200 > 109 113 Pb 0.11856252775449 0.91666666666667 0.20236745711692 207.200 > 109 114 Pb 0.61856252775449 0.91666666666667 0.20236745711692 207.200 > 109 115 Pb 0.11856252775449 0.25000000000000 0.70236745711692 207.200 > 109 116 Pb 0.61856252775449 0.25000000000000 0.70236745711692 207.200 > 109 117 Pb 0.11856252775449 0.58333333333333 0.70236745711692 207.200 > 109 118 Pb 0.61856252775449 0.58333333333333 0.70236745711692 207.200 > 109 119 Pb 0.11856252775449 0.91666666666667 0.70236745711692 207.200 > 109 120 Pb 0.61856252775449 0.91666666666667 0.70236745711692 207.200 > 109 121 Pb 0.13143747224551 0.08333333333333 0.45236745711692 207.200 > 121 122 Pb 0.63143747224551 0.08333333333333 0.45236745711692 207.200 > 121 123 Pb 0.13143747224551 0.41666666666667 0.45236745711692 207.200 > 121 124 Pb 0.63143747224551 0.41666666666667 0.45236745711692 207.200 > 121 125 Pb 0.13143747224551 0.75000000000000 0.45236745711692 207.200 > 121 126 Pb 0.63143747224551 0.75000000000000 0.45236745711692 207.200 > 121 127 Pb 0.13143747224551 0.08333333333333 0.95236745711692 207.200 > 121 128 Pb 0.63143747224551 0.08333333333333 0.95236745711692 207.200 > 121 129 Pb 0.13143747224551 0.41666666666667 0.95236745711692 207.200 > 121 130 Pb 0.63143747224551 0.41666666666667 0.95236745711692 207.200 > 121 131 Pb 0.13143747224551 0.75000000000000 0.95236745711692 207.200 > 121 132 Pb 0.63143747224551 0.75000000000000 0.95236745711692 207.200 > 121 133 Pb 0.36856252775449 0.25000000000000 0.04763254288308 207.200 > 133 134 Pb 0.86856252775449 0.25000000000000 0.04763254288308 207.200 > 133 135 Pb 0.36856252775449 0.58333333333333 0.04763254288308 207.200 > 133 136 Pb 0.86856252775449 0.58333333333333 0.04763254288308 207.200 > 133 137 Pb 0.36856252775449 0.91666666666667 0.04763254288308 207.200 > 133 138 Pb 0.86856252775449 0.91666666666667 0.04763254288308 207.200 > 133 139 Pb 0.36856252775449 0.25000000000000 0.54763254288308 207.200 > 133 140 Pb 0.86856252775449 0.25000000000000 0.54763254288308 207.200 > 133 141 Pb 0.36856252775449 0.58333333333333 0.54763254288308 207.200 > 133 142 Pb 0.86856252775449 0.58333333333333 0.54763254288308 207.200 > 133 143 Pb 0.36856252775449 0.91666666666667 0.54763254288308 207.200 > 133 144 Pb 0.86856252775449 0.91666666666667 0.54763254288308 207.200 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2470560 0.0000000 0.0000000 0.0000000 5.3901112 0.0000000 0.0000000 0.0000000 5.0898732 -------------------------- Born effective charges -------------------------- 1 Cl -1.8805070 0.0000000 0.2606113 0.0000000 -1.8729249 0.0000000 0.1003783 0.0000000 -1.5353498 2 Cl -1.8805070 0.0000000 0.2606113 0.0000000 -1.8729249 0.0000000 0.1003783 0.0000000 -1.5353498 3 Cl -1.8805070 0.0000000 -0.2606113 0.0000000 -1.8729249 0.0000000 -0.1003783 0.0000000 -1.5353498 4 Cl -1.8805070 0.0000000 -0.2606113 0.0000000 -1.8729249 0.0000000 -0.1003783 0.0000000 -1.5353498 5 Cl -1.7051214 0.0000000 0.3594829 0.0000000 -1.8894160 0.0000000 0.1330935 0.0000000 -1.8612657 6 Cl -1.7051214 0.0000000 0.3594829 0.0000000 -1.8894160 0.0000000 0.1330935 0.0000000 -1.8612657 7 Cl -1.7051214 0.0000000 -0.3594829 0.0000000 -1.8894160 0.0000000 -0.1330935 0.0000000 -1.8612657 8 Cl -1.7051214 0.0000000 -0.3594829 0.0000000 -1.8894160 0.0000000 -0.1330935 0.0000000 -1.8612657 9 Pb 3.5856284 0.0000000 0.0145989 0.0000000 3.7623409 0.0000000 0.0706232 0.0000000 3.3966155 10 Pb 3.5856284 0.0000000 0.0145989 0.0000000 3.7623409 0.0000000 0.0706232 0.0000000 3.3966155 11 Pb 3.5856284 0.0000000 -0.0145989 0.0000000 3.7623409 0.0000000 -0.0706232 0.0000000 3.3966155 12 Pb 3.5856284 0.0000000 -0.0145989 0.0000000 3.7623409 0.0000000 -0.0706232 0.0000000 3.3966155 ---------------------------------------------------------------------------- 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:23:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:23:23]------------------------- 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 7.519116120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.477938779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.039416789999999 Atomic positions (fractional): 1 Cl 0.98204017056709 0.25000000000000 0.33983206433346 35.453 2 Cl 0.01795982943291 0.75000000000000 0.66016793566654 35.453 3 Cl 0.48204017056709 0.25000000000000 0.16016793566654 35.453 4 Cl 0.51795982943291 0.75000000000000 0.83983206433346 35.453 5 Cl 0.14164449017714 0.75000000000000 0.07806824976430 35.453 6 Cl 0.85835550982286 0.25000000000000 0.92193175023570 35.453 7 Cl 0.64164449017714 0.75000000000000 0.42193175023570 35.453 8 Cl 0.35835550982286 0.25000000000000 0.57806824976430 35.453 9 Pb 0.76287494449101 0.25000000000000 0.59526508576616 207.200 10 Pb 0.23712505550899 0.75000000000000 0.40473491423384 207.200 11 Pb 0.26287494449101 0.25000000000000 0.90473491423384 207.200 12 Pb 0.73712505550899 0.75000000000000 0.09526508576616 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.038232239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.433816339999996 0.000000000000000 c 0.000000000000000 0.000000000000000 18.078833579999998 Atomic positions (fractional): 1 Cl 0.49102008528354 0.08333333333333 0.16991603216673 35.453 > 1 2 Cl 0.99102008528354 0.08333333333333 0.16991603216673 35.453 > 1 3 Cl 0.49102008528354 0.41666666666667 0.16991603216673 35.453 > 1 4 Cl 0.99102008528354 0.41666666666667 0.16991603216673 35.453 > 1 5 Cl 0.49102008528354 0.75000000000000 0.16991603216673 35.453 > 1 6 Cl 0.99102008528354 0.75000000000000 0.16991603216673 35.453 > 1 7 Cl 0.49102008528354 0.08333333333333 0.66991603216673 35.453 > 1 8 Cl 0.99102008528354 0.08333333333333 0.66991603216673 35.453 > 1 9 Cl 0.49102008528354 0.41666666666667 0.66991603216673 35.453 > 1 10 Cl 0.99102008528354 0.41666666666667 0.66991603216673 35.453 > 1 11 Cl 0.49102008528354 0.75000000000000 0.66991603216673 35.453 > 1 12 Cl 0.99102008528354 0.75000000000000 0.66991603216673 35.453 > 1 13 Cl 0.00897991471646 0.25000000000000 0.33008396783327 35.453 > 13 14 Cl 0.50897991471646 0.25000000000000 0.33008396783327 35.453 > 13 15 Cl 0.00897991471646 0.58333333333333 0.33008396783327 35.453 > 13 16 Cl 0.50897991471646 0.58333333333333 0.33008396783327 35.453 > 13 17 Cl 0.00897991471646 0.91666666666667 0.33008396783327 35.453 > 13 18 Cl 0.50897991471646 0.91666666666667 0.33008396783327 35.453 > 13 19 Cl 0.00897991471646 0.25000000000000 0.83008396783327 35.453 > 13 20 Cl 0.50897991471646 0.25000000000000 0.83008396783327 35.453 > 13 21 Cl 0.00897991471646 0.58333333333333 0.83008396783327 35.453 > 13 22 Cl 0.50897991471646 0.58333333333333 0.83008396783327 35.453 > 13 23 Cl 0.00897991471646 0.91666666666667 0.83008396783327 35.453 > 13 24 Cl 0.50897991471646 0.91666666666667 0.83008396783327 35.453 > 13 25 Cl 0.24102008528354 0.08333333333333 0.08008396783327 35.453 > 25 26 Cl 0.74102008528354 0.08333333333333 0.08008396783327 35.453 > 25 27 Cl 0.24102008528354 0.41666666666667 0.08008396783327 35.453 > 25 28 Cl 0.74102008528354 0.41666666666667 0.08008396783327 35.453 > 25 29 Cl 0.24102008528354 0.75000000000000 0.08008396783327 35.453 > 25 30 Cl 0.74102008528354 0.75000000000000 0.08008396783327 35.453 > 25 31 Cl 0.24102008528354 0.08333333333333 0.58008396783327 35.453 > 25 32 Cl 0.74102008528354 0.08333333333333 0.58008396783327 35.453 > 25 33 Cl 0.24102008528354 0.41666666666667 0.58008396783327 35.453 > 25 34 Cl 0.74102008528354 0.41666666666667 0.58008396783327 35.453 > 25 35 Cl 0.24102008528354 0.75000000000000 0.58008396783327 35.453 > 25 36 Cl 0.74102008528354 0.75000000000000 0.58008396783327 35.453 > 25 37 Cl 0.25897991471646 0.25000000000000 0.41991603216673 35.453 > 37 38 Cl 0.75897991471646 0.25000000000000 0.41991603216673 35.453 > 37 39 Cl 0.25897991471646 0.58333333333333 0.41991603216673 35.453 > 37 40 Cl 0.75897991471646 0.58333333333333 0.41991603216673 35.453 > 37 41 Cl 0.25897991471646 0.91666666666667 0.41991603216673 35.453 > 37 42 Cl 0.75897991471646 0.91666666666667 0.41991603216673 35.453 > 37 43 Cl 0.25897991471646 0.25000000000000 0.91991603216673 35.453 > 37 44 Cl 0.75897991471646 0.25000000000000 0.91991603216673 35.453 > 37 45 Cl 0.25897991471646 0.58333333333333 0.91991603216673 35.453 > 37 46 Cl 0.75897991471646 0.58333333333333 0.91991603216673 35.453 > 37 47 Cl 0.25897991471646 0.91666666666667 0.91991603216673 35.453 > 37 48 Cl 0.75897991471646 0.91666666666667 0.91991603216673 35.453 > 37 49 Cl 0.07082224508857 0.25000000000000 0.03903412488215 35.453 > 49 50 Cl 0.57082224508857 0.25000000000000 0.03903412488215 35.453 > 49 51 Cl 0.07082224508857 0.58333333333333 0.03903412488215 35.453 > 49 52 Cl 0.57082224508857 0.58333333333333 0.03903412488215 35.453 > 49 53 Cl 0.07082224508857 0.91666666666667 0.03903412488215 35.453 > 49 54 Cl 0.57082224508857 0.91666666666667 0.03903412488215 35.453 > 49 55 Cl 0.07082224508857 0.25000000000000 0.53903412488215 35.453 > 49 56 Cl 0.57082224508857 0.25000000000000 0.53903412488215 35.453 > 49 57 Cl 0.07082224508857 0.58333333333333 0.53903412488215 35.453 > 49 58 Cl 0.57082224508857 0.58333333333333 0.53903412488215 35.453 > 49 59 Cl 0.07082224508857 0.91666666666667 0.53903412488215 35.453 > 49 60 Cl 0.57082224508857 0.91666666666667 0.53903412488215 35.453 > 49 61 Cl 0.42917775491143 0.08333333333333 0.46096587511785 35.453 > 61 62 Cl 0.92917775491143 0.08333333333333 0.46096587511785 35.453 > 61 63 Cl 0.42917775491143 0.41666666666667 0.46096587511785 35.453 > 61 64 Cl 0.92917775491143 0.41666666666667 0.46096587511785 35.453 > 61 65 Cl 0.42917775491143 0.75000000000000 0.46096587511785 35.453 > 61 66 Cl 0.92917775491143 0.75000000000000 0.46096587511785 35.453 > 61 67 Cl 0.42917775491143 0.08333333333333 0.96096587511785 35.453 > 61 68 Cl 0.92917775491143 0.08333333333333 0.96096587511785 35.453 > 61 69 Cl 0.42917775491143 0.41666666666667 0.96096587511785 35.453 > 61 70 Cl 0.92917775491143 0.41666666666667 0.96096587511785 35.453 > 61 71 Cl 0.42917775491143 0.75000000000000 0.96096587511785 35.453 > 61 72 Cl 0.92917775491143 0.75000000000000 0.96096587511785 35.453 > 61 73 Cl 0.32082224508857 0.25000000000000 0.21096587511785 35.453 > 73 74 Cl 0.82082224508857 0.25000000000000 0.21096587511785 35.453 > 73 75 Cl 0.32082224508857 0.58333333333333 0.21096587511785 35.453 > 73 76 Cl 0.82082224508857 0.58333333333333 0.21096587511785 35.453 > 73 77 Cl 0.32082224508857 0.91666666666667 0.21096587511785 35.453 > 73 78 Cl 0.82082224508857 0.91666666666667 0.21096587511785 35.453 > 73 79 Cl 0.32082224508857 0.25000000000000 0.71096587511785 35.453 > 73 80 Cl 0.82082224508857 0.25000000000000 0.71096587511785 35.453 > 73 81 Cl 0.32082224508857 0.58333333333333 0.71096587511785 35.453 > 73 82 Cl 0.82082224508857 0.58333333333333 0.71096587511785 35.453 > 73 83 Cl 0.32082224508857 0.91666666666667 0.71096587511785 35.453 > 73 84 Cl 0.82082224508857 0.91666666666667 0.71096587511785 35.453 > 73 85 Cl 0.17917775491143 0.08333333333333 0.28903412488215 35.453 > 85 86 Cl 0.67917775491143 0.08333333333333 0.28903412488215 35.453 > 85 87 Cl 0.17917775491143 0.41666666666667 0.28903412488215 35.453 > 85 88 Cl 0.67917775491143 0.41666666666667 0.28903412488215 35.453 > 85 89 Cl 0.17917775491143 0.75000000000000 0.28903412488215 35.453 > 85 90 Cl 0.67917775491143 0.75000000000000 0.28903412488215 35.453 > 85 91 Cl 0.17917775491143 0.08333333333333 0.78903412488215 35.453 > 85 92 Cl 0.67917775491143 0.08333333333333 0.78903412488215 35.453 > 85 93 Cl 0.17917775491143 0.41666666666667 0.78903412488215 35.453 > 85 94 Cl 0.67917775491143 0.41666666666667 0.78903412488215 35.453 > 85 95 Cl 0.17917775491143 0.75000000000000 0.78903412488215 35.453 > 85 96 Cl 0.67917775491143 0.75000000000000 0.78903412488215 35.453 > 85 97 Pb 0.38143747224551 0.08333333333333 0.29763254288308 207.200 > 97 98 Pb 0.88143747224551 0.08333333333333 0.29763254288308 207.200 > 97 99 Pb 0.38143747224551 0.41666666666667 0.29763254288308 207.200 > 97 100 Pb 0.88143747224551 0.41666666666667 0.29763254288308 207.200 > 97 101 Pb 0.38143747224551 0.75000000000000 0.29763254288308 207.200 > 97 102 Pb 0.88143747224551 0.75000000000000 0.29763254288308 207.200 > 97 103 Pb 0.38143747224551 0.08333333333333 0.79763254288308 207.200 > 97 104 Pb 0.88143747224551 0.08333333333333 0.79763254288308 207.200 > 97 105 Pb 0.38143747224551 0.41666666666667 0.79763254288308 207.200 > 97 106 Pb 0.88143747224551 0.41666666666667 0.79763254288308 207.200 > 97 107 Pb 0.38143747224551 0.75000000000000 0.79763254288308 207.200 > 97 108 Pb 0.88143747224551 0.75000000000000 0.79763254288308 207.200 > 97 109 Pb 0.11856252775449 0.25000000000000 0.20236745711692 207.200 > 109 110 Pb 0.61856252775449 0.25000000000000 0.20236745711692 207.200 > 109 111 Pb 0.11856252775449 0.58333333333333 0.20236745711692 207.200 > 109 112 Pb 0.61856252775449 0.58333333333333 0.20236745711692 207.200 > 109 113 Pb 0.11856252775449 0.91666666666667 0.20236745711692 207.200 > 109 114 Pb 0.61856252775449 0.91666666666667 0.20236745711692 207.200 > 109 115 Pb 0.11856252775449 0.25000000000000 0.70236745711692 207.200 > 109 116 Pb 0.61856252775449 0.25000000000000 0.70236745711692 207.200 > 109 117 Pb 0.11856252775449 0.58333333333333 0.70236745711692 207.200 > 109 118 Pb 0.61856252775449 0.58333333333333 0.70236745711692 207.200 > 109 119 Pb 0.11856252775449 0.91666666666667 0.70236745711692 207.200 > 109 120 Pb 0.61856252775449 0.91666666666667 0.70236745711692 207.200 > 109 121 Pb 0.13143747224551 0.08333333333333 0.45236745711692 207.200 > 121 122 Pb 0.63143747224551 0.08333333333333 0.45236745711692 207.200 > 121 123 Pb 0.13143747224551 0.41666666666667 0.45236745711692 207.200 > 121 124 Pb 0.63143747224551 0.41666666666667 0.45236745711692 207.200 > 121 125 Pb 0.13143747224551 0.75000000000000 0.45236745711692 207.200 > 121 126 Pb 0.63143747224551 0.75000000000000 0.45236745711692 207.200 > 121 127 Pb 0.13143747224551 0.08333333333333 0.95236745711692 207.200 > 121 128 Pb 0.63143747224551 0.08333333333333 0.95236745711692 207.200 > 121 129 Pb 0.13143747224551 0.41666666666667 0.95236745711692 207.200 > 121 130 Pb 0.63143747224551 0.41666666666667 0.95236745711692 207.200 > 121 131 Pb 0.13143747224551 0.75000000000000 0.95236745711692 207.200 > 121 132 Pb 0.63143747224551 0.75000000000000 0.95236745711692 207.200 > 121 133 Pb 0.36856252775449 0.25000000000000 0.04763254288308 207.200 > 133 134 Pb 0.86856252775449 0.25000000000000 0.04763254288308 207.200 > 133 135 Pb 0.36856252775449 0.58333333333333 0.04763254288308 207.200 > 133 136 Pb 0.86856252775449 0.58333333333333 0.04763254288308 207.200 > 133 137 Pb 0.36856252775449 0.91666666666667 0.04763254288308 207.200 > 133 138 Pb 0.86856252775449 0.91666666666667 0.04763254288308 207.200 > 133 139 Pb 0.36856252775449 0.25000000000000 0.54763254288308 207.200 > 133 140 Pb 0.86856252775449 0.25000000000000 0.54763254288308 207.200 > 133 141 Pb 0.36856252775449 0.58333333333333 0.54763254288308 207.200 > 133 142 Pb 0.86856252775449 0.58333333333333 0.54763254288308 207.200 > 133 143 Pb 0.36856252775449 0.91666666666667 0.54763254288308 207.200 > 133 144 Pb 0.86856252775449 0.91666666666667 0.54763254288308 207.200 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2470560 0.0000000 0.0000000 0.0000000 5.3901112 0.0000000 0.0000000 0.0000000 5.0898732 -------------------------- Born effective charges -------------------------- 1 Cl -1.8805070 0.0000000 0.2606113 0.0000000 -1.8729249 0.0000000 0.1003783 0.0000000 -1.5353498 2 Cl -1.8805070 0.0000000 0.2606113 0.0000000 -1.8729249 0.0000000 0.1003783 0.0000000 -1.5353498 3 Cl -1.8805070 0.0000000 -0.2606113 0.0000000 -1.8729249 0.0000000 -0.1003783 0.0000000 -1.5353498 4 Cl -1.8805070 0.0000000 -0.2606113 0.0000000 -1.8729249 0.0000000 -0.1003783 0.0000000 -1.5353498 5 Cl -1.7051214 0.0000000 0.3594829 0.0000000 -1.8894160 0.0000000 0.1330935 0.0000000 -1.8612657 6 Cl -1.7051214 0.0000000 0.3594829 0.0000000 -1.8894160 0.0000000 0.1330935 0.0000000 -1.8612657 7 Cl -1.7051214 0.0000000 -0.3594829 0.0000000 -1.8894160 0.0000000 -0.1330935 0.0000000 -1.8612657 8 Cl -1.7051214 0.0000000 -0.3594829 0.0000000 -1.8894160 0.0000000 -0.1330935 0.0000000 -1.8612657 9 Pb 3.5856284 0.0000000 0.0145989 0.0000000 3.7623409 0.0000000 0.0706232 0.0000000 3.3966155 10 Pb 3.5856284 0.0000000 0.0145989 0.0000000 3.7623409 0.0000000 0.0706232 0.0000000 3.3966155 11 Pb 3.5856284 0.0000000 -0.0145989 0.0000000 3.7623409 0.0000000 -0.0706232 0.0000000 3.3966155 12 Pb 3.5856284 0.0000000 -0.0145989 0.0000000 3.7623409 0.0000000 -0.0706232 0.0000000 3.3966155 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 11 6 ] 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: 0.62, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.098 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( 8.669 0.000 0.000) 8.669 0.358 ( 17.446 0.000 0.000) 17.446 0.511 ( 25.075 0.000 0.000) 25.075 0.770 ( 2.012 0.000 0.000) 2.012 0.829 ( 7.166 0.000 0.000) 7.166 1.008 ( -0.667 0.000 0.000) 0.667 1.085 ( -1.371 0.000 0.000) 1.371 1.232 ( -2.317 0.000 0.000) 2.317 1.719 ( -12.286 0.000 0.000) 12.286 1.988 ( -12.373 0.000 0.000) 12.373 2.057 ( 2.845 0.000 0.000) 2.845 2.335 ( 7.061 0.000 0.000) 7.061 2.559 ( -4.537 0.000 0.000) 4.537 2.826 ( 16.705 0.000 0.000) 16.705 3.218 ( -2.585 0.000 0.000) 2.585 3.350 ( -2.786 0.000 0.000) 2.786 3.401 ( -4.831 0.000 0.000) 4.831 3.783 ( 5.764 0.000 0.000) 5.764 3.828 ( 7.194 0.000 0.000) 7.194 4.004 ( -0.143 0.000 0.000) 0.143 4.054 ( 0.874 0.000 0.000) 0.874 4.305 ( -10.346 0.000 0.000) 10.346 4.416 ( -2.937 0.000 0.000) 2.937 4.643 ( 5.807 0.000 0.000) 5.807 4.712 ( 1.655 0.000 0.000) 1.655 4.881 ( 0.320 0.000 0.000) 0.320 4.982 ( -9.746 0.000 0.000) 9.746 5.032 ( -5.813 0.000 0.000) 5.813 5.356 ( 6.515 0.000 0.000) 6.515 5.363 ( -0.731 0.000 0.000) 0.731 5.376 ( 2.467 0.000 0.000) 2.467 5.472 ( 2.011 0.000 0.000) 2.011 5.724 ( 4.085 0.000 0.000) 4.085 5.888 ( 0.636 0.000 0.000) 0.636 5.916 ( 0.772 0.000 0.000) 0.772 6.578 ( -4.140 0.000 0.000) 4.140 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 9.045 0.000 0.000) 9.045 0.645 ( 12.462 0.000 0.000) 12.462 0.820 ( 2.979 0.000 0.000) 2.979 0.842 ( 4.334 0.000 0.000) 4.334 0.973 ( 7.110 0.000 0.000) 7.110 0.988 ( -1.361 0.000 0.000) 1.361 1.046 ( -2.743 0.000 0.000) 2.743 1.250 ( 7.859 0.000 0.000) 7.859 1.502 ( -8.378 0.000 0.000) 8.378 1.834 ( -3.243 0.000 0.000) 3.243 2.057 ( -2.425 0.000 0.000) 2.425 2.371 ( -13.666 0.000 0.000) 13.666 2.528 ( 12.843 0.000 0.000) 12.843 3.153 ( 12.607 0.000 0.000) 12.607 3.180 ( -1.142 0.000 0.000) 1.142 3.257 ( -7.267 0.000 0.000) 7.267 3.347 ( 2.456 0.000 0.000) 2.456 3.894 ( 4.895 0.000 0.000) 4.895 3.957 ( 5.540 0.000 0.000) 5.540 4.003 ( 0.016 0.000 0.000) 0.016 4.061 ( -0.591 0.000 0.000) 0.591 4.101 ( -10.718 0.000 0.000) 10.718 4.380 ( 0.289 0.000 0.000) 0.289 4.730 ( 3.644 0.000 0.000) 3.644 4.752 ( 2.520 0.000 0.000) 2.520 4.787 ( -10.435 0.000 0.000) 10.435 4.883 ( -0.389 0.000 0.000) 0.389 4.927 ( -4.787 0.000 0.000) 4.787 5.348 ( -0.632 0.000 0.000) 0.632 5.390 ( -0.848 0.000 0.000) 0.848 5.463 ( 4.542 0.000 0.000) 4.542 5.514 ( 2.055 0.000 0.000) 2.055 5.848 ( 8.155 0.000 0.000) 8.155 5.904 ( 0.908 0.000 0.000) 0.908 5.937 ( 1.841 0.000 0.000) 1.841 6.462 ( -7.926 0.000 0.000) 7.926 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 10.677 0.000 0.000) 10.677 0.730 ( -10.944 0.000 0.000) 10.944 0.829 ( 6.822 0.000 0.000) 6.822 0.872 ( 1.843 0.000 0.000) 1.843 0.960 ( -1.281 0.000 0.000) 1.281 0.983 ( -3.581 0.000 0.000) 3.581 1.101 ( 6.916 0.000 0.000) 6.916 1.245 ( -7.862 0.000 0.000) 7.862 1.650 ( 18.440 0.000 0.000) 18.440 1.840 ( 1.501 0.000 0.000) 1.501 1.988 ( -3.909 0.000 0.000) 3.909 2.075 ( -15.858 0.000 0.000) 15.858 2.799 ( 15.009 0.000 0.000) 15.009 3.068 ( -12.531 0.000 0.000) 12.531 3.176 ( 0.686 0.000 0.000) 0.686 3.201 ( -1.606 0.000 0.000) 1.606 3.574 ( 15.302 0.000 0.000) 15.302 3.840 ( -11.929 0.000 0.000) 11.929 4.007 ( 1.691 0.000 0.000) 1.691 4.009 ( 0.755 0.000 0.000) 0.755 4.021 ( 1.075 0.000 0.000) 1.075 4.033 ( -1.739 0.000 0.000) 1.739 4.445 ( 6.201 0.000 0.000) 6.201 4.596 ( -9.340 0.000 0.000) 9.340 4.792 ( 2.971 0.000 0.000) 2.971 4.803 ( 2.647 0.000 0.000) 2.647 4.854 ( -2.964 0.000 0.000) 2.964 4.859 ( -2.076 0.000 0.000) 2.076 5.345 ( 0.377 0.000 0.000) 0.377 5.364 ( -1.497 0.000 0.000) 1.497 5.525 ( 1.980 0.000 0.000) 1.980 5.539 ( 0.435 0.000 0.000) 0.435 5.919 ( 0.628 0.000 0.000) 0.628 5.923 ( 0.465 0.000 0.000) 0.465 6.072 ( 11.009 0.000 0.000) 11.009 6.283 ( -10.658 0.000 0.000) 10.658 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 0.000 13.111 0.000) 13.111 0.383 ( 0.000 17.146 0.000) 17.146 0.546 ( 0.000 25.337 0.000) 25.337 0.771 ( 0.000 2.978 0.000) 2.978 0.804 ( 0.000 4.998 0.000) 4.998 1.133 ( 0.000 10.244 0.000) 10.244 1.257 ( 0.000 13.246 0.000) 13.246 1.283 ( 0.000 2.813 0.000) 2.813 1.593 ( 0.000 5.772 0.000) 5.772 1.946 ( 0.000 -2.254 0.000) 2.254 2.134 ( 0.000 -5.765 0.000) 5.765 2.529 ( 0.000 5.159 0.000) 5.159 2.668 ( 0.000 -3.836 0.000) 3.836 2.733 ( 0.000 3.283 0.000) 3.283 3.288 ( 0.000 3.563 0.000) 3.563 3.371 ( 0.000 0.207 0.000) 0.207 3.431 ( 0.000 -2.732 0.000) 2.732 3.666 ( 0.000 -14.819 0.000) 14.819 3.748 ( 0.000 0.126 0.000) 0.126 4.056 ( 0.000 2.614 0.000) 2.614 4.104 ( 0.000 5.197 0.000) 5.197 4.343 ( 0.000 -9.047 0.000) 9.047 4.468 ( 0.000 0.255 0.000) 0.255 4.504 ( 0.000 -2.874 0.000) 2.874 4.728 ( 0.000 2.369 0.000) 2.369 4.738 ( 0.000 -7.383 0.000) 7.383 4.831 ( 0.000 -4.487 0.000) 4.487 4.951 ( 0.000 -16.157 0.000) 16.157 5.271 ( 0.000 0.987 0.000) 0.987 5.275 ( 0.000 -10.262 0.000) 10.262 5.362 ( 0.000 1.670 0.000) 1.670 5.384 ( 0.000 0.927 0.000) 0.927 5.667 ( 0.000 -1.414 0.000) 1.414 6.071 ( 0.000 -0.651 0.000) 0.651 6.075 ( 0.000 10.867 0.000) 10.867 6.580 ( 0.000 -3.020 0.000) 3.020 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.14 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 4.475 11.170 0.000) 12.033 0.385 ( 6.810 9.977 0.000) 12.080 0.759 ( 1.093 0.882 0.000) 1.404 0.775 ( 14.821 15.028 0.000) 21.107 0.895 ( 6.470 5.302 0.000) 8.365 1.129 ( -0.736 9.189 0.000) 9.218 1.228 ( -3.103 11.592 0.000) 12.000 1.247 ( -1.095 5.867 0.000) 5.968 1.572 ( -3.717 -3.691 0.000) 5.238 1.969 ( 2.070 -1.047 0.000) 2.319 2.000 ( -8.659 0.668 0.000) 8.685 2.542 ( -5.627 -1.582 0.000) 5.845 2.575 ( -7.518 9.051 0.000) 11.766 2.783 ( 13.683 -3.410 0.000) 14.102 3.265 ( -2.170 3.709 0.000) 4.297 3.365 ( -1.124 0.750 0.000) 1.351 3.395 ( -2.876 -0.013 0.000) 2.876 3.700 ( 4.186 -11.298 0.000) 12.048 3.785 ( 3.730 -3.046 0.000) 4.815 3.981 ( -3.322 0.105 0.000) 3.324 4.107 ( 0.015 3.895 0.000) 3.895 4.292 ( -11.641 -1.585 0.000) 11.748 4.294 ( -4.631 -10.432 0.000) 11.414 4.639 ( 5.932 -3.882 0.000) 7.090 4.739 ( 1.446 2.156 0.000) 2.596 4.797 ( -0.601 -7.077 0.000) 7.102 4.841 ( 1.685 -4.054 0.000) 4.390 4.945 ( -0.750 -11.337 0.000) 11.362 5.274 ( 1.295 -8.824 0.000) 8.919 5.303 ( 2.516 -0.759 0.000) 2.628 5.398 ( 1.826 -1.678 0.000) 2.479 5.427 ( 3.071 0.458 0.000) 3.105 5.714 ( 5.084 -0.443 0.000) 5.104 6.000 ( -4.185 3.943 0.000) 5.750 6.071 ( -0.334 10.289 0.000) 10.294 6.553 ( -3.248 -2.397 0.000) 4.036 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.29 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 6.164 7.687 0.000) 9.853 0.572 ( 9.632 -1.222 0.000) 9.709 0.813 ( 4.166 0.263 0.000) 4.174 0.917 ( -0.680 3.050 0.000) 3.125 1.015 ( 5.771 3.608 0.000) 6.806 1.097 ( -2.663 7.961 0.000) 8.395 1.146 ( -5.008 8.208 0.000) 9.615 1.360 ( 11.645 11.915 0.000) 16.660 1.454 ( -5.592 -3.425 0.000) 6.557 1.900 ( -1.440 5.886 0.000) 6.060 2.012 ( 1.662 -1.619 0.000) 2.320 2.359 ( -12.778 -1.108 0.000) 12.826 2.553 ( 4.444 2.190 0.000) 4.954 2.999 ( 4.280 -10.356 0.000) 11.206 3.237 ( -0.334 4.829 0.000) 4.841 3.336 ( 0.591 -1.871 0.000) 1.962 3.373 ( 1.207 7.408 0.000) 7.506 3.796 ( 4.817 -10.464 0.000) 11.520 3.869 ( 4.076 -6.210 0.000) 7.428 3.932 ( -2.537 -6.134 0.000) 6.638 4.072 ( -10.571 -1.759 0.000) 10.717 4.090 ( -1.942 0.759 0.000) 2.085 4.214 ( -2.056 -13.300 0.000) 13.458 4.644 ( -7.975 -10.024 0.000) 12.810 4.765 ( 2.869 1.899 0.000) 3.441 4.782 ( 2.864 2.524 0.000) 3.817 4.889 ( 1.702 -0.332 0.000) 1.734 4.927 ( -0.962 -3.379 0.000) 3.513 5.321 ( 2.539 -6.943 0.000) 7.392 5.336 ( 0.833 -1.046 0.000) 1.337 5.415 ( 0.790 -4.625 0.000) 4.692 5.472 ( 1.570 -0.873 0.000) 1.797 5.848 ( 8.041 0.312 0.000) 8.047 5.955 ( -0.803 3.341 0.000) 3.436 6.067 ( 0.216 8.852 0.000) 8.855 6.455 ( -6.916 -0.708 0.000) 6.952 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.43 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 6.837 3.218 0.000) 7.556 0.650 ( -2.875 -2.282 0.000) 3.671 0.897 ( 3.747 2.323 0.000) 4.408 0.900 ( 1.792 3.227 0.000) 3.691 1.036 ( -3.143 6.000 0.000) 6.774 1.039 ( -3.735 3.362 0.000) 5.025 1.138 ( 5.919 4.391 0.000) 7.370 1.274 ( -8.096 1.834 0.000) 8.301 1.704 ( 17.711 5.871 0.000) 18.659 1.913 ( 0.295 6.332 0.000) 6.339 2.012 ( -1.401 2.357 0.000) 2.741 2.086 ( -14.084 1.321 0.000) 14.146 2.709 ( 10.790 -6.458 0.000) 12.575 2.916 ( -9.704 -10.720 0.000) 14.460 3.255 ( 2.135 6.502 0.000) 6.843 3.307 ( -2.881 6.768 0.000) 7.356 3.537 ( 12.280 -4.217 0.000) 12.984 3.760 ( -10.008 -9.183 0.000) 13.583 3.911 ( 0.818 -7.470 0.000) 7.515 3.922 ( 1.050 -9.332 0.000) 9.391 3.960 ( 0.571 -1.794 0.000) 1.883 4.032 ( -4.107 -3.418 0.000) 5.343 4.268 ( 7.479 -11.914 0.000) 14.067 4.452 ( -10.802 -9.650 0.000) 14.485 4.836 ( 3.485 2.461 0.000) 4.266 4.839 ( 2.746 2.879 0.000) 3.979 4.893 ( -1.043 1.215 0.000) 1.601 4.903 ( -1.846 0.822 0.000) 2.021 5.341 ( -0.016 -1.722 0.000) 1.723 5.341 ( -0.049 -0.996 0.000) 0.997 5.451 ( 2.461 -6.683 0.000) 7.122 5.483 ( -0.543 -4.139 0.000) 4.175 5.957 ( 1.295 2.116 0.000) 2.481 5.957 ( 1.196 2.192 0.000) 2.497 6.126 ( 7.311 5.004 0.000) 8.860 6.297 ( -9.314 1.373 0.000) 9.415 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 12.562 0.000) 12.562 0.677 ( 0.000 11.744 0.000) 11.744 0.866 ( 0.000 5.558 0.000) 5.558 0.933 ( 0.000 6.982 0.000) 6.982 0.967 ( 0.000 14.047 0.000) 14.047 1.353 ( 0.000 9.854 0.000) 9.854 1.414 ( 0.000 11.500 0.000) 11.500 1.558 ( 0.000 15.306 0.000) 15.306 1.753 ( 0.000 9.409 0.000) 9.409 1.880 ( 0.000 -4.004 0.000) 4.004 1.976 ( 0.000 -8.994 0.000) 8.994 2.555 ( 0.000 -7.142 0.000) 7.142 2.688 ( 0.000 10.439 0.000) 10.439 2.841 ( 0.000 7.364 0.000) 7.364 3.330 ( 0.000 -16.692 0.000) 16.692 3.380 ( 0.000 -2.092 0.000) 2.092 3.382 ( 0.000 5.105 0.000) 5.105 3.388 ( 0.000 0.715 0.000) 0.715 3.721 ( 0.000 -2.682 0.000) 2.682 4.100 ( 0.000 1.889 0.000) 1.889 4.138 ( 0.000 -10.053 0.000) 10.053 4.219 ( 0.000 5.405 0.000) 5.405 4.395 ( 0.000 -8.541 0.000) 8.541 4.462 ( 0.000 -0.742 0.000) 0.742 4.522 ( 0.000 -23.051 0.000) 23.051 4.575 ( 0.000 -7.113 0.000) 7.113 4.701 ( 0.000 -8.115 0.000) 8.115 4.767 ( 0.000 1.127 0.000) 1.127 5.090 ( 0.000 -9.082 0.000) 9.082 5.280 ( 0.000 -0.422 0.000) 0.422 5.332 ( 0.000 -5.730 0.000) 5.730 5.393 ( 0.000 -0.233 0.000) 0.233 5.685 ( 0.000 4.083 0.000) 4.083 6.048 ( 0.000 -1.586 0.000) 1.586 6.255 ( 0.000 6.355 0.000) 6.355 6.495 ( 0.000 -5.187 0.000) 5.187 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.14 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 2.105 11.503 0.000) 11.694 0.641 ( -1.781 12.392 0.000) 12.519 0.828 ( -0.917 5.435 0.000) 5.512 1.008 ( 1.472 8.001 0.000) 8.135 1.008 ( 4.796 5.265 0.000) 7.122 1.326 ( -2.089 9.562 0.000) 9.787 1.471 ( 5.824 12.650 0.000) 13.926 1.480 ( -7.075 12.067 0.000) 13.988 1.585 ( -10.825 3.491 0.000) 11.374 1.989 ( 1.341 -1.815 0.000) 2.257 1.990 ( 5.542 3.305 0.000) 6.453 2.486 ( -6.262 -4.604 0.000) 7.773 2.733 ( -8.548 8.074 0.000) 11.758 2.757 ( 5.288 2.817 0.000) 5.992 3.295 ( -5.256 -6.113 0.000) 8.061 3.306 ( -0.540 -5.658 0.000) 5.684 3.449 ( 5.030 -5.614 0.000) 7.537 3.468 ( 4.532 4.549 0.000) 6.421 3.726 ( 1.128 -2.349 0.000) 2.606 3.960 ( -11.067 -3.033 0.000) 11.476 4.056 ( -7.072 -10.806 0.000) 12.915 4.179 ( -4.525 1.967 0.000) 4.933 4.258 ( -11.654 -1.000 0.000) 11.697 4.474 ( 3.568 -9.126 0.000) 9.798 4.588 ( 6.524 -20.178 0.000) 21.206 4.709 ( 0.684 -7.489 0.000) 7.520 4.753 ( 9.575 -1.829 0.000) 9.748 4.782 ( 1.682 1.320 0.000) 2.138 5.125 ( 3.185 -7.212 0.000) 7.884 5.279 ( 0.119 -2.424 0.000) 2.427 5.328 ( -0.516 -6.350 0.000) 6.371 5.409 ( 0.978 -1.801 0.000) 2.049 5.746 ( 5.943 4.120 0.000) 7.232 6.026 ( -1.776 -0.335 0.000) 1.807 6.243 ( -1.193 6.078 0.000) 6.194 6.485 ( -1.396 -4.179 0.000) 4.406 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 2.776 8.912 0.000) 9.334 0.655 ( 3.135 8.194 0.000) 8.774 0.860 ( 4.200 4.569 0.000) 6.206 0.972 ( -3.991 3.826 0.000) 5.528 1.077 ( 2.011 2.318 0.000) 3.069 1.277 ( -3.832 8.739 0.000) 9.543 1.338 ( -6.843 9.525 0.000) 11.728 1.389 ( -7.949 -2.624 0.000) 8.371 1.656 ( 11.733 14.445 0.000) 18.610 2.024 ( 2.136 4.929 0.000) 5.372 2.056 ( 1.882 6.105 0.000) 6.389 2.331 ( -9.856 -1.608 0.000) 9.987 2.613 ( -3.153 3.874 0.000) 4.995 2.812 ( -1.414 -6.340 0.000) 6.496 3.223 ( -0.224 -9.170 0.000) 9.173 3.326 ( 2.685 0.921 0.000) 2.839 3.537 ( 1.837 6.940 0.000) 7.179 3.550 ( 5.239 -10.007 0.000) 11.296 3.730 ( -12.447 -12.092 0.000) 17.353 3.763 ( 0.946 -2.484 0.000) 2.658 3.938 ( -2.671 -10.919 0.000) 11.241 4.075 ( -7.537 1.620 0.000) 7.709 4.076 ( -4.967 -3.214 0.000) 5.916 4.455 ( -6.096 -8.114 0.000) 10.148 4.727 ( 6.764 -14.438 0.000) 15.944 4.737 ( 3.104 -4.890 0.000) 5.792 4.834 ( 3.607 1.735 0.000) 4.003 4.890 ( 4.414 0.298 0.000) 4.424 5.193 ( 3.632 -5.884 0.000) 6.915 5.285 ( 0.482 -4.933 0.000) 4.956 5.315 ( -0.567 -6.521 0.000) 6.546 5.409 ( -1.175 -4.835 0.000) 4.975 5.883 ( 7.524 3.443 0.000) 8.275 6.001 ( -0.593 1.434 0.000) 1.552 6.217 ( -1.157 5.425 0.000) 5.547 6.432 ( -4.256 -1.658 0.000) 4.568 ======================= Grid point 17 (12/96) ======================= q-point: ( 0.43 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 2.986 6.803 0.000) 7.429 0.697 ( -0.686 6.199 0.000) 6.237 0.943 ( 2.444 1.690 0.000) 2.971 0.963 ( 4.699 4.193 0.000) 6.298 1.075 ( -1.156 0.662 0.000) 1.332 1.159 ( -7.596 4.710 0.000) 8.938 1.260 ( -0.653 6.027 0.000) 6.062 1.291 ( -3.140 0.711 0.000) 3.219 1.884 ( 11.587 10.552 0.000) 15.672 2.048 ( -1.693 5.906 0.000) 6.144 2.083 ( 1.193 4.981 0.000) 5.122 2.138 ( -8.413 3.747 0.000) 9.210 2.612 ( 2.845 -2.541 0.000) 3.815 2.712 ( -6.941 -7.920 0.000) 10.531 3.306 ( 7.759 -11.540 0.000) 13.906 3.403 ( 4.929 6.372 0.000) 8.056 3.490 ( -10.504 -14.920 0.000) 18.247 3.508 ( -4.561 5.967 0.000) 7.511 3.663 ( 4.673 -13.894 0.000) 14.658 3.734 ( -2.564 -9.629 0.000) 9.965 3.932 ( -0.612 -3.186 0.000) 3.244 3.964 ( -4.102 1.517 0.000) 4.374 4.093 ( 7.878 -5.969 0.000) 9.884 4.283 ( -10.658 -6.708 0.000) 12.594 4.804 ( 2.899 -5.522 0.000) 6.237 4.814 ( 2.187 -8.348 0.000) 8.629 4.898 ( 2.477 1.459 0.000) 2.875 4.925 ( -0.259 1.468 0.000) 1.490 5.256 ( 2.912 -6.878 0.000) 7.469 5.289 ( -0.442 -5.778 0.000) 5.795 5.320 ( 1.354 -6.039 0.000) 6.189 5.366 ( -2.947 -6.714 0.000) 7.333 5.991 ( 2.883 2.329 0.000) 3.706 6.003 ( 0.496 2.156 0.000) 2.212 6.228 ( 3.262 4.175 0.000) 5.298 6.329 ( -6.159 1.334 0.000) 6.302 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 10.918 0.000) 10.918 0.871 ( 0.000 7.745 0.000) 7.745 0.974 ( 0.000 5.073 0.000) 5.073 1.056 ( 0.000 4.373 0.000) 4.373 1.130 ( 0.000 4.267 0.000) 4.267 1.499 ( 0.000 4.508 0.000) 4.508 1.650 ( 0.000 3.581 0.000) 3.581 1.806 ( 0.000 -7.031 0.000) 7.031 1.856 ( 0.000 13.681 0.000) 13.681 1.858 ( 0.000 7.457 0.000) 7.457 1.940 ( 0.000 8.148 0.000) 8.148 2.393 ( 0.000 -8.001 0.000) 8.001 2.937 ( 0.000 13.443 0.000) 13.443 2.940 ( 0.000 -4.952 0.000) 4.952 3.130 ( 0.000 5.184 0.000) 5.184 3.327 ( 0.000 -4.358 0.000) 4.358 3.343 ( 0.000 -6.234 0.000) 6.234 3.452 ( 0.000 0.200 0.000) 0.200 3.674 ( 0.000 -0.980 0.000) 0.980 3.971 ( 0.000 -5.928 0.000) 5.928 4.119 ( 0.000 -14.053 0.000) 14.053 4.135 ( 0.000 1.433 0.000) 1.433 4.189 ( 0.000 -9.840 0.000) 9.840 4.297 ( 0.000 1.610 0.000) 1.610 4.448 ( 0.000 -0.358 0.000) 0.358 4.460 ( 0.000 -5.171 0.000) 5.171 4.519 ( 0.000 -8.852 0.000) 8.852 4.762 ( 0.000 -1.787 0.000) 1.787 4.895 ( 0.000 -9.693 0.000) 9.693 5.148 ( 0.000 -11.497 0.000) 11.497 5.253 ( 0.000 -1.885 0.000) 1.885 5.373 ( 0.000 -1.675 0.000) 1.675 5.812 ( 0.000 7.529 0.000) 7.529 6.010 ( 0.000 -2.016 0.000) 2.016 6.331 ( 0.000 1.349 0.000) 1.349 6.375 ( 0.000 -6.499 0.000) 6.499 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.14 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.028 10.376 0.000) 10.376 0.853 ( -1.456 8.503 0.000) 8.626 0.945 ( -0.922 5.382 0.000) 5.460 1.098 ( 2.578 3.427 0.000) 4.288 1.125 ( -0.958 4.180 0.000) 4.289 1.462 ( -3.971 3.257 0.000) 5.136 1.563 ( -9.091 -0.690 0.000) 9.117 1.656 ( -9.197 3.386 0.000) 9.800 1.810 ( 2.571 14.970 0.000) 15.190 1.982 ( 6.723 3.328 0.000) 7.501 2.093 ( 8.603 5.645 0.000) 10.290 2.368 ( -2.581 -5.774 0.000) 6.325 2.903 ( -3.771 10.283 0.000) 10.953 2.904 ( -6.235 5.397 0.000) 8.246 3.094 ( 0.056 -5.172 0.000) 5.172 3.129 ( -10.391 -9.873 0.000) 14.334 3.450 ( -0.718 -1.730 0.000) 1.873 3.499 ( 6.631 -2.381 0.000) 7.046 3.722 ( 4.778 1.089 0.000) 4.901 3.880 ( -16.098 -3.301 0.000) 16.433 3.897 ( -6.166 -3.817 0.000) 7.252 4.144 ( -4.851 -8.365 0.000) 9.670 4.250 ( 3.306 -8.447 0.000) 9.071 4.261 ( -8.583 0.663 0.000) 8.609 4.322 ( 4.192 -5.142 0.000) 6.634 4.535 ( 3.533 -8.682 0.000) 9.374 4.702 ( 11.296 -3.498 0.000) 11.825 4.783 ( 1.949 -1.629 0.000) 2.540 4.967 ( 6.022 -7.772 0.000) 9.832 5.142 ( -0.545 -11.362 0.000) 11.375 5.197 ( -4.508 -5.099 0.000) 6.806 5.359 ( -2.323 -3.308 0.000) 4.042 5.865 ( 5.116 6.905 0.000) 8.594 6.013 ( 0.598 -0.527 0.000) 0.797 6.317 ( -1.408 1.415 0.000) 1.996 6.387 ( 0.784 -5.338 0.000) 5.396 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.29 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.128 8.120 0.000) 8.121 0.840 ( 0.571 8.696 0.000) 8.715 0.970 ( 3.369 5.015 0.000) 6.041 1.071 ( -4.871 5.418 0.000) 7.286 1.126 ( 0.158 2.971 0.000) 2.975 1.330 ( -8.747 -3.358 0.000) 9.370 1.424 ( -4.848 5.488 0.000) 7.323 1.482 ( -8.859 3.681 0.000) 9.594 1.918 ( 7.524 11.640 0.000) 13.860 2.085 ( 3.977 1.956 0.000) 4.432 2.215 ( 3.892 7.398 0.000) 8.359 2.305 ( -3.695 0.038 0.000) 3.695 2.726 ( -9.771 7.763 0.000) 12.480 2.768 ( -9.653 0.296 0.000) 9.658 3.011 ( -1.395 -8.915 0.000) 9.024 3.175 ( 6.980 -10.465 0.000) 12.579 3.377 ( -8.260 -12.051 0.000) 14.610 3.578 ( 1.581 -1.227 0.000) 2.001 3.638 ( -6.649 3.911 0.000) 7.714 3.760 ( -5.723 -4.840 0.000) 7.495 3.859 ( 6.702 6.322 0.000) 9.213 3.978 ( -7.915 -5.261 0.000) 9.504 4.117 ( -6.691 2.262 0.000) 7.063 4.322 ( -4.261 -4.752 0.000) 6.383 4.417 ( 10.714 -14.614 0.000) 18.121 4.609 ( 3.967 -6.590 0.000) 7.691 4.828 ( 2.541 -2.813 0.000) 3.791 4.869 ( 5.377 -2.830 0.000) 6.076 5.063 ( 2.747 -7.276 0.000) 7.777 5.128 ( -1.883 -9.531 0.000) 9.715 5.142 ( 1.283 -9.568 0.000) 9.654 5.284 ( -4.917 -7.777 0.000) 9.202 5.978 ( 5.909 5.433 0.000) 8.027 6.033 ( 1.335 2.037 0.000) 2.435 6.286 ( -1.407 1.641 0.000) 2.162 6.386 ( -1.184 -2.809 0.000) 3.049 ======================= Grid point 24 (16/96) ======================= q-point: ( 0.43 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 2.987 6.779 0.000) 7.408 0.854 ( -1.605 8.271 0.000) 8.426 0.995 ( 0.458 3.598 0.000) 3.627 1.056 ( 4.311 3.849 0.000) 5.779 1.087 ( -3.643 1.464 0.000) 3.926 1.181 ( -6.945 -1.408 0.000) 7.086 1.353 ( -3.368 3.149 0.000) 4.611 1.354 ( -2.432 4.562 0.000) 5.170 2.062 ( 6.750 6.737 0.000) 9.537 2.129 ( 0.269 2.469 0.000) 2.483 2.238 ( -0.882 9.405 0.000) 9.446 2.242 ( -2.418 6.646 0.000) 7.072 2.596 ( -3.098 0.816 0.000) 3.204 2.616 ( -5.049 -2.451 0.000) 5.613 3.043 ( 4.258 -10.857 0.000) 11.662 3.169 ( -8.715 -13.218 0.000) 15.833 3.361 ( 9.620 -11.517 0.000) 15.006 3.541 ( -6.885 -8.529 0.000) 10.961 3.596 ( 0.257 6.184 0.000) 6.189 3.633 ( -4.832 4.039 0.000) 6.298 3.921 ( 2.259 -0.263 0.000) 2.274 4.002 ( -5.458 1.777 0.000) 5.740 4.017 ( 8.646 0.215 0.000) 8.649 4.187 ( -8.869 -2.287 0.000) 9.159 4.598 ( 7.142 -11.643 0.000) 13.659 4.660 ( 0.511 -7.656 0.000) 7.673 4.873 ( 2.080 -4.451 0.000) 4.913 4.903 ( -0.768 -4.316 0.000) 4.383 5.083 ( 0.853 -10.194 0.000) 10.229 5.112 ( -1.343 -10.008 0.000) 10.098 5.181 ( 1.731 -7.216 0.000) 7.421 5.207 ( -2.171 -9.561 0.000) 9.805 6.057 ( 1.836 3.933 0.000) 4.340 6.058 ( 1.056 3.319 0.000) 3.483 6.286 ( 1.815 1.582 0.000) 2.408 6.342 ( -3.219 -0.138 0.000) 3.222 ======================= Grid point 28 (17/96) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.000 6.425 0.000) 6.425 1.003 ( 0.000 5.419 0.000) 5.419 1.096 ( 0.000 7.614 0.000) 7.614 1.097 ( 0.000 0.100 0.000) 0.100 1.187 ( 0.000 1.403 0.000) 1.403 1.555 ( 0.000 1.554 0.000) 1.554 1.592 ( 0.000 -4.172 0.000) 4.172 1.677 ( 0.000 -6.959 0.000) 6.959 2.064 ( 0.000 4.176 0.000) 4.176 2.090 ( 0.000 9.860 0.000) 9.860 2.100 ( 0.000 10.028 0.000) 10.028 2.274 ( 0.000 -2.785 0.000) 2.785 2.833 ( 0.000 -1.403 0.000) 1.403 3.125 ( 0.000 -5.155 0.000) 5.155 3.164 ( 0.000 -9.741 0.000) 9.741 3.260 ( 0.000 8.890 0.000) 8.890 3.343 ( 0.000 -10.521 0.000) 10.521 3.365 ( 0.000 13.517 0.000) 13.517 3.673 ( 0.000 0.173 0.000) 0.173 3.895 ( 0.000 -1.901 0.000) 1.901 4.014 ( 0.000 2.703 0.000) 2.703 4.033 ( 0.000 -6.695 0.000) 6.695 4.159 ( 0.000 1.088 0.000) 1.088 4.258 ( 0.000 -5.497 0.000) 5.497 4.332 ( 0.000 -5.611 0.000) 5.611 4.402 ( 0.000 -3.069 0.000) 3.069 4.448 ( 0.000 0.046 0.000) 0.046 4.687 ( 0.000 -6.222 0.000) 6.222 4.736 ( 0.000 -5.028 0.000) 5.028 4.902 ( 0.000 -11.507 0.000) 11.507 5.220 ( 0.000 -1.001 0.000) 1.001 5.329 ( 0.000 -2.563 0.000) 2.563 5.970 ( 0.000 7.804 0.000) 7.804 5.979 ( 0.000 -0.543 0.000) 0.543 6.236 ( 0.000 -7.085 0.000) 7.085 6.318 ( 0.000 -2.401 0.000) 2.401 ======================= Grid point 29 (18/96) ======================= q-point: ( 0.14 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.258 7.291 0.000) 7.295 0.992 ( -0.910 5.448 0.000) 5.523 1.050 ( -1.845 5.426 0.000) 5.731 1.144 ( 2.510 1.612 0.000) 2.983 1.186 ( -0.220 1.343 0.000) 1.361 1.463 ( -8.811 -1.103 0.000) 8.879 1.562 ( -2.703 0.338 0.000) 2.724 1.618 ( -5.988 -5.996 0.000) 8.474 2.065 ( 2.128 8.901 0.000) 9.152 2.111 ( 1.413 7.441 0.000) 7.574 2.185 ( 6.561 3.440 0.000) 7.408 2.304 ( 2.507 -0.095 0.000) 2.509 2.864 ( 3.161 -1.761 0.000) 3.619 2.944 ( -10.963 -6.722 0.000) 12.860 3.136 ( -8.919 12.095 0.000) 15.028 3.243 ( -9.748 10.177 0.000) 14.092 3.318 ( -5.421 -7.945 0.000) 9.619 3.350 ( 8.931 -12.013 0.000) 14.969 3.717 ( 1.955 -1.209 0.000) 2.298 3.833 ( -12.410 -3.181 0.000) 12.811 3.868 ( -1.496 -1.390 0.000) 2.042 4.054 ( 3.906 3.348 0.000) 5.145 4.128 ( -9.370 -6.569 0.000) 11.443 4.246 ( 2.942 -0.373 0.000) 2.965 4.294 ( -4.979 0.444 0.000) 4.999 4.402 ( 5.507 -3.385 0.000) 6.464 4.613 ( 10.500 -5.187 0.000) 11.712 4.718 ( 1.340 -4.415 0.000) 4.614 4.814 ( 5.692 -8.603 0.000) 10.316 4.913 ( 2.173 -8.858 0.000) 9.121 5.103 ( -9.664 -3.370 0.000) 10.235 5.270 ( -6.891 -5.311 0.000) 8.700 6.008 ( 3.643 6.940 0.000) 7.838 6.017 ( 3.491 1.108 0.000) 3.662 6.272 ( 3.022 -5.859 0.000) 6.592 6.309 ( -0.873 -1.959 0.000) 2.145 ======================= Grid point 30 (19/96) ======================= q-point: ( 0.29 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -1.856 8.337 0.000) 8.541 0.981 ( 0.113 5.138 0.000) 5.139 1.055 ( 2.023 3.891 0.000) 4.386 1.172 ( -1.371 2.594 0.000) 2.934 1.184 ( 0.970 2.048 0.000) 2.267 1.270 ( -10.459 -0.288 0.000) 10.463 1.474 ( -7.891 -4.012 0.000) 8.852 1.497 ( -3.886 1.530 0.000) 4.176 2.128 ( 3.957 8.589 0.000) 9.457 2.153 ( 2.650 5.372 0.000) 5.990 2.298 ( 4.836 1.025 0.000) 4.943 2.346 ( 1.582 2.863 0.000) 3.271 2.728 ( -10.671 -1.880 0.000) 10.835 2.909 ( -4.645 6.407 0.000) 7.913 2.992 ( -5.115 5.843 0.000) 7.766 3.046 ( -4.120 1.252 0.000) 4.306 3.154 ( -9.991 -8.452 0.000) 13.087 3.455 ( 0.104 -11.998 0.000) 11.998 3.679 ( -3.709 -2.468 0.000) 4.455 3.694 ( -3.034 -3.645 0.000) 4.743 3.865 ( 0.795 -0.101 0.000) 0.801 4.002 ( -0.194 1.550 0.000) 1.562 4.175 ( -6.251 3.970 0.000) 7.405 4.200 ( 9.604 -4.295 0.000) 10.521 4.275 ( -1.424 0.483 0.000) 1.504 4.507 ( 4.414 -3.006 0.000) 5.340 4.737 ( 0.799 -5.731 0.000) 5.786 4.769 ( 3.446 -6.892 0.000) 7.706 4.851 ( -0.488 -11.371 0.000) 11.382 4.949 ( -3.274 -7.250 0.000) 7.955 5.001 ( 4.825 -5.172 0.000) 7.074 5.093 ( -10.462 -10.450 0.000) 14.787 6.086 ( 3.294 3.155 0.000) 4.561 6.088 ( 4.108 5.207 0.000) 6.633 6.292 ( -0.650 -0.906 0.000) 1.115 6.320 ( 1.504 -3.661 0.000) 3.958 ======================= Grid point 31 (20/96) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.567 7.256 0.000) 7.696 0.997 ( -0.094 4.881 0.000) 4.882 1.089 ( -4.602 5.362 0.000) 7.066 1.102 ( 2.565 2.592 0.000) 3.647 1.141 ( -5.264 1.968 0.000) 5.620 1.150 ( -2.369 -0.572 0.000) 2.437 1.388 ( -0.327 -0.127 0.000) 0.351 1.425 ( -3.356 1.573 0.000) 3.707 2.194 ( 2.393 6.472 0.000) 6.900 2.199 ( 1.779 5.033 0.000) 5.338 2.359 ( 1.454 1.253 0.000) 1.919 2.363 ( 0.421 3.480 0.000) 3.505 2.596 ( -2.074 2.256 0.000) 3.065 2.682 ( -11.046 7.898 0.000) 13.580 2.947 ( 0.258 1.494 0.000) 1.516 3.001 ( -5.549 -2.093 0.000) 5.931 3.152 ( 9.295 -8.792 0.000) 12.795 3.341 ( -9.753 -11.181 0.000) 14.837 3.650 ( -0.208 -3.117 0.000) 3.124 3.657 ( -0.896 -4.006 0.000) 4.105 3.927 ( 5.573 3.783 0.000) 6.736 4.049 ( -6.769 4.319 0.000) 8.030 4.074 ( 6.147 2.906 0.000) 6.799 4.200 ( -6.173 3.243 0.000) 6.973 4.394 ( 9.695 -7.541 0.000) 12.282 4.525 ( -3.279 -5.759 0.000) 6.627 4.758 ( 1.620 -5.920 0.000) 6.138 4.768 ( 0.212 -6.921 0.000) 6.924 4.831 ( -0.873 -12.856 0.000) 12.886 4.891 ( -7.442 -12.909 0.000) 14.901 5.011 ( 3.516 -8.278 0.000) 8.994 5.050 ( 0.113 -6.141 0.000) 6.142 6.133 ( 1.543 3.914 0.000) 4.207 6.140 ( 1.038 4.071 0.000) 4.201 6.297 ( 1.248 -0.410 0.000) 1.314 6.324 ( -0.971 -1.614 0.000) 1.883 ======================= Grid point 35 (21/96) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 2.996 0.000) 2.996 1.081 ( 0.000 -1.419 0.000) 1.419 1.099 ( 0.000 4.259 0.000) 4.259 1.174 ( 0.000 -2.657 0.000) 2.657 1.281 ( 0.000 10.225 0.000) 10.225 1.496 ( 0.000 -10.448 0.000) 10.448 1.550 ( 0.000 0.137 0.000) 0.137 1.567 ( 0.000 -0.560 0.000) 0.560 2.140 ( 0.000 3.872 0.000) 3.872 2.192 ( 0.000 0.241 0.000) 0.241 2.246 ( 0.000 4.004 0.000) 4.004 2.269 ( 0.000 0.808 0.000) 0.808 2.898 ( 0.000 7.106 0.000) 7.106 2.986 ( 0.000 -3.937 0.000) 3.937 3.002 ( 0.000 -5.196 0.000) 5.196 3.097 ( 0.000 -11.974 0.000) 11.974 3.496 ( 0.000 10.609 0.000) 10.609 3.631 ( 0.000 12.348 0.000) 12.348 3.648 ( 0.000 -3.882 0.000) 3.882 3.861 ( 0.000 -10.221 0.000) 10.221 3.902 ( 0.000 3.518 0.000) 3.518 4.032 ( 0.000 -6.943 0.000) 6.943 4.190 ( 0.000 2.226 0.000) 2.226 4.232 ( 0.000 9.176 0.000) 9.176 4.250 ( 0.000 -3.472 0.000) 3.472 4.391 ( 0.000 1.795 0.000) 1.795 4.434 ( 0.000 -1.635 0.000) 1.635 4.481 ( 0.000 -13.034 0.000) 13.034 4.695 ( 0.000 0.424 0.000) 0.424 4.741 ( 0.000 -4.373 0.000) 4.373 5.225 ( 0.000 1.525 0.000) 1.525 5.273 ( 0.000 -2.846 0.000) 2.846 6.002 ( 0.000 2.989 0.000) 2.989 6.098 ( 0.000 -6.126 0.000) 6.126 6.120 ( 0.000 6.807 0.000) 6.807 6.241 ( 0.000 -5.012 0.000) 5.012 ======================= Grid point 36 (22/96) ======================= q-point: ( 0.14 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 1.817 3.365 0.000) 3.824 1.085 ( -1.269 4.071 0.000) 4.264 1.102 ( 1.772 -0.801 0.000) 1.945 1.162 ( -1.200 -3.205 0.000) 3.422 1.249 ( -2.668 8.924 0.000) 9.314 1.448 ( -4.681 -9.879 0.000) 10.932 1.485 ( -5.504 3.058 0.000) 6.296 1.547 ( -2.616 -2.157 0.000) 3.391 2.178 ( 3.513 3.736 0.000) 5.129 2.227 ( 3.222 -0.233 0.000) 3.231 2.248 ( 1.126 5.558 0.000) 5.671 2.314 ( 3.201 -0.668 0.000) 3.270 2.907 ( -4.596 3.634 0.000) 5.859 2.910 ( 1.271 5.889 0.000) 6.024 3.077 ( 3.130 -12.102 0.000) 12.500 3.081 ( -1.969 -10.465 0.000) 10.649 3.399 ( -8.469 12.797 0.000) 15.346 3.506 ( -11.365 11.424 0.000) 16.114 3.629 ( -3.709 -8.458 0.000) 9.236 3.710 ( -11.485 -8.514 0.000) 14.297 3.871 ( -0.684 2.420 0.000) 2.515 3.967 ( -4.001 -6.838 0.000) 7.922 4.238 ( 1.085 12.093 0.000) 12.142 4.263 ( 4.440 1.944 0.000) 4.847 4.305 ( 1.958 -0.935 0.000) 2.170 4.400 ( 2.964 3.289 0.000) 4.427 4.500 ( 6.302 -5.655 0.000) 8.467 4.514 ( 1.053 -14.140 0.000) 14.179 4.735 ( 3.478 1.254 0.000) 3.697 4.797 ( 5.182 -4.189 0.000) 6.663 5.083 ( -12.516 1.554 0.000) 12.613 5.157 ( -11.300 -5.243 0.000) 12.457 6.064 ( 5.261 3.543 0.000) 6.342 6.140 ( 1.934 5.922 0.000) 6.230 6.156 ( 4.868 -5.353 0.000) 7.235 6.245 ( 0.329 -4.280 0.000) 4.292 ======================= Grid point 37 (23/96) ======================= q-point: ( 0.29 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.898 3.315 0.000) 3.435 1.079 ( -0.825 5.274 0.000) 5.338 1.126 ( 0.985 1.479 0.000) 1.777 1.131 ( -1.942 -3.638 0.000) 4.124 1.221 ( -0.171 3.493 0.000) 3.497 1.349 ( -4.337 -7.449 0.000) 8.620 1.367 ( -6.354 6.583 0.000) 9.150 1.477 ( -4.340 -3.554 0.000) 5.610 2.251 ( 3.715 3.699 0.000) 5.243 2.282 ( 2.017 6.127 0.000) 6.450 2.295 ( 3.523 -0.906 0.000) 3.637 2.364 ( 1.649 -1.611 0.000) 2.305 2.810 ( -5.382 10.025 0.000) 11.379 2.937 ( 0.680 1.221 0.000) 1.398 3.002 ( -6.444 -4.967 0.000) 8.136 3.060 ( -4.864 -9.149 0.000) 10.362 3.273 ( -3.920 5.309 0.000) 6.600 3.273 ( -10.905 13.414 0.000) 17.288 3.511 ( -6.112 -12.810 0.000) 14.193 3.529 ( -6.458 -11.026 0.000) 12.778 3.924 ( 5.920 3.213 0.000) 6.735 3.976 ( 4.859 -2.054 0.000) 5.275 4.261 ( 1.391 8.734 0.000) 8.844 4.274 ( -2.717 5.132 0.000) 5.807 4.325 ( 1.087 1.876 0.000) 2.169 4.486 ( 2.848 1.840 0.000) 3.391 4.508 ( -1.089 -14.126 0.000) 14.168 4.609 ( 2.160 -8.275 0.000) 8.552 4.789 ( 1.650 3.259 0.000) 3.653 4.854 ( -7.495 -1.586 0.000) 7.661 4.891 ( 3.646 -5.730 0.000) 6.791 4.905 ( -13.314 -6.678 0.000) 14.895 6.159 ( 4.085 3.885 0.000) 5.638 6.184 ( 2.361 4.160 0.000) 4.783 6.240 ( 3.400 -4.066 0.000) 5.300 6.254 ( 0.728 -2.721 0.000) 2.817 ======================= Grid point 38 (24/96) ======================= q-point: ( 0.43 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.331 4.632 0.000) 4.644 1.059 ( 0.360 2.066 0.000) 2.097 1.097 ( -0.965 -1.733 0.000) 1.984 1.124 ( -2.192 -1.823 0.000) 2.850 1.212 ( 0.723 6.142 0.000) 6.185 1.262 ( -4.271 7.840 0.000) 8.928 1.334 ( 2.143 -4.962 0.000) 5.405 1.395 ( -3.981 -4.506 0.000) 6.013 2.304 ( 1.621 3.811 0.000) 4.142 2.311 ( 0.778 4.870 0.000) 4.931 2.349 ( 2.042 -1.125 0.000) 2.331 2.373 ( -0.501 -1.364 0.000) 1.453 2.744 ( -0.196 11.123 0.000) 11.125 2.824 ( -8.039 5.862 0.000) 9.949 2.961 ( -0.226 -7.352 0.000) 7.356 2.977 ( -2.642 -7.347 0.000) 7.807 3.159 ( -0.941 13.249 0.000) 13.282 3.198 ( -3.906 5.587 0.000) 6.817 3.452 ( -0.669 -14.127 0.000) 14.143 3.460 ( -1.526 -13.991 0.000) 14.074 4.069 ( 8.345 7.156 0.000) 10.993 4.126 ( 10.324 2.047 0.000) 10.525 4.201 ( -5.141 9.592 0.000) 10.883 4.301 ( 3.125 0.334 0.000) 3.143 4.311 ( -4.795 7.498 0.000) 8.900 4.390 ( -8.493 -7.170 0.000) 11.115 4.495 ( 0.463 -14.953 0.000) 14.960 4.561 ( -5.907 -14.552 0.000) 15.705 4.759 ( -0.098 2.481 0.000) 2.483 4.790 ( -1.432 4.492 0.000) 4.714 4.863 ( 3.962 -6.624 0.000) 7.719 4.917 ( -0.983 -6.931 0.000) 7.001 6.211 ( 1.443 3.664 0.000) 3.938 6.216 ( 0.801 3.314 0.000) 3.409 6.271 ( 0.925 -2.038 0.000) 2.238 6.278 ( 0.601 -2.845 0.000) 2.908 ======================= Grid point 77 (25/96) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( 0.000 0.000 8.345) 8.345 0.232 ( 0.000 0.000 11.926) 11.926 0.489 ( 0.000 0.000 25.178) 25.178 0.733 ( 0.000 0.000 -1.950) 1.950 0.805 ( 0.000 0.000 -6.328) 6.328 1.018 ( 0.000 0.000 0.438) 0.438 1.091 ( 0.000 0.000 -0.811) 0.811 1.350 ( 0.000 0.000 9.096) 9.096 1.496 ( 0.000 0.000 -3.908) 3.908 2.015 ( 0.000 0.000 4.883) 4.883 2.159 ( 0.000 0.000 -3.920) 3.920 2.333 ( 0.000 0.000 6.979) 6.979 2.532 ( 0.000 0.000 -0.051) 0.051 2.632 ( 0.000 0.000 -6.047) 6.047 2.696 ( 0.000 0.000 -2.381) 2.381 3.267 ( 0.000 0.000 1.779) 1.779 3.279 ( 0.000 0.000 -9.740) 9.740 3.628 ( 0.000 0.000 -7.620) 7.620 3.972 ( 0.000 0.000 8.556) 8.556 3.998 ( 0.000 0.000 -0.513) 0.513 4.038 ( 0.000 0.000 -0.523) 0.523 4.458 ( 0.000 0.000 -0.152) 0.152 4.492 ( 0.000 0.000 -3.865) 3.865 4.531 ( 0.000 0.000 7.787) 7.787 4.738 ( 0.000 0.000 4.574) 4.574 4.805 ( 0.000 0.000 -7.087) 7.087 4.966 ( 0.000 0.000 3.718) 3.718 5.084 ( 0.000 0.000 -3.076) 3.076 5.271 ( 0.000 0.000 1.488) 1.488 5.319 ( 0.000 0.000 -1.666) 1.666 5.323 ( 0.000 0.000 -4.484) 4.484 5.439 ( 0.000 0.000 -1.276) 1.276 5.587 ( 0.000 0.000 4.420) 4.420 5.697 ( 0.000 0.000 0.771) 0.771 6.549 ( 0.000 0.000 0.929) 0.929 6.612 ( 0.000 0.000 0.018) 0.018 ======================= Grid point 78 (26/96) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 9.734 0.000 9.689) 13.734 0.415 ( 13.909 0.000 5.441) 14.936 0.609 ( 14.419 0.000 14.015) 20.108 0.756 ( 2.339 0.000 -1.575) 2.820 0.812 ( 6.072 0.000 -2.396) 6.528 1.012 ( -0.690 0.000 0.415) 0.805 1.078 ( -1.286 0.000 -0.728) 1.478 1.301 ( -2.738 0.000 5.897) 6.502 1.623 ( -2.899 0.000 -6.375) 7.003 2.021 ( -9.589 0.000 1.471) 9.701 2.053 ( 0.911 0.000 0.690) 1.143 2.397 ( 6.723 0.000 6.645) 9.453 2.530 ( -5.780 0.000 -3.434) 6.723 2.782 ( 17.291 0.000 -4.536) 17.876 3.056 ( 17.860 0.000 -19.773) 26.645 3.246 ( -1.442 0.000 2.489) 2.877 3.271 ( -1.043 0.000 -8.218) 8.284 3.673 ( 5.077 0.000 -10.033) 11.245 3.911 ( -1.906 0.000 8.476) 8.687 3.974 ( -1.804 0.000 -1.859) 2.590 4.048 ( 0.362 0.000 -0.948) 1.015 4.310 ( -9.280 0.000 -0.760) 9.311 4.500 ( -2.664 0.000 7.874) 8.313 4.616 ( 5.422 0.000 -4.278) 6.906 4.740 ( 0.631 0.000 1.171) 1.330 4.819 ( 0.651 0.000 -3.292) 3.356 4.965 ( -1.256 0.000 0.777) 1.477 4.970 ( -8.995 0.000 -1.485) 9.117 5.351 ( 1.953 0.000 -1.853) 2.693 5.357 ( 6.080 0.000 0.191) 6.083 5.371 ( 2.071 0.000 -3.384) 3.967 5.461 ( 2.125 0.000 -1.129) 2.407 5.660 ( 7.026 0.000 -0.898) 7.083 5.742 ( 4.869 0.000 1.117) 4.995 6.331 ( -13.780 0.000 13.810) 19.509 6.578 ( -3.910 0.000 -0.025) 3.910 ======================= Grid point 79 (27/96) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 5.770 0.000 13.956) 15.102 0.663 ( 11.359 0.000 1.861) 11.511 0.813 ( 3.379 0.000 -0.778) 3.467 0.849 ( 3.848 0.000 1.408) 4.097 0.964 ( 9.016 0.000 -0.434) 9.026 0.991 ( -1.422 0.000 0.333) 1.460 1.042 ( -2.603 0.000 -0.506) 2.651 1.328 ( 8.444 0.000 7.425) 11.244 1.491 ( -8.089 0.000 -0.741) 8.123 1.888 ( -2.816 0.000 4.638) 5.426 2.042 ( -2.698 0.000 -1.108) 2.917 2.344 ( -12.779 0.000 -3.076) 13.144 2.580 ( 12.099 0.000 5.545) 13.309 3.069 ( 8.514 0.000 -5.124) 9.937 3.195 ( 0.416 0.000 -6.243) 6.257 3.221 ( -4.795 0.000 -4.087) 6.301 3.293 ( 9.526 0.000 0.159) 9.528 3.782 ( 3.882 0.000 -11.802) 12.424 3.938 ( 3.532 0.000 2.282) 4.206 3.945 ( -0.985 0.000 -4.339) 4.450 4.037 ( -1.723 0.000 -2.559) 3.086 4.138 ( -7.953 0.000 0.907) 8.004 4.464 ( -0.348 0.000 7.445) 7.453 4.683 ( 2.097 0.000 -6.611) 6.936 4.755 ( 0.724 0.000 -4.051) 4.115 4.789 ( -9.513 0.000 0.072) 9.513 4.824 ( 0.278 0.000 2.021) 2.041 4.941 ( -1.050 0.000 3.048) 3.224 5.359 ( -0.830 0.000 -0.963) 1.271 5.378 ( -0.806 0.000 -2.233) 2.374 5.459 ( 4.408 0.000 -0.338) 4.421 5.505 ( 2.160 0.000 -0.880) 2.333 5.801 ( 6.966 0.000 -1.576) 7.142 5.876 ( 8.903 0.000 1.593) 9.045 6.136 ( -7.107 0.000 11.888) 13.851 6.468 ( -7.546 0.000 0.453) 7.560 ======================= Grid point 80 (28/96) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 7.128 0.000 10.383) 12.594 0.779 ( -7.439 0.000 4.628) 8.761 0.834 ( 6.439 0.000 0.541) 6.462 0.871 ( 2.158 0.000 -0.045) 2.159 0.961 ( -1.443 0.000 0.119) 1.448 0.981 ( -3.422 0.000 -0.204) 3.428 1.129 ( 8.297 0.000 2.992) 8.820 1.292 ( -8.938 0.000 4.445) 9.983 1.643 ( 17.640 0.000 0.068) 17.641 1.887 ( -1.674 0.000 3.994) 4.331 1.964 ( -2.968 0.000 -1.763) 3.452 2.081 ( -12.742 0.000 0.136) 12.743 2.834 ( 13.839 0.000 3.585) 14.295 3.074 ( -10.687 0.000 0.477) 10.698 3.136 ( 1.804 0.000 -3.412) 3.860 3.173 ( -1.971 0.000 -3.324) 3.864 3.545 ( 13.601 0.000 -2.729) 13.872 3.753 ( -7.264 0.000 -7.767) 10.634 3.947 ( 1.345 0.000 -5.437) 5.600 3.990 ( -2.776 0.000 -4.271) 5.094 3.998 ( 2.493 0.000 -0.353) 2.518 4.041 ( -2.512 0.000 0.948) 2.685 4.502 ( 4.391 0.000 5.197) 6.803 4.621 ( -7.844 0.000 2.297) 8.174 4.717 ( 1.989 0.000 -7.582) 7.838 4.754 ( -1.296 0.000 -6.655) 6.780 4.851 ( 2.805 0.000 4.417) 5.233 4.909 ( -2.603 0.000 4.110) 4.865 5.345 ( -0.245 0.000 -1.478) 1.498 5.355 ( -1.218 0.000 -1.872) 2.233 5.520 ( 1.910 0.000 -0.545) 1.986 5.533 ( 0.506 0.000 -0.692) 0.858 5.915 ( 5.119 0.000 2.012) 5.500 5.996 ( -2.155 0.000 5.152) 5.585 6.103 ( 8.332 0.000 3.265) 8.949 6.297 ( -10.143 0.000 1.244) 10.219 ======================= Grid point 84 (29/96) ======================= q-point: ( 0.00 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 0.000 9.024 6.817) 11.309 0.398 ( 0.000 15.303 1.605) 15.387 0.705 ( 0.000 13.832 11.228) 17.816 0.772 ( 0.000 5.614 2.028) 5.969 0.791 ( 0.000 5.394 -1.420) 5.578 1.135 ( 0.000 10.057 0.197) 10.059 1.204 ( 0.000 7.909 -1.825) 8.116 1.417 ( 0.000 7.761 10.069) 12.713 1.557 ( 0.000 5.798 -3.853) 6.961 1.974 ( 0.000 -2.290 3.261) 3.985 2.108 ( 0.000 -4.934 -2.968) 5.758 2.525 ( 0.000 5.357 0.070) 5.358 2.608 ( 0.000 -2.919 -5.979) 6.653 2.715 ( 0.000 2.715 -2.159) 3.469 2.985 ( 0.000 19.978 -24.237) 31.409 3.272 ( 0.000 -0.766 -9.815) 9.845 3.321 ( 0.000 5.400 1.009) 5.494 3.592 ( 0.000 -5.043 -5.424) 7.406 3.800 ( 0.000 -8.446 3.345) 9.084 4.042 ( 0.000 1.751 -3.235) 3.678 4.087 ( 0.000 2.779 3.446) 4.427 4.397 ( 0.000 -7.589 3.485) 8.351 4.470 ( 0.000 -2.296 -3.478) 4.167 4.490 ( 0.000 -1.196 3.709) 3.897 4.727 ( 0.000 -8.158 -7.175) 10.865 4.766 ( 0.000 1.894 4.202) 4.610 4.814 ( 0.000 -9.935 2.206) 10.176 5.068 ( 0.000 -13.279 7.701) 15.350 5.209 ( 0.000 -2.679 -3.102) 4.099 5.271 ( 0.000 -0.472 -0.139) 0.492 5.342 ( 0.000 1.048 -4.308) 4.433 5.353 ( 0.000 2.584 -0.882) 2.731 5.684 ( 0.000 -0.841 1.694) 1.891 5.888 ( 0.000 12.656 -4.381) 13.393 6.375 ( 0.000 -8.420 10.824) 13.714 6.581 ( 0.000 -2.938 0.070) 2.939 ======================= Grid point 85 (30/96) ======================= q-point: ( 0.14 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 8.242 3.720 5.590) 10.630 0.483 ( 5.199 7.981 7.056) 11.854 0.741 ( 2.425 2.927 0.770) 3.878 0.853 ( 9.170 12.565 6.429) 16.831 0.877 ( 6.486 5.549 -1.802) 8.723 1.133 ( -0.520 9.552 0.325) 9.572 1.187 ( -1.779 7.942 -1.564) 8.288 1.340 ( -3.488 7.883 6.111) 10.566 1.578 ( -1.786 -0.582 1.071) 2.163 1.964 ( -2.207 -1.739 0.822) 2.928 2.022 ( -3.215 -0.435 1.103) 3.427 2.498 ( -5.521 -1.236 -3.858) 6.848 2.578 ( -5.606 6.975 -0.007) 8.949 2.757 ( 13.864 -2.172 -2.538) 14.261 3.166 ( 8.708 5.462 -16.124) 19.122 3.248 ( -2.202 0.844 -5.868) 6.324 3.331 ( 1.297 5.352 -0.987) 5.595 3.640 ( 4.456 -5.097 -6.799) 9.594 3.782 ( -0.474 -8.146 1.276) 8.259 3.987 ( -3.981 -0.261 -0.137) 3.992 4.081 ( -1.236 2.631 -0.342) 2.927 4.287 ( -9.363 -3.451 0.489) 9.991 4.355 ( -5.123 -9.709 3.467) 11.512 4.614 ( 4.732 -2.770 -1.519) 5.690 4.726 ( -1.380 -4.852 -6.055) 7.881 4.785 ( 1.041 -1.219 3.454) 3.808 4.833 ( 2.634 -4.464 1.591) 5.422 5.024 ( -4.545 -4.812 3.977) 7.722 5.215 ( 3.028 -9.265 -0.871) 9.786 5.318 ( 2.174 -1.797 -1.074) 3.018 5.382 ( 3.623 -0.373 -3.135) 4.806 5.418 ( 4.789 2.236 0.258) 5.291 5.722 ( 4.421 0.066 1.090) 4.554 5.896 ( 0.841 10.007 -3.644) 10.683 6.284 ( -7.164 -2.350 11.335) 13.613 6.553 ( -3.210 -2.354 -0.014) 3.981 ======================= Grid point 86 (31/96) ======================= q-point: ( 0.29 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 6.420 1.251 9.476) 11.514 0.598 ( 7.610 0.330 3.083) 8.218 0.811 ( 4.694 1.315 0.667) 4.920 0.942 ( -0.665 4.297 1.503) 4.600 1.018 ( 7.081 4.500 1.050) 8.455 1.106 ( -2.421 7.958 0.973) 8.374 1.136 ( -3.503 8.235 -0.678) 8.974 1.407 ( 11.004 7.074 1.931) 13.224 1.473 ( -7.577 0.866 4.447) 8.828 1.919 ( -0.288 2.711 2.011) 3.388 2.023 ( 0.390 0.146 0.688) 0.804 2.330 ( -11.690 -1.217 -3.065) 12.146 2.577 ( 4.974 0.551 2.676) 5.676 2.971 ( 5.107 -8.954 -2.784) 10.678 3.212 ( -0.684 3.669 -2.914) 4.735 3.255 ( 2.579 1.687 -7.672) 8.268 3.374 ( 3.854 5.634 0.582) 6.851 3.723 ( 3.009 -7.120 -6.900) 10.361 3.816 ( 3.458 -7.698 -5.010) 9.814 3.910 ( -4.589 -6.987 -2.791) 8.813 4.020 ( -4.315 0.392 -0.107) 4.334 4.139 ( -5.367 -1.154 2.088) 5.873 4.273 ( -2.571 -13.183 3.681) 13.927 4.593 ( -6.806 -9.322 -4.951) 12.559 4.736 ( 3.221 0.861 -2.447) 4.136 4.812 ( 2.075 0.884 2.937) 3.703 4.869 ( 0.330 1.764 -0.155) 1.801 4.964 ( -1.382 -1.141 3.198) 3.666 5.278 ( 2.782 -7.140 -1.688) 7.847 5.336 ( -0.213 -3.032 -2.745) 4.096 5.448 ( 3.093 -1.971 1.751) 4.064 5.490 ( 2.491 0.979 1.807) 3.229 5.844 ( 7.134 1.047 -0.347) 7.219 5.929 ( 3.199 4.182 -0.928) 5.346 6.165 ( -4.811 2.892 7.960) 9.740 6.458 ( -6.676 -0.916 0.220) 6.742 ======================= Grid point 87 (32/96) ======================= q-point: ( 0.43 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 4.330 1.166 8.558) 9.662 0.690 ( 0.334 -2.546 3.575) 4.402 0.899 ( 3.588 2.625 0.337) 4.458 0.918 ( 0.099 3.776 1.440) 4.043 1.049 ( -2.543 5.082 1.800) 5.961 1.058 ( -2.865 6.401 1.638) 7.202 1.161 ( 6.908 3.760 2.408) 8.225 1.308 ( -8.436 0.847 3.114) 9.033 1.693 ( 16.120 5.512 -0.339) 17.040 1.928 ( -3.519 3.280 1.020) 4.917 2.003 ( -0.382 3.873 -0.518) 3.927 2.098 ( -10.279 1.696 0.551) 10.432 2.731 ( 10.153 -7.224 2.405) 12.691 2.918 ( -8.231 -10.580 0.096) 13.405 3.230 ( 2.042 6.787 -2.312) 7.455 3.270 ( -1.381 6.263 -3.679) 7.394 3.513 ( 9.883 -3.811 -2.225) 10.823 3.692 ( -7.439 -7.141 -6.290) 12.078 3.849 ( 0.296 -9.908 -4.478) 10.877 3.860 ( 0.263 -7.134 -6.047) 9.355 3.992 ( 1.570 -1.678 2.257) 3.222 4.054 ( -4.186 -1.955 1.724) 4.931 4.292 ( 4.879 -12.857 1.286) 13.812 4.433 ( -8.893 -10.758 -2.336) 14.152 4.802 ( 3.255 3.329 -2.232) 5.163 4.850 ( -1.258 3.596 -2.252) 4.425 4.871 ( 3.113 1.020 2.883) 4.364 4.934 ( -2.558 0.220 2.678) 3.710 5.311 ( 0.934 -3.019 -2.411) 3.975 5.325 ( -0.660 -2.609 -2.871) 3.935 5.497 ( 1.902 -2.478 3.356) 4.584 5.514 ( 0.132 -1.137 2.628) 2.867 5.942 ( 3.764 1.690 0.205) 4.131 5.993 ( -0.078 -0.350 2.763) 2.786 6.149 ( 5.446 3.969 2.292) 7.118 6.306 ( -8.964 0.884 0.748) 9.039 ======================= Grid point 91 (33/96) ======================= q-point: ( 0.00 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 11.581 2.317) 11.810 0.671 ( 0.000 11.277 -0.635) 11.295 0.850 ( 0.000 6.097 -1.114) 6.198 0.928 ( 0.000 7.390 -0.429) 7.403 1.047 ( 0.000 11.506 7.604) 13.792 1.351 ( 0.000 9.708 -0.227) 9.710 1.379 ( 0.000 11.137 -1.691) 11.265 1.664 ( 0.000 14.867 8.699) 17.225 1.717 ( 0.000 9.385 -3.885) 10.157 1.907 ( 0.000 -4.316 3.045) 5.282 1.973 ( 0.000 -7.689 -0.456) 7.702 2.510 ( 0.000 -6.524 -4.823) 8.114 2.680 ( 0.000 10.066 -0.684) 10.090 2.820 ( 0.000 7.483 -2.184) 7.796 3.164 ( 0.000 2.979 -14.839) 15.135 3.192 ( 0.000 -9.108 -10.314) 13.760 3.445 ( 0.000 5.538 1.970) 5.878 3.458 ( 0.000 -4.182 3.816) 5.661 3.688 ( 0.000 -3.779 -2.633) 4.606 4.093 ( 0.000 1.275 -9.832) 9.914 4.104 ( 0.000 -2.149 2.118) 3.017 4.222 ( 0.000 -7.022 5.461) 8.896 4.383 ( 0.000 -7.796 -2.270) 8.120 4.469 ( 0.000 -14.384 -4.264) 15.003 4.474 ( 0.000 -0.498 1.675) 1.748 4.605 ( 0.000 -8.884 1.892) 9.083 4.791 ( 0.000 0.193 2.846) 2.852 4.808 ( 0.000 -10.532 8.803) 13.727 5.125 ( 0.000 -6.981 2.938) 7.574 5.228 ( 0.000 -4.267 -3.680) 5.635 5.353 ( 0.000 -0.258 -4.037) 4.045 5.379 ( 0.000 -0.940 2.747) 2.904 5.696 ( 0.000 2.846 1.316) 3.136 6.008 ( 0.000 0.293 -3.585) 3.596 6.321 ( 0.000 1.576 5.568) 5.787 6.500 ( 0.000 -4.912 0.400) 4.928 ======================= Grid point 92 (34/96) ======================= q-point: ( 0.14 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 1.224 10.825 1.312) 10.972 0.665 ( -0.025 9.400 1.204) 9.477 0.826 ( -0.070 5.572 0.422) 5.589 1.000 ( 4.818 5.809 -0.748) 7.583 1.070 ( 0.848 7.561 6.223) 9.829 1.320 ( -2.209 9.087 -0.551) 9.368 1.392 ( -0.375 11.405 -2.166) 11.615 1.570 ( -7.673 8.164 -0.707) 11.226 1.641 ( -3.450 8.607 9.253) 13.100 1.973 ( 1.774 1.940 -0.275) 2.644 2.001 ( 4.315 -1.105 -0.107) 4.455 2.443 ( -5.919 -4.101 -4.564) 8.525 2.708 ( -5.593 6.128 -2.158) 8.573 2.752 ( 2.979 3.699 -0.669) 4.796 3.197 ( 0.995 -4.264 -8.768) 9.800 3.224 ( 3.337 -2.474 -7.913) 8.937 3.469 ( 0.948 -7.354 1.992) 7.677 3.475 ( 2.809 7.045 1.013) 7.651 3.676 ( -0.082 -2.680 -4.190) 4.974 3.944 ( -11.512 -4.837 -3.947) 13.096 4.064 ( -6.253 -9.069 0.965) 11.058 4.157 ( -4.140 0.313 1.062) 4.285 4.278 ( -8.711 -1.302 0.246) 8.811 4.480 ( -0.811 -10.914 -3.284) 11.427 4.531 ( 7.198 -10.854 0.354) 13.028 4.727 ( 6.059 -4.822 -0.665) 7.772 4.810 ( 3.899 -1.971 4.160) 6.033 4.832 ( 1.018 -6.838 6.358) 9.393 5.109 ( 0.147 -5.082 -0.719) 5.134 5.247 ( 0.925 -5.839 -2.239) 6.322 5.372 ( 1.980 -1.001 -1.029) 2.445 5.419 ( 2.904 -2.640 4.085) 5.665 5.748 ( 5.287 3.223 0.320) 6.201 5.992 ( -1.380 0.428 -3.203) 3.514 6.293 ( -2.542 2.539 4.598) 5.835 6.487 ( -1.623 -4.050 0.119) 4.365 ======================= Grid point 93 (35/96) ======================= q-point: ( 0.29 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 4.580 6.169 1.551) 7.838 0.685 ( 2.101 6.276 1.999) 6.914 0.866 ( 3.868 3.888 1.233) 5.621 1.027 ( -2.896 5.034 4.206) 7.171 1.085 ( 2.066 1.993 2.015) 3.507 1.271 ( -3.310 8.246 -0.343) 8.892 1.337 ( -4.061 9.574 0.406) 10.408 1.414 ( -7.995 -1.435 1.338) 8.232 1.694 ( 7.853 13.553 4.117) 16.196 1.994 ( 1.309 5.127 -1.390) 5.471 2.073 ( 2.548 3.633 0.069) 4.438 2.303 ( -8.529 -1.144 -2.942) 9.094 2.615 ( -2.398 3.107 0.281) 3.935 2.797 ( -0.881 -6.363 -1.575) 6.614 3.206 ( 1.095 -6.282 -1.803) 6.627 3.290 ( 4.041 0.629 -3.531) 5.403 3.481 ( 0.317 -4.615 -3.810) 5.993 3.546 ( 3.641 2.157 -0.844) 4.316 3.676 ( -5.984 -9.297 -4.582) 11.968 3.735 ( -4.143 -4.590 -4.221) 7.487 3.948 ( -4.382 -9.870 2.178) 11.017 4.054 ( -5.998 -2.271 0.722) 6.454 4.150 ( -4.319 -0.849 2.943) 5.295 4.419 ( -6.015 -7.301 -4.113) 10.315 4.661 ( 6.341 -8.634 -1.250) 10.785 4.813 ( 3.933 -5.109 0.316) 6.455 4.835 ( 0.669 -4.215 3.714) 5.658 4.905 ( 3.184 0.402 1.344) 3.479 5.150 ( 3.625 -6.247 -1.988) 7.491 5.256 ( 0.301 -5.046 -2.405) 5.598 5.412 ( 1.791 -2.837 4.344) 5.489 5.456 ( 0.655 -4.723 6.146) 7.778 5.875 ( 7.167 2.886 -0.823) 7.770 5.974 ( 0.014 0.846 -2.423) 2.567 6.240 ( -2.607 3.625 2.393) 5.066 6.430 ( -4.397 -1.911 -0.273) 4.802 ======================= Grid point 94 (36/96) ======================= q-point: ( 0.43 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 3.479 3.999 3.408) 6.302 0.722 ( 0.593 4.942 2.575) 5.604 0.946 ( 3.787 1.753 0.471) 4.200 0.994 ( -0.423 4.161 2.351) 4.798 1.100 ( 0.859 0.795 3.252) 3.456 1.185 ( -6.179 4.817 2.733) 8.297 1.278 ( -0.430 5.702 1.675) 5.958 1.311 ( -3.147 0.471 1.788) 3.650 1.866 ( 9.195 10.254 -1.261) 13.830 2.002 ( -2.860 4.292 -2.492) 5.728 2.100 ( 1.018 4.627 -0.506) 4.765 2.153 ( -5.491 3.827 0.695) 6.729 2.622 ( 3.017 -2.877 1.269) 4.358 2.717 ( -6.089 -7.729 0.597) 9.857 3.280 ( 6.545 -10.826 -2.409) 12.878 3.381 ( 5.246 5.219 -2.384) 7.775 3.432 ( -7.717 -6.987 -4.724) 11.431 3.480 ( -5.646 -2.559 -3.323) 7.033 3.647 ( 3.702 -8.654 -1.883) 9.600 3.707 ( -2.340 -7.812 -3.314) 8.803 3.926 ( 0.733 -4.840 0.232) 4.901 3.959 ( -3.393 -3.669 1.011) 5.099 4.139 ( 3.822 -2.900 2.458) 5.390 4.270 ( -8.584 -5.322 -1.796) 10.259 4.771 ( 4.960 -6.909 -1.413) 8.621 4.834 ( -1.302 -6.994 0.995) 7.183 4.879 ( 2.646 -0.041 -0.916) 2.800 4.919 ( -1.199 0.333 -0.152) 1.254 5.222 ( 3.419 -5.906 -1.854) 7.071 5.260 ( -0.424 -3.979 -1.974) 4.462 5.435 ( 0.772 -4.481 7.378) 8.667 5.450 ( -0.846 -5.612 7.745) 9.602 5.973 ( 2.727 1.894 -1.752) 3.754 5.995 ( 0.958 0.984 -0.525) 1.470 6.229 ( 2.612 3.286 0.138) 4.200 6.326 ( -6.170 0.711 -0.417) 6.225 ======================= Grid point 98 (37/96) ======================= q-point: ( 0.00 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 10.643 0.858) 10.678 0.862 ( 0.000 7.812 -0.945) 7.869 0.963 ( 0.000 5.027 -0.682) 5.073 1.057 ( 0.000 4.546 0.142) 4.548 1.187 ( 0.000 3.934 5.653) 6.887 1.500 ( 0.000 5.005 -0.002) 5.005 1.634 ( 0.000 9.341 -1.074) 9.403 1.812 ( 0.000 -6.073 0.015) 6.073 1.825 ( 0.000 -0.813 0.363) 0.890 1.916 ( 0.000 7.668 -2.168) 7.968 1.966 ( 0.000 13.895 6.892) 15.510 2.361 ( 0.000 -7.444 -3.441) 8.201 2.907 ( 0.000 -6.079 -3.427) 6.978 2.919 ( 0.000 12.724 -1.975) 12.876 3.078 ( 0.000 7.507 -4.675) 8.844 3.183 ( 0.000 -0.993 -11.142) 11.186 3.378 ( 0.000 -6.119 3.524) 7.062 3.498 ( 0.000 -2.110 2.296) 3.118 3.648 ( 0.000 0.387 -1.877) 1.917 3.988 ( 0.000 -6.202 1.823) 6.464 4.017 ( 0.000 -6.345 -8.908) 10.937 4.159 ( 0.000 -9.348 -1.352) 9.445 4.166 ( 0.000 -0.761 2.098) 2.232 4.315 ( 0.000 -3.902 -0.899) 4.004 4.477 ( 0.000 -4.447 1.514) 4.698 4.478 ( 0.000 0.928 3.040) 3.179 4.618 ( 0.000 -8.037 9.194) 12.212 4.766 ( 0.000 -2.678 0.944) 2.840 4.944 ( 0.000 -10.023 4.909) 11.160 5.093 ( 0.000 -8.866 -4.093) 9.765 5.319 ( 0.000 -4.154 4.761) 6.318 5.331 ( 0.000 -1.818 -4.289) 4.659 5.794 ( 0.000 6.118 -1.663) 6.340 5.976 ( 0.000 -2.385 -3.341) 4.104 6.354 ( 0.000 0.686 2.131) 2.239 6.389 ( 0.000 -5.867 1.299) 6.009 ======================= Grid point 99 (38/96) ======================= q-point: ( 0.14 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.699 10.292 0.118) 10.316 0.848 ( -1.116 8.127 -0.654) 8.230 0.941 ( -0.658 5.304 -0.010) 5.345 1.094 ( 2.422 3.241 -0.133) 4.049 1.180 ( -1.117 3.950 5.180) 6.609 1.462 ( -3.700 4.105 -0.264) 5.533 1.562 ( -7.826 1.930 0.427) 8.072 1.658 ( -9.457 4.134 0.001) 10.321 1.830 ( 3.361 6.443 1.895) 7.510 2.018 ( 3.932 6.713 3.371) 8.479 2.066 ( 8.044 4.930 -2.547) 9.773 2.342 ( -1.813 -4.830 -2.830) 5.885 2.853 ( -6.963 1.919 -4.344) 8.428 2.867 ( -4.868 9.527 -4.066) 11.445 3.064 ( 2.342 -3.764 -2.215) 4.956 3.142 ( -5.132 -3.576 -0.164) 6.257 3.384 ( 0.108 -3.205 -3.237) 4.557 3.524 ( 1.673 -4.329 0.437) 4.661 3.692 ( 4.572 2.688 -2.113) 5.709 3.841 ( -13.369 -1.587 -3.425) 13.892 3.914 ( -7.370 -4.891 1.082) 8.911 4.111 ( -3.224 -8.038 -3.039) 9.179 4.237 ( 0.715 -4.092 -0.226) 4.160 4.281 ( -3.288 -2.530 -0.001) 4.149 4.380 ( 0.565 -4.553 5.706) 7.321 4.584 ( 3.009 -7.857 2.928) 8.908 4.713 ( 7.662 -3.593 2.392) 8.794 4.791 ( 3.026 -2.886 1.141) 4.335 4.972 ( 1.396 -7.967 0.685) 8.117 5.091 ( 0.966 -8.987 -1.622) 9.183 5.313 ( -0.433 -6.492 7.489) 9.921 5.333 ( -0.398 -3.534 -2.310) 4.240 5.847 ( 5.079 5.867 -1.846) 7.976 5.977 ( 0.389 -0.942 -3.505) 3.650 6.334 ( -1.937 0.783 1.608) 2.636 6.394 ( 0.153 -4.896 0.635) 4.939 ======================= Grid point 100 (39/96) ======================= q-point: ( 0.29 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.298 8.131 -0.144) 8.138 0.839 ( 0.626 8.110 -0.396) 8.144 0.959 ( 2.083 4.832 -0.263) 5.268 1.120 ( -1.005 2.143 2.479) 3.428 1.134 ( -2.437 4.682 2.671) 5.916 1.355 ( -7.800 -3.152 2.011) 8.649 1.413 ( -5.673 4.899 -0.449) 7.509 1.495 ( -7.860 4.282 0.993) 9.005 1.929 ( 6.214 9.487 1.073) 11.391 2.082 ( 2.474 2.704 -0.276) 3.675 2.171 ( 2.725 5.938 -3.933) 7.626 2.302 ( -2.164 1.445 -1.213) 2.871 2.689 ( -7.824 2.909 -2.559) 8.731 2.762 ( -6.711 3.796 -1.610) 7.877 3.030 ( -4.114 -8.794 2.298) 9.978 3.172 ( 7.477 -7.651 -0.220) 10.700 3.339 ( -6.861 -9.813 -3.531) 12.483 3.513 ( -1.481 -3.517 -5.821) 6.960 3.652 ( -4.483 4.540 0.773) 6.427 3.773 ( -6.077 -5.691 1.151) 8.405 3.805 ( 4.881 6.181 -4.095) 8.877 3.978 ( -7.466 -4.681 -0.371) 8.820 4.162 ( -4.347 1.492 2.770) 5.366 4.301 ( -2.040 -4.773 -2.512) 5.767 4.433 ( 6.237 -11.393 2.862) 13.300 4.641 ( 2.665 -7.988 1.625) 8.576 4.797 ( 2.523 -3.147 -1.115) 4.185 4.877 ( 2.792 -3.714 0.317) 4.657 4.997 ( 2.984 -8.397 -1.353) 9.014 5.134 ( 2.542 -6.687 0.080) 7.154 5.306 ( -0.233 -7.996 8.565) 11.719 5.308 ( -1.938 -8.525 5.148) 10.146 5.960 ( 5.905 4.933 -1.916) 7.929 5.997 ( 1.700 1.671 -3.540) 4.267 6.290 ( -2.277 1.238 0.372) 2.618 6.381 ( -1.775 -2.885 -0.622) 3.444 ======================= Grid point 101 (40/96) ======================= q-point: ( 0.43 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 3.558 6.143 0.852) 7.150 0.856 ( -0.907 7.436 0.276) 7.496 0.992 ( 2.318 3.199 -0.057) 3.951 1.080 ( -3.874 3.926 0.795) 5.573 1.108 ( 1.872 0.481 3.435) 3.942 1.208 ( -7.024 -1.580 2.722) 7.697 1.346 ( -1.025 3.117 0.055) 3.282 1.378 ( -4.043 3.327 1.497) 5.446 2.038 ( 4.713 6.406 -1.887) 8.174 2.100 ( -1.311 3.907 -2.491) 4.816 2.197 ( 2.018 6.423 -2.881) 7.323 2.257 ( -3.030 5.910 -1.023) 6.720 2.599 ( -1.268 -0.125 0.771) 1.489 2.639 ( -5.078 -0.091 2.125) 5.506 3.023 ( 3.276 -10.389 -1.723) 11.029 3.142 ( -8.757 -11.882 -2.666) 14.999 3.362 ( 9.754 -9.986 0.128) 13.960 3.515 ( -1.934 -7.038 -2.887) 7.849 3.581 ( -2.674 5.616 -1.168) 6.329 3.634 ( -6.157 2.926 -0.347) 6.826 3.891 ( 2.454 1.196 -4.719) 5.452 3.904 ( -0.567 -1.963 -1.527) 2.551 4.123 ( 1.036 0.848 4.296) 4.500 4.203 ( -6.227 -1.430 0.696) 6.427 4.569 ( 6.504 -11.593 -1.658) 13.396 4.654 ( -1.969 -9.703 -1.472) 10.010 4.843 ( 2.379 -3.746 -0.661) 4.486 4.880 ( -1.300 -4.249 -0.554) 4.478 5.079 ( 4.637 -8.121 0.742) 9.381 5.150 ( -1.814 -7.071 -0.294) 7.306 5.284 ( 0.217 -9.850 9.212) 13.489 5.300 ( -0.727 -8.650 9.585) 12.932 6.029 ( 1.991 3.390 -2.623) 4.726 6.042 ( 1.404 3.532 -1.713) 4.169 6.273 ( 1.263 1.140 -1.237) 2.104 6.328 ( -3.483 -0.540 -1.465) 3.817 ======================= Grid point 105 (41/96) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 6.557 0.536) 6.579 0.998 ( 0.000 5.792 -0.578) 5.820 1.070 ( 0.000 6.000 -1.523) 6.191 1.100 ( 0.000 -0.010 0.320) 0.320 1.246 ( 0.000 2.143 5.269) 5.688 1.560 ( 0.000 0.904 0.251) 0.938 1.620 ( 0.000 -4.543 2.893) 5.386 1.685 ( 0.000 -6.687 0.849) 6.741 1.981 ( 0.000 10.173 -5.863) 11.742 2.046 ( 0.000 4.972 -2.122) 5.405 2.191 ( 0.000 7.329 3.861) 8.284 2.246 ( 0.000 -3.164 -2.597) 4.093 2.808 ( 0.000 -0.755 -2.184) 2.311 3.044 ( 0.000 -4.475 -7.636) 8.851 3.171 ( 0.000 -6.894 0.120) 6.895 3.238 ( 0.000 9.691 -2.038) 9.903 3.355 ( 0.000 -8.910 1.005) 8.966 3.358 ( 0.000 11.163 -0.126) 11.164 3.672 ( 0.000 1.153 0.465) 1.244 3.904 ( 0.000 -2.186 0.930) 2.375 3.986 ( 0.000 2.263 -2.663) 3.495 4.015 ( 0.000 -5.623 -1.675) 5.867 4.155 ( 0.000 -0.296 -0.701) 0.761 4.219 ( 0.000 -5.638 -2.905) 6.343 4.401 ( 0.000 -3.172 3.562) 4.769 4.498 ( 0.000 -3.838 10.719) 11.385 4.504 ( 0.000 1.151 5.495) 5.615 4.683 ( 0.000 -5.694 -0.229) 5.699 4.762 ( 0.000 -6.623 3.019) 7.279 4.888 ( 0.000 -10.319 -1.367) 10.410 5.240 ( 0.000 -3.073 1.841) 3.582 5.286 ( 0.000 -2.453 -4.493) 5.119 5.917 ( 0.000 5.276 -5.009) 7.275 5.935 ( 0.000 -1.184 -4.185) 4.349 6.272 ( 0.000 -5.114 3.225) 6.046 6.338 ( 0.000 -2.141 1.723) 2.748 ======================= Grid point 106 (42/96) ======================= q-point: ( 0.14 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.526 7.505 -0.242) 7.528 0.986 ( -0.864 5.614 -0.536) 5.706 1.043 ( -1.218 4.965 -0.439) 5.131 1.132 ( 2.199 0.785 -0.469) 2.381 1.239 ( -0.799 1.657 4.593) 4.947 1.475 ( -8.437 -1.379 1.045) 8.613 1.569 ( -4.405 -0.008 0.650) 4.453 1.629 ( -5.426 -6.013 1.112) 8.175 2.000 ( 3.756 9.328 -3.927) 10.796 2.150 ( 7.162 3.232 -2.558) 8.263 2.168 ( -0.939 5.453 2.045) 5.899 2.288 ( 2.836 -0.360 -1.599) 3.275 2.823 ( 0.198 -0.375 -2.911) 2.942 2.933 ( -6.356 -3.508 -2.650) 7.728 3.130 ( -8.802 10.326 -0.106) 13.569 3.240 ( -5.315 5.479 -1.221) 7.730 3.283 ( -1.043 -4.046 -1.992) 4.629 3.344 ( -0.297 -9.331 -0.429) 9.346 3.708 ( 1.665 -0.783 -0.283) 1.862 3.829 ( -11.582 -3.313 -0.331) 12.051 3.864 ( -2.460 -1.087 -0.242) 2.701 4.032 ( 3.214 3.359 -2.391) 5.228 4.127 ( -6.821 -7.453 0.167) 10.105 4.241 ( 2.815 -0.605 -0.835) 2.998 4.368 ( -4.679 1.635 5.811) 7.637 4.453 ( 3.249 -4.471 4.142) 6.907 4.643 ( 8.090 -3.867 3.880) 9.770 4.703 ( 0.673 -5.542 -1.303) 5.733 4.808 ( 1.755 -7.474 0.739) 7.712 4.911 ( 3.953 -7.754 0.395) 8.713 5.179 ( -4.418 -5.707 6.139) 9.475 5.247 ( -4.779 -4.917 -2.415) 7.270 5.958 ( 4.040 3.478 -4.664) 7.083 5.975 ( 3.645 2.040 -4.188) 5.915 6.291 ( 1.475 -4.400 1.771) 4.967 6.327 ( -1.078 -1.821 1.431) 2.555 ======================= Grid point 107 (43/96) ======================= q-point: ( 0.29 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -1.458 8.080 -0.529) 8.228 0.978 ( 0.181 5.293 -0.416) 5.313 1.049 ( 1.489 3.979 -0.370) 4.265 1.166 ( 0.837 1.519 -0.431) 1.787 1.213 ( -2.134 2.351 2.682) 4.156 1.290 ( -9.738 -1.207 1.956) 10.006 1.455 ( -6.776 -1.860 -0.910) 7.085 1.521 ( -5.382 -0.559 1.265) 5.557 2.094 ( 5.127 7.251 -2.342) 9.184 2.166 ( 0.589 5.969 0.291) 6.005 2.264 ( 4.223 2.806 -3.075) 5.930 2.329 ( 1.329 0.296 -2.252) 2.631 2.717 ( -7.941 1.734 -0.382) 8.137 2.911 ( -3.189 4.723 -5.817) 8.143 2.958 ( -6.989 4.621 4.376) 9.453 3.091 ( -3.790 1.281 2.495) 4.715 3.152 ( -9.333 -6.571 -0.253) 11.417 3.399 ( 0.698 -9.857 -5.556) 11.337 3.678 ( -3.661 -3.100 -0.075) 4.798 3.693 ( -2.829 -3.475 0.162) 4.484 3.851 ( 0.466 -0.393 -1.162) 1.312 3.970 ( -3.342 1.402 -2.040) 4.159 4.162 ( 4.082 -3.140 -2.159) 5.584 4.224 ( -2.456 2.049 0.544) 3.245 4.319 ( -0.520 -0.193 4.762) 4.794 4.510 ( 0.852 -4.708 -1.680) 5.071 4.695 ( 0.866 -6.977 -0.371) 7.041 4.777 ( 3.440 -4.803 1.899) 6.206 4.831 ( 2.462 -7.205 0.379) 7.623 4.991 ( 2.582 -7.192 1.155) 7.728 5.126 ( -3.136 -8.137 9.368) 12.798 5.128 ( -4.022 -9.409 4.830) 11.315 6.042 ( 4.010 2.675 -4.245) 6.424 6.057 ( 4.668 4.316 -3.195) 7.115 6.293 ( -1.360 -0.802 0.018) 1.579 6.318 ( 0.144 -3.072 -0.287) 3.088 ======================= Grid point 108 (44/96) ======================= q-point: ( 0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.639 6.951 0.106) 7.435 0.992 ( -0.436 5.049 -0.520) 5.094 1.067 ( 0.205 3.640 -0.878) 3.750 1.136 ( -4.868 1.726 -0.427) 5.183 1.143 ( -1.344 3.020 2.874) 4.380 1.172 ( -2.881 -0.902 2.205) 3.738 1.382 ( 0.053 -0.013 -0.442) 0.446 1.429 ( -4.086 1.097 0.116) 4.232 2.168 ( 2.306 6.423 -2.277) 7.195 2.183 ( 0.737 5.490 -1.420) 5.718 2.310 ( 1.449 3.488 -4.352) 5.762 2.337 ( -0.733 1.186 -3.331) 3.611 2.623 ( -0.953 3.320 2.623) 4.337 2.704 ( -9.684 6.036 1.800) 11.552 2.940 ( 1.143 2.243 -0.398) 2.549 3.004 ( -5.683 -0.810 0.226) 5.745 3.159 ( 7.740 -8.953 0.750) 11.859 3.319 ( -7.908 -11.068 -2.357) 13.806 3.646 ( -0.090 -2.058 -0.411) 2.101 3.658 ( -1.085 -3.340 -0.076) 3.512 3.885 ( 3.270 1.780 -3.064) 4.822 3.943 ( -1.746 2.925 -5.181) 6.200 4.156 ( 0.111 2.095 1.521) 2.591 4.201 ( -3.068 0.255 -2.035) 3.690 4.371 ( 5.461 -5.658 0.156) 7.866 4.468 ( -4.271 -7.736 -4.111) 9.746 4.753 ( 3.948 -4.459 2.673) 6.528 4.796 ( -0.441 -2.178 2.636) 3.447 4.878 ( 2.304 -11.657 2.686) 12.182 4.956 ( -5.532 -11.589 2.891) 13.163 5.087 ( 2.381 -8.785 8.385) 12.375 5.125 ( -0.805 -8.089 7.859) 11.307 6.104 ( 2.433 3.839 -2.811) 5.344 6.121 ( 1.237 3.848 -2.099) 4.555 6.279 ( 0.462 -0.509 -1.813) 1.939 6.305 ( -1.491 -1.704 -1.950) 2.988 ======================= Grid point 112 (45/96) ======================= q-point: ( 0.00 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 2.572 0.139) 2.576 1.074 ( 0.000 -0.676 -0.741) 1.003 1.110 ( 0.000 3.773 1.046) 3.915 1.164 ( 0.000 0.432 -0.807) 0.916 1.308 ( 0.000 6.358 2.792) 6.944 1.485 ( 0.000 -8.996 -0.662) 9.020 1.567 ( 0.000 -0.305 1.648) 1.676 1.585 ( 0.000 -1.665 1.417) 2.186 2.128 ( 0.000 2.999 -1.654) 3.425 2.131 ( 0.000 3.825 -5.056) 6.339 2.231 ( 0.000 0.864 -3.318) 3.429 2.252 ( 0.000 -0.475 -0.456) 0.659 2.872 ( 0.000 5.707 -1.682) 5.950 2.952 ( 0.000 -2.833 -2.945) 4.086 3.039 ( 0.000 -3.560 2.790) 4.523 3.114 ( 0.000 -9.869 1.267) 9.950 3.495 ( 0.000 10.361 0.038) 10.361 3.591 ( 0.000 7.243 -2.392) 7.627 3.681 ( 0.000 1.507 1.893) 2.420 3.855 ( 0.000 -9.730 -0.876) 9.769 3.904 ( 0.000 3.034 0.390) 3.059 4.010 ( 0.000 -4.360 -1.487) 4.606 4.150 ( 0.000 0.781 -4.493) 4.560 4.158 ( 0.000 0.462 -2.876) 2.913 4.374 ( 0.000 2.304 7.185) 7.545 4.470 ( 0.000 1.122 8.907) 8.977 4.497 ( 0.000 -3.628 5.792) 6.835 4.528 ( 0.000 -7.474 4.743) 8.852 4.696 ( 0.000 -0.372 0.217) 0.431 4.732 ( 0.000 -4.263 -0.937) 4.365 5.209 ( 0.000 0.108 -1.725) 1.728 5.237 ( 0.000 -2.207 -3.865) 4.451 5.939 ( 0.000 1.555 -5.625) 5.837 5.973 ( 0.000 -0.369 -7.646) 7.654 6.219 ( 0.000 0.759 5.002) 5.059 6.276 ( 0.000 -3.630 2.766) 4.564 ======================= Grid point 113 (46/96) ======================= q-point: ( 0.14 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.312 3.066 -0.315) 3.350 1.084 ( -0.308 2.879 -0.591) 2.955 1.102 ( 0.202 0.808 0.279) 0.878 1.152 ( -0.933 -0.410 -0.807) 1.300 1.277 ( -2.823 5.149 2.785) 6.499 1.435 ( -4.771 -7.235 -0.639) 8.690 1.507 ( -5.716 0.319 1.607) 5.946 1.553 ( -2.959 -2.151 0.496) 3.691 2.154 ( 3.287 5.008 -2.882) 6.647 2.193 ( 4.646 0.839 -2.178) 5.200 2.244 ( 1.615 2.591 -1.765) 3.527 2.283 ( 2.532 -1.138 -2.373) 3.652 2.878 ( -0.384 4.999 -1.280) 5.175 2.921 ( -1.454 2.264 -0.500) 2.737 3.076 ( 1.900 -8.574 0.270) 8.786 3.094 ( -2.362 -8.247 0.772) 8.614 3.403 ( -8.040 12.052 0.514) 14.497 3.495 ( -10.235 10.645 -1.026) 14.803 3.631 ( -4.501 -7.350 0.299) 8.624 3.708 ( -11.013 -8.341 -0.360) 13.820 3.871 ( -1.569 2.483 0.329) 2.956 3.967 ( -4.174 -6.786 0.397) 7.977 4.163 ( 2.427 7.083 -5.085) 9.051 4.245 ( 5.192 -0.621 -3.013) 6.035 4.406 ( 0.192 1.892 6.823) 7.083 4.434 ( 0.290 3.677 3.333) 4.971 4.530 ( 2.053 -8.311 2.133) 8.823 4.549 ( 1.288 -6.953 5.513) 8.966 4.743 ( 3.824 0.926 0.948) 4.047 4.796 ( 5.665 -3.913 0.611) 6.912 5.109 ( -8.292 -0.671 2.274) 8.624 5.149 ( -8.454 -4.066 -0.973) 9.431 5.996 ( 5.093 2.145 -5.974) 8.138 6.027 ( 4.690 0.271 -7.135) 8.543 6.237 ( 1.549 -0.047 3.793) 4.098 6.276 ( -0.028 -2.891 2.338) 3.718 ======================= Grid point 114 (47/96) ======================= q-point: ( 0.29 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -1.024 3.418 -0.194) 3.573 1.068 ( -0.912 5.208 -0.970) 5.375 1.106 ( 0.057 0.232 -0.991) 1.020 1.146 ( -0.282 -2.679 0.136) 2.697 1.232 ( -1.375 2.943 1.514) 3.584 1.335 ( -4.542 -3.270 -0.567) 5.625 1.385 ( -6.265 2.489 1.148) 6.838 1.481 ( -4.474 -3.826 0.100) 5.887 2.227 ( 3.823 5.026 -2.178) 6.680 2.276 ( 3.106 2.115 -0.738) 3.830 2.284 ( 2.741 1.401 -1.209) 3.307 2.328 ( 1.918 -0.552 -3.404) 3.946 2.819 ( -4.698 8.471 0.852) 9.724 2.933 ( 1.315 0.173 -0.547) 1.435 2.992 ( -8.219 -2.272 -0.587) 8.547 3.062 ( -3.994 -9.202 -0.058) 10.032 3.274 ( -4.883 6.480 0.164) 8.116 3.280 ( -9.694 13.280 0.678) 16.456 3.512 ( -6.001 -12.443 0.225) 13.816 3.539 ( -5.746 -10.929 0.848) 12.377 3.888 ( 3.185 2.795 -2.556) 4.949 3.939 ( 1.739 -2.421 -2.487) 3.882 4.191 ( -0.112 4.941 -5.962) 7.744 4.287 ( -2.445 -1.050 -6.913) 7.407 4.363 ( -0.874 5.492 6.652) 8.671 4.474 ( -0.619 3.116 0.082) 3.178 4.528 ( 1.821 -8.814 4.141) 9.907 4.624 ( 3.442 -9.018 1.489) 9.767 4.804 ( 2.123 3.035 2.058) 4.237 4.878 ( 1.630 -3.527 3.076) 4.955 4.966 ( -7.765 -4.705 5.374) 10.550 4.989 ( -3.746 -5.252 8.060) 10.324 6.098 ( 5.106 2.547 -5.286) 7.778 6.119 ( 4.580 1.195 -5.350) 7.144 6.263 ( 0.836 -1.191 1.078) 1.812 6.272 ( -0.516 -1.532 0.892) 1.847 ======================= Grid point 115 (48/96) ======================= q-point: ( 0.43 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.105 4.093 -0.510) 4.126 1.057 ( 0.161 2.336 -0.280) 2.358 1.092 ( -0.808 -1.091 -0.496) 1.445 1.121 ( -2.615 -2.181 -0.428) 3.432 1.218 ( 0.850 5.436 0.785) 5.557 1.267 ( -3.867 7.013 0.465) 8.022 1.333 ( 1.789 -4.554 0.022) 4.893 1.395 ( -4.194 -4.497 -0.145) 6.151 2.283 ( 1.905 4.615 -1.855) 5.326 2.300 ( 0.093 4.687 -1.171) 4.832 2.336 ( 1.823 -0.714 -1.373) 2.391 2.350 ( 0.303 -0.000 -2.378) 2.397 2.753 ( -0.716 9.607 0.861) 9.672 2.821 ( -7.637 5.596 -0.230) 9.471 2.950 ( 0.531 -6.747 -0.909) 6.829 2.981 ( -3.209 -8.908 0.173) 9.471 3.171 ( -1.286 12.779 1.185) 12.898 3.200 ( -3.405 7.680 0.264) 8.406 3.458 ( -0.242 -14.122 0.720) 14.142 3.475 ( -1.794 -13.665 1.254) 13.839 3.978 ( 5.497 5.386 -6.810) 10.276 4.004 ( 3.575 2.500 -6.970) 8.222 4.158 ( -2.730 -2.154 -9.357) 9.982 4.182 ( -6.053 -2.522 -8.972) 11.113 4.380 ( 1.769 5.231 6.429) 8.475 4.428 ( -3.077 6.507 4.769) 8.634 4.582 ( 3.270 -12.172 5.830) 13.886 4.641 ( -1.831 -12.282 3.926) 13.023 4.820 ( 0.009 3.304 4.771) 5.803 4.839 ( -2.526 3.517 6.511) 7.819 4.928 ( 2.391 -6.932 6.473) 9.781 4.967 ( -1.137 -7.486 5.671) 9.460 6.177 ( 2.968 3.105 -3.243) 5.382 6.189 ( 2.226 2.450 -2.883) 4.390 6.256 ( -0.743 -1.507 -1.628) 2.340 6.263 ( -0.824 -2.113 -1.586) 2.767 ======================= Grid point 154 (49/96) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 0.000 9.065) 9.065 0.431 ( 0.000 0.000 9.447) 9.447 0.655 ( 0.000 0.000 -8.811) 8.811 0.677 ( 0.000 0.000 -4.108) 4.108 0.913 ( 0.000 0.000 19.499) 19.499 1.030 ( 0.000 0.000 0.854) 0.854 1.071 ( 0.000 0.000 -1.206) 1.206 1.390 ( 0.000 0.000 -7.616) 7.616 1.563 ( 0.000 0.000 13.389) 13.389 2.038 ( 0.000 0.000 -9.332) 9.332 2.141 ( 0.000 0.000 8.440) 8.440 2.490 ( 0.000 0.000 -8.962) 8.962 2.514 ( 0.000 0.000 12.316) 12.316 2.537 ( 0.000 0.000 0.829) 0.829 2.632 ( 0.000 0.000 -3.952) 3.952 3.048 ( 0.000 0.000 -14.490) 14.490 3.315 ( 0.000 0.000 3.405) 3.405 3.497 ( 0.000 0.000 -6.431) 6.431 3.996 ( 0.000 0.000 0.363) 0.363 4.025 ( 0.000 0.000 -0.872) 0.872 4.133 ( 0.000 0.000 8.723) 8.723 4.405 ( 0.000 0.000 -5.487) 5.487 4.465 ( 0.000 0.000 1.247) 1.247 4.651 ( 0.000 0.000 -8.608) 8.608 4.698 ( 0.000 0.000 9.571) 9.571 4.854 ( 0.000 0.000 7.547) 7.547 5.000 ( 0.000 0.000 -5.974) 5.974 5.036 ( 0.000 0.000 2.564) 2.564 5.228 ( 0.000 0.000 -4.813) 4.813 5.274 ( 0.000 0.000 -3.202) 3.202 5.309 ( 0.000 0.000 2.480) 2.480 5.405 ( 0.000 0.000 -2.268) 2.268 5.665 ( 0.000 0.000 3.527) 3.527 5.711 ( 0.000 0.000 0.568) 0.568 6.571 ( 0.000 0.000 1.353) 1.353 6.609 ( 0.000 0.000 -0.427) 0.427 ======================= Grid point 155 (50/96) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 13.720 0.000 5.605) 14.821 0.529 ( 8.771 0.000 6.327) 10.814 0.712 ( 3.376 0.000 -3.264) 4.696 0.734 ( 7.933 0.000 -5.764) 9.806 0.930 ( 2.406 0.000 17.004) 17.174 1.023 ( -0.765 0.000 0.800) 1.107 1.061 ( -1.096 0.000 -1.098) 1.551 1.347 ( -2.009 0.000 -3.800) 4.298 1.612 ( 1.160 0.000 7.367) 7.457 1.989 ( -4.030 0.000 -5.617) 6.913 2.116 ( -2.523 0.000 6.125) 6.624 2.423 ( -6.628 0.000 -8.045) 10.423 2.570 ( 5.737 0.000 11.668) 13.003 2.702 ( 16.117 0.000 -2.213) 16.268 2.825 ( 14.353 0.000 -7.605) 16.243 3.068 ( 1.889 0.000 -13.160) 13.295 3.309 ( -0.201 0.000 4.211) 4.216 3.515 ( 2.129 0.000 -7.294) 7.598 3.961 ( -3.119 0.000 0.427) 3.148 4.020 ( -1.093 0.000 -1.931) 2.219 4.058 ( -5.374 0.000 7.536) 9.256 4.274 ( -8.744 0.000 -3.194) 9.309 4.538 ( 2.816 0.000 -2.764) 3.945 4.645 ( -0.557 0.000 -7.429) 7.450 4.663 ( -3.152 0.000 9.008) 9.543 4.890 ( 2.851 0.000 7.430) 7.958 4.919 ( -6.961 0.000 -4.139) 8.099 5.034 ( 0.273 0.000 4.424) 4.433 5.267 ( 2.405 0.000 -6.384) 6.822 5.297 ( 1.550 0.000 -3.889) 4.186 5.368 ( 4.814 0.000 1.080) 4.934 5.433 ( 2.532 0.000 -1.882) 3.155 5.702 ( 4.381 0.000 3.379) 5.533 5.761 ( 5.175 0.000 0.552) 5.205 6.484 ( -7.847 0.000 4.919) 9.261 6.573 ( -3.817 0.000 -0.664) 3.875 ======================= Grid point 156 (51/96) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 8.914 0.000 2.640) 9.297 0.713 ( 7.702 0.000 7.101) 10.476 0.791 ( 4.552 0.000 -1.621) 4.832 0.866 ( 3.111 0.000 -1.472) 3.441 1.000 ( -1.605 0.000 0.627) 1.723 1.028 ( 8.600 0.000 9.002) 12.449 1.029 ( -2.268 0.000 -0.794) 2.403 1.372 ( 4.101 0.000 -4.997) 6.464 1.586 ( -1.828 0.000 12.104) 12.242 1.938 ( -0.766 0.000 -1.208) 1.430 2.049 ( -4.513 0.000 2.767) 5.294 2.255 ( -10.494 0.000 -6.311) 12.245 2.723 ( 9.922 0.000 9.554) 13.774 2.984 ( 10.104 0.000 -3.771) 10.785 3.038 ( 6.803 0.000 -7.090) 9.826 3.102 ( 0.988 0.000 -8.733) 8.788 3.346 ( 5.392 0.000 4.000) 6.714 3.580 ( 3.920 0.000 -9.391) 10.176 3.893 ( -3.520 0.000 -0.774) 3.604 3.976 ( -3.500 0.000 -3.699) 5.093 3.993 ( -1.122 0.000 3.527) 3.701 4.123 ( -6.288 0.000 -2.262) 6.683 4.563 ( 0.453 0.000 -4.487) 4.510 4.607 ( -2.083 0.000 7.385) 7.674 4.635 ( -0.310 0.000 -6.912) 6.919 4.778 ( -7.258 0.000 -1.624) 7.437 4.934 ( 1.536 0.000 7.917) 8.065 5.043 ( 0.041 0.000 6.830) 6.830 5.276 ( -1.070 0.000 -7.517) 7.593 5.306 ( -0.671 0.000 -5.022) 5.066 5.455 ( 3.935 0.000 0.020) 3.935 5.484 ( 2.520 0.000 -1.274) 2.824 5.829 ( 8.170 0.000 3.336) 8.825 5.901 ( 9.156 0.000 0.574) 9.174 6.322 ( -8.519 0.000 7.907) 11.623 6.468 ( -7.053 0.000 -0.753) 7.093 ======================= Grid point 157 (52/96) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 3.686 0.000 7.661) 8.502 0.847 ( 5.467 0.000 0.771) 5.521 0.867 ( -1.824 0.000 3.980) 4.378 0.869 ( 3.034 0.000 -0.276) 3.047 0.964 ( -1.889 0.000 0.246) 1.905 0.976 ( -3.012 0.000 -0.337) 3.030 1.208 ( 9.128 0.000 5.489) 10.651 1.359 ( -6.093 0.000 1.084) 6.189 1.685 ( 11.694 0.000 5.071) 12.746 1.907 ( -8.674 0.000 -2.727) 9.092 1.976 ( 1.713 0.000 2.947) 3.409 2.066 ( -7.654 0.000 -1.699) 7.840 2.922 ( 10.155 0.000 5.535) 11.566 3.072 ( -4.847 0.000 -1.204) 4.994 3.077 ( 2.021 0.000 -2.486) 3.204 3.097 ( 0.198 0.000 -3.899) 3.904 3.497 ( 8.210 0.000 -1.811) 8.407 3.603 ( -2.380 0.000 -7.511) 7.879 3.855 ( 0.169 0.000 -3.605) 3.609 3.900 ( -3.911 0.000 -4.832) 6.216 4.003 ( 1.819 0.000 1.023) 2.087 4.046 ( -2.476 0.000 -0.312) 2.496 4.583 ( 2.033 0.000 -5.566) 5.926 4.599 ( 1.419 0.000 4.645) 4.857 4.623 ( -1.458 0.000 -6.701) 6.858 4.660 ( -4.883 0.000 1.380) 5.074 4.962 ( 2.025 0.000 7.280) 7.556 5.015 ( -2.916 0.000 6.924) 7.513 5.262 ( 0.188 0.000 -6.981) 6.984 5.282 ( -1.522 0.000 -5.832) 6.027 5.509 ( 1.653 0.000 -0.476) 1.721 5.517 ( 0.758 0.000 -0.834) 1.127 5.986 ( 7.948 0.000 4.842) 9.307 6.070 ( 5.066 0.000 1.904) 5.412 6.189 ( -2.524 0.000 5.606) 6.147 6.312 ( -9.109 0.000 -0.156) 9.110 ======================= Grid point 161 (53/96) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 10.296 2.971) 10.716 0.458 ( 0.000 3.897 5.910) 7.079 0.705 ( 0.000 5.650 -2.534) 6.193 0.753 ( 0.000 6.837 -2.619) 7.321 1.018 ( 0.000 9.353 15.636) 18.220 1.141 ( 0.000 9.542 0.517) 9.556 1.178 ( 0.000 8.255 -1.344) 8.364 1.452 ( 0.000 5.839 -7.512) 9.514 1.627 ( 0.000 6.500 12.072) 13.711 2.015 ( 0.000 -2.262 -7.253) 7.597 2.082 ( 0.000 -3.626 8.588) 9.322 2.462 ( 0.000 -2.780 -9.524) 9.922 2.554 ( 0.000 3.947 3.062) 4.995 2.660 ( 0.000 3.137 -3.322) 4.569 2.755 ( 0.000 13.741 -2.600) 13.985 3.053 ( 0.000 -0.116 -12.860) 12.860 3.356 ( 0.000 4.227 2.613) 4.970 3.495 ( 0.000 -0.136 -4.908) 4.910 3.859 ( 0.000 -9.859 3.224) 10.372 3.984 ( 0.000 -3.125 -3.283) 4.532 4.176 ( 0.000 1.693 5.786) 6.029 4.391 ( 0.000 -1.446 -4.930) 5.137 4.430 ( 0.000 -4.196 1.256) 4.380 4.582 ( 0.000 -7.132 -7.546) 10.383 4.610 ( 0.000 -6.118 7.592) 9.751 4.815 ( 0.000 -10.597 -2.252) 10.834 4.880 ( 0.000 1.252 7.825) 7.924 5.146 ( 0.000 1.338 -0.002) 1.338 5.201 ( 0.000 -9.444 -0.990) 9.495 5.256 ( 0.000 -3.240 -1.685) 3.652 5.262 ( 0.000 0.882 -0.528) 1.028 5.335 ( 0.000 3.390 -1.107) 3.566 5.725 ( 0.000 1.067 2.696) 2.899 5.830 ( 0.000 8.880 -2.744) 9.294 6.501 ( 0.000 -5.381 4.187) 6.818 6.578 ( 0.000 -2.906 -0.591) 2.965 ======================= Grid point 162 (54/96) ======================= q-point: ( 0.14 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 6.461 1.621 5.019) 8.340 0.563 ( 6.497 2.514 1.661) 7.162 0.761 ( 5.365 4.754 0.856) 7.219 0.832 ( 7.050 7.275 -2.672) 10.477 1.034 ( 1.667 8.890 12.054) 15.070 1.140 ( -0.309 9.850 0.579) 9.872 1.165 ( -1.369 8.135 -1.032) 8.313 1.381 ( -3.787 4.472 -3.144) 6.650 1.662 ( 0.636 5.014 8.616) 9.989 1.968 ( -2.862 -0.983 -3.356) 4.519 2.066 ( -1.373 -3.062 6.004) 6.878 2.393 ( -5.925 -2.751 -7.998) 10.327 2.603 ( -0.563 2.888 3.309) 4.429 2.714 ( 12.125 -0.378 -1.508) 12.225 2.935 ( 11.676 8.314 -7.564) 16.207 3.079 ( 2.653 0.840 -10.660) 11.018 3.360 ( 0.773 4.862 2.949) 5.738 3.518 ( 2.504 0.178 -5.860) 6.376 3.816 ( -3.782 -10.402 2.563) 11.361 3.946 ( -4.072 -5.144 -3.554) 7.461 4.131 ( -3.730 2.903 4.596) 6.592 4.275 ( -7.750 -0.164 -1.783) 7.954 4.394 ( -4.319 -11.447 1.051) 12.280 4.553 ( -2.281 -7.409 -7.053) 10.480 4.678 ( 3.326 -1.654 3.822) 5.330 4.835 ( 0.975 -5.543 -1.532) 5.833 4.897 ( 2.105 0.500 7.463) 7.770 5.078 ( -3.647 -0.012 2.488) 4.415 5.206 ( 0.599 -8.428 -2.472) 8.804 5.254 ( 0.152 -2.912 -5.416) 6.151 5.354 ( 6.929 -0.015 1.541) 7.098 5.419 ( 6.165 3.556 -0.499) 7.134 5.755 ( 3.347 1.016 2.317) 4.196 5.846 ( 1.925 6.758 -2.317) 7.399 6.437 ( -5.884 -3.620 5.817) 9.031 6.547 ( -3.315 -2.433 -0.860) 4.201 ======================= Grid point 163 (55/96) ======================= q-point: ( 0.29 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 8.034 -3.004 2.739) 9.005 0.679 ( 5.705 -1.185 1.884) 6.124 0.865 ( 4.580 4.171 4.249) 7.512 0.947 ( 2.640 5.570 -0.651) 6.198 1.080 ( 3.613 5.724 5.027) 8.432 1.127 ( -2.165 8.532 -0.286) 8.807 1.133 ( 0.139 8.734 2.769) 9.164 1.376 ( 2.223 0.920 -4.348) 4.970 1.638 ( -1.056 5.384 11.348) 12.605 1.949 ( 0.964 1.082 -0.947) 1.731 2.035 ( -2.436 -0.591 2.032) 3.227 2.244 ( -9.232 -1.082 -6.234) 11.192 2.658 ( 5.765 -3.346 6.037) 8.993 2.901 ( 5.580 -7.660 -4.945) 10.690 3.109 ( 6.527 5.173 -5.673) 10.077 3.143 ( 3.433 3.783 -4.867) 7.056 3.401 ( 3.467 4.427 2.453) 6.135 3.581 ( 2.992 -0.497 -7.412) 8.008 3.752 ( -1.911 -10.836 -1.071) 11.055 3.840 ( -6.179 -10.019 -4.137) 12.477 4.060 ( -3.152 2.784 3.346) 5.375 4.155 ( -4.675 1.354 -0.406) 4.884 4.312 ( -3.580 -14.825 1.103) 15.291 4.475 ( -5.539 -10.402 -7.349) 13.889 4.730 ( 2.689 2.730 2.238) 4.438 4.830 ( -0.642 1.617 -1.133) 2.076 4.937 ( 1.296 0.333 7.003) 7.130 5.045 ( -1.010 -2.228 5.282) 5.821 5.224 ( 1.086 -4.929 -5.022) 7.120 5.249 ( -0.399 -3.811 -6.018) 7.134 5.476 ( 5.032 1.025 1.550) 5.364 5.512 ( 3.244 3.627 0.309) 4.876 5.852 ( 6.307 0.626 1.563) 6.528 5.919 ( 6.205 1.467 -0.730) 6.417 6.309 ( -7.036 -0.917 6.979) 9.953 6.453 ( -6.393 -1.374 -1.047) 6.622 ======================= Grid point 164 (56/96) ======================= q-point: ( 0.43 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 4.349 -3.179 2.925) 6.130 0.768 ( 2.866 -1.804 3.940) 5.195 0.916 ( 0.938 3.285 1.542) 3.748 0.938 ( -1.787 4.008 0.646) 4.436 1.092 ( -0.639 8.226 2.329) 8.573 1.098 ( -0.811 8.819 2.367) 9.167 1.226 ( 7.266 1.929 4.638) 8.833 1.353 ( -5.205 -0.648 0.665) 5.287 1.726 ( 9.977 4.431 4.477) 11.799 1.929 ( -9.164 1.903 -1.754) 9.523 1.998 ( 3.467 2.161 0.399) 4.105 2.085 ( -6.182 1.736 -2.060) 6.743 2.794 ( 7.685 -8.390 4.182) 12.122 2.911 ( -3.704 -9.774 -1.076) 10.507 3.187 ( 2.100 6.879 -2.039) 7.476 3.198 ( 1.565 5.968 -3.231) 6.965 3.473 ( 4.334 -3.230 -1.440) 5.594 3.568 ( -4.474 -4.512 -6.324) 8.965 3.754 ( 0.972 -8.334 -4.380) 9.465 3.767 ( -0.965 -9.936 -4.042) 10.770 4.035 ( 0.848 1.399 2.592) 3.065 4.082 ( -3.391 1.358 1.113) 3.819 4.288 ( 1.593 -14.812 -1.284) 14.953 4.363 ( -5.605 -12.850 -4.782) 14.812 4.787 ( 3.019 5.437 0.676) 6.256 4.825 ( -0.605 5.660 -0.743) 5.740 4.951 ( 1.165 -1.816 5.495) 5.903 5.002 ( -3.398 -2.926 4.326) 6.230 5.241 ( 0.754 -1.141 -5.236) 5.411 5.249 ( 0.043 -2.568 -4.731) 5.383 5.537 ( 1.640 1.889 0.973) 2.685 5.546 ( 0.578 2.541 0.646) 2.685 5.977 ( 6.524 -1.165 3.281) 7.395 6.043 ( 3.176 -2.539 1.703) 4.408 6.207 ( -0.967 1.562 3.868) 4.283 6.312 ( -8.122 0.001 -0.572) 8.142 ======================= Grid point 168 (57/96) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 9.389 3.219) 9.925 0.656 ( 0.000 10.149 -0.861) 10.185 0.846 ( 0.000 7.055 1.147) 7.147 0.916 ( 0.000 8.242 -0.988) 8.301 1.213 ( 0.000 7.696 9.581) 12.289 1.346 ( 0.000 9.212 -0.371) 9.220 1.370 ( 0.000 11.411 0.718) 11.433 1.610 ( 0.000 9.067 -7.655) 11.866 1.815 ( 0.000 10.503 6.620) 12.415 1.953 ( 0.000 -3.523 -1.763) 3.939 2.006 ( 0.000 -3.586 8.161) 8.914 2.380 ( 0.000 -5.060 -9.026) 10.348 2.679 ( 0.000 8.288 1.140) 8.366 2.772 ( 0.000 7.712 -2.729) 8.181 2.940 ( 0.000 4.780 -7.933) 9.262 3.001 ( 0.000 -5.469 -9.377) 10.855 3.479 ( 0.000 6.669 1.810) 6.910 3.513 ( 0.000 2.329 1.596) 2.824 3.666 ( 0.000 -8.427 1.330) 8.531 3.911 ( 0.000 -4.463 -9.586) 10.574 4.169 ( 0.000 -3.139 4.559) 5.535 4.289 ( 0.000 -7.853 1.961) 8.094 4.334 ( 0.000 -5.446 -2.784) 6.117 4.380 ( 0.000 -10.322 -4.977) 11.459 4.525 ( 0.000 -1.785 3.397) 3.838 4.616 ( 0.000 -8.024 -0.775) 8.061 4.880 ( 0.000 -1.403 6.756) 6.900 4.960 ( 0.000 -10.019 6.744) 12.077 5.158 ( 0.000 -6.015 -3.822) 7.127 5.159 ( 0.000 -2.990 -1.545) 3.365 5.284 ( 0.000 -0.303 -0.644) 0.712 5.399 ( 0.000 1.797 -1.037) 2.075 5.743 ( 0.000 0.736 3.863) 3.932 5.929 ( 0.000 0.787 -4.946) 5.008 6.418 ( 0.000 -2.138 4.495) 4.977 6.502 ( 0.000 -4.249 -0.338) 4.262 ======================= Grid point 169 (58/96) ======================= q-point: ( 0.14 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.398 8.532 2.659) 8.945 0.662 ( 0.576 7.222 -1.243) 7.351 0.865 ( 2.619 5.167 3.767) 6.910 0.982 ( 5.010 6.685 -1.352) 8.463 1.208 ( -0.818 6.399 7.799) 10.122 1.315 ( -2.278 7.743 0.096) 8.072 1.377 ( -0.324 11.830 0.204) 11.836 1.523 ( -6.490 7.598 -4.376) 10.908 1.811 ( -1.550 8.458 7.943) 11.706 1.974 ( 1.895 0.697 -1.841) 2.732 2.012 ( 0.918 -1.106 4.348) 4.579 2.324 ( -4.849 -3.571 -8.204) 10.177 2.675 ( -3.328 3.954 -0.817) 5.233 2.731 ( 1.100 2.771 -1.745) 3.454 3.040 ( 6.810 0.929 -6.330) 9.344 3.080 ( 7.485 -0.191 -6.751) 10.082 3.493 ( 1.349 5.037 1.333) 5.382 3.523 ( 0.035 1.295 2.470) 2.789 3.617 ( -3.607 -6.675 -0.862) 7.636 3.821 ( -8.980 -6.991 -7.877) 13.840 4.115 ( -5.324 -8.115 3.725) 10.395 4.182 ( -6.637 -5.255 0.795) 8.503 4.267 ( -5.970 -0.633 -0.836) 6.061 4.372 ( -1.552 -8.821 -6.305) 10.953 4.596 ( 5.909 -5.658 4.467) 9.322 4.714 ( 6.219 -6.320 -1.229) 8.951 4.896 ( 2.366 -1.216 6.100) 6.655 4.950 ( -1.505 -8.742 5.447) 10.409 5.090 ( -1.724 -5.007 -2.038) 5.674 5.181 ( -0.059 -4.013 -5.663) 6.941 5.368 ( 6.917 -0.564 2.414) 7.348 5.474 ( 5.773 0.710 0.599) 5.847 5.770 ( 3.023 0.997 2.387) 3.978 5.920 ( -0.636 0.415 -4.409) 4.474 6.383 ( -3.471 -1.349 4.556) 5.884 6.482 ( -2.218 -3.703 -0.803) 4.391 ======================= Grid point 170 (59/96) ======================= q-point: ( 0.29 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 4.611 4.100 1.952) 6.472 0.698 ( 3.405 3.458 -0.645) 4.896 0.928 ( 3.321 2.443 5.186) 6.625 1.054 ( 1.303 4.436 -0.424) 4.642 1.182 ( -1.184 3.320 6.252) 7.177 1.274 ( -1.730 6.794 0.570) 7.034 1.349 ( -2.233 10.158 0.759) 10.428 1.412 ( -5.189 1.897 -1.613) 5.755 1.800 ( 1.421 9.474 6.913) 11.813 1.993 ( 1.227 3.634 0.601) 3.882 2.044 ( 0.710 1.194 -2.205) 2.606 2.220 ( -5.714 -0.639 -6.107) 8.388 2.633 ( -0.330 0.613 1.921) 2.043 2.753 ( 0.356 -5.490 -3.190) 6.360 3.166 ( 5.455 -0.134 -1.835) 5.757 3.217 ( 6.395 1.657 -3.909) 7.676 3.446 ( -5.260 -10.124 0.516) 11.421 3.533 ( -0.172 5.571 -0.567) 5.602 3.589 ( -3.188 -9.108 -4.147) 10.503 3.640 ( -4.209 -1.837 -5.078) 6.846 4.007 ( -4.713 -11.367 3.585) 12.816 4.068 ( -5.441 -5.462 0.416) 7.720 4.175 ( -3.258 0.830 0.498) 3.399 4.311 ( -4.725 -4.731 -6.717) 9.478 4.694 ( 4.461 -6.320 3.873) 8.652 4.804 ( 3.492 -4.774 -0.969) 5.994 4.915 ( -1.239 -6.201 4.328) 7.663 4.947 ( 0.666 -1.439 3.175) 3.549 5.110 ( 3.611 -5.935 -2.453) 7.367 5.191 ( 1.391 -2.743 -4.743) 5.653 5.494 ( 5.399 -0.902 4.858) 7.319 5.555 ( 2.229 -0.649 3.283) 4.021 5.859 ( 5.644 1.151 -0.479) 5.780 5.925 ( 2.034 -0.743 -2.813) 3.550 6.300 ( -4.744 0.104 3.913) 6.151 6.415 ( -4.796 -2.331 -1.502) 5.540 ======================= Grid point 171 (60/96) ======================= q-point: ( 0.43 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 4.874 1.942 2.244) 5.707 0.770 ( 2.671 2.256 1.630) 3.857 0.968 ( 1.118 1.661 2.015) 2.841 1.018 ( -3.816 3.435 0.203) 5.139 1.192 ( 2.335 1.211 5.662) 6.243 1.252 ( -2.355 5.536 3.990) 7.219 1.307 ( -0.406 3.694 1.076) 3.869 1.338 ( -2.538 0.813 0.668) 2.747 1.867 ( 5.335 8.763 1.946) 10.442 1.980 ( -5.188 3.217 -0.014) 6.105 2.056 ( 3.215 3.287 -3.644) 5.867 2.128 ( -3.958 2.340 -3.507) 5.783 2.662 ( 3.190 -3.864 2.968) 5.824 2.729 ( -2.957 -6.678 0.353) 7.312 3.242 ( 3.872 -9.281 -1.080) 10.114 3.316 ( 2.230 -3.678 -4.217) 6.024 3.363 ( -3.639 0.962 -2.115) 4.318 3.407 ( -5.139 -2.129 -3.843) 6.761 3.604 ( 2.065 -4.512 -2.245) 5.447 3.631 ( -0.628 -4.227 -3.957) 5.823 3.961 ( -0.257 -9.418 2.819) 9.834 3.987 ( -2.893 -7.442 1.599) 8.143 4.151 ( 1.009 0.293 -0.643) 1.232 4.212 ( -4.914 -2.059 -4.073) 6.707 4.780 ( 4.658 -7.132 2.255) 8.812 4.851 ( -0.334 -8.947 0.109) 8.954 4.883 ( -0.324 -0.072 1.593) 1.627 4.924 ( -2.428 -1.134 0.414) 2.712 5.189 ( 3.572 -3.489 -1.459) 5.202 5.219 ( 0.565 -1.988 -2.407) 3.173 5.557 ( 1.490 -1.387 4.988) 5.387 5.570 ( -0.149 -1.367 4.260) 4.477 5.950 ( 4.255 -0.473 -0.083) 4.282 5.989 ( 1.821 -1.738 -0.266) 2.532 6.238 ( -0.169 1.165 1.003) 1.547 6.309 ( -5.921 -0.456 -1.559) 6.140 ======================= Grid point 175 (61/96) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 9.338 1.652) 9.483 0.841 ( 0.000 7.977 -1.163) 8.061 0.969 ( 0.000 5.099 1.787) 5.403 1.055 ( 0.000 4.833 -0.712) 4.886 1.315 ( 0.000 3.170 7.643) 8.274 1.492 ( 0.000 5.184 -1.169) 5.314 1.629 ( 0.000 12.678 0.800) 12.703 1.766 ( 0.000 3.642 -5.027) 6.208 1.852 ( 0.000 -5.783 2.143) 6.167 1.896 ( 0.000 -0.312 0.156) 0.349 2.087 ( 0.000 9.689 5.834) 11.310 2.276 ( 0.000 -4.614 -5.340) 7.057 2.832 ( 0.000 -5.416 -3.880) 6.663 2.858 ( 0.000 6.849 -4.506) 8.199 3.000 ( 0.000 10.135 -3.128) 10.607 3.015 ( 0.000 5.251 -5.550) 7.640 3.459 ( 0.000 -7.858 4.633) 9.122 3.523 ( 0.000 -4.865 0.573) 4.899 3.635 ( 0.000 4.669 1.005) 4.776 3.851 ( 0.000 1.411 -8.676) 8.790 4.035 ( 0.000 -7.759 3.048) 8.336 4.133 ( 0.000 -9.950 -1.543) 10.069 4.186 ( 0.000 -3.165 0.356) 3.185 4.261 ( 0.000 -4.696 -4.107) 6.239 4.506 ( 0.000 -3.242 1.500) 3.573 4.529 ( 0.000 1.730 1.474) 2.273 4.786 ( 0.000 -6.903 7.752) 10.380 4.821 ( 0.000 -4.280 5.156) 6.701 5.020 ( 0.000 -7.499 -3.561) 8.302 5.045 ( 0.000 -7.998 3.739) 8.829 5.248 ( 0.000 -2.877 -2.417) 3.757 5.376 ( 0.000 -4.147 0.183) 4.151 5.771 ( 0.000 2.253 0.038) 2.253 5.899 ( 0.000 -2.637 -4.738) 5.422 6.395 ( 0.000 -0.893 1.992) 2.183 6.413 ( 0.000 -4.413 1.055) 4.538 ======================= Grid point 176 (62/96) ======================= q-point: ( 0.14 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -1.513 9.256 1.141) 9.448 0.828 ( -1.154 8.148 -1.406) 8.349 0.966 ( 0.341 4.651 3.004) 5.547 1.085 ( 2.280 3.367 -1.204) 4.241 1.295 ( -2.231 2.934 6.658) 7.610 1.448 ( -4.024 4.480 -1.340) 6.169 1.582 ( -5.638 5.235 1.501) 7.839 1.646 ( -7.990 5.468 -1.459) 9.792 1.875 ( 3.310 -1.397 2.898) 4.616 1.999 ( 5.647 2.763 -3.717) 7.304 2.097 ( 0.779 7.471 4.053) 8.535 2.266 ( -0.944 -1.802 -5.145) 5.532 2.772 ( -6.543 2.201 -3.736) 7.850 2.782 ( -4.215 3.777 -4.192) 7.043 3.037 ( 5.344 1.786 -0.527) 5.659 3.098 ( 4.304 2.490 -3.522) 6.094 3.386 ( -6.735 -7.085 2.776) 10.162 3.506 ( -3.291 -7.876 -2.184) 8.811 3.675 ( 3.785 5.442 0.631) 6.659 3.773 ( -6.944 5.111 -3.547) 9.323 3.935 ( -7.994 -7.302 1.284) 10.903 4.041 ( -4.925 -8.932 -4.310) 11.073 4.237 ( 1.013 -3.075 0.208) 3.244 4.267 ( -1.460 -2.266 -1.171) 2.939 4.484 ( 0.770 -4.330 4.761) 6.482 4.588 ( 3.135 -5.711 -1.483) 6.681 4.802 ( 1.256 -5.155 5.559) 7.685 4.845 ( 3.088 -4.191 4.864) 7.125 4.963 ( -2.307 -7.115 -1.851) 7.705 5.080 ( 1.451 -6.073 -1.915) 6.531 5.311 ( 5.401 -4.694 2.030) 7.439 5.420 ( 3.399 -5.883 2.806) 7.351 5.812 ( 4.147 2.972 -1.201) 5.242 5.901 ( 0.397 -1.348 -4.409) 4.628 6.368 ( -2.674 -0.761 1.851) 3.340 6.403 ( -1.247 -3.890 0.169) 4.089 ======================= Grid point 177 (63/96) ======================= q-point: ( 0.29 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.769 7.563 1.098) 7.681 0.821 ( 1.045 7.668 -1.455) 7.874 0.986 ( 1.393 3.398 3.355) 4.974 1.119 ( 0.669 2.089 -1.382) 2.593 1.231 ( -4.025 2.097 5.566) 7.182 1.362 ( -4.585 0.500 -1.350) 4.806 1.440 ( -7.856 1.788 2.920) 8.570 1.507 ( -6.799 4.370 0.038) 8.082 1.955 ( 4.307 5.290 1.795) 7.054 2.066 ( 1.868 2.287 -2.780) 4.056 2.109 ( 0.091 6.285 -0.725) 6.327 2.242 ( -1.729 2.408 -5.047) 5.853 2.661 ( -4.117 1.819 -0.270) 4.509 2.716 ( -2.509 2.244 -2.753) 4.349 3.091 ( -5.927 -6.097 3.847) 9.333 3.168 ( 6.833 -3.561 -0.243) 7.709 3.278 ( -4.632 -7.081 -2.194) 8.741 3.393 ( -3.284 -6.239 -6.626) 9.675 3.665 ( -4.142 5.100 0.874) 6.628 3.737 ( -1.687 6.985 -2.891) 7.746 3.807 ( -2.130 -7.050 2.447) 7.760 3.945 ( -4.896 -5.201 -3.367) 7.897 4.190 ( -3.047 -0.044 0.727) 3.133 4.248 ( -2.122 -2.829 -2.643) 4.415 4.515 ( 2.306 -9.374 4.940) 10.844 4.634 ( 1.163 -9.992 -1.650) 10.194 4.828 ( 1.830 -3.328 3.396) 5.095 4.897 ( 0.561 -3.710 1.239) 3.952 4.987 ( 5.188 -6.357 0.382) 8.214 5.111 ( 1.980 -5.103 -2.905) 6.197 5.404 ( 3.735 -7.406 6.647) 10.629 5.467 ( 1.266 -7.543 5.900) 9.660 5.913 ( 5.422 3.661 -2.726) 7.087 5.925 ( 2.748 1.055 -3.648) 4.687 6.302 ( -3.848 -0.126 1.066) 3.995 6.362 ( -3.135 -2.831 -1.441) 4.463 ======================= Grid point 178 (64/96) ======================= q-point: ( 0.43 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 4.122 5.349 1.630) 6.947 0.861 ( 1.463 6.131 -0.040) 6.303 1.002 ( 1.021 2.279 1.444) 2.884 1.076 ( -5.031 2.473 -1.100) 5.713 1.194 ( 1.316 -0.236 5.039) 5.213 1.269 ( -5.521 -2.349 3.055) 6.733 1.349 ( -0.246 2.354 0.357) 2.394 1.397 ( -4.462 1.932 0.217) 4.867 2.019 ( 2.577 5.547 0.234) 6.121 2.068 ( -2.334 4.533 -0.408) 5.115 2.127 ( 3.128 4.466 -4.426) 7.022 2.193 ( -3.298 3.984 -5.192) 7.329 2.631 ( 0.910 0.466 2.401) 2.609 2.673 ( -2.569 0.728 1.073) 2.878 3.002 ( -0.610 -9.095 -0.066) 9.115 3.083 ( -8.175 -9.432 -3.412) 12.940 3.367 ( 9.339 -6.938 0.611) 11.650 3.448 ( 4.725 -5.158 -3.771) 7.947 3.564 ( -6.091 4.486 -0.443) 7.578 3.610 ( -7.730 2.683 -2.121) 8.452 3.843 ( 2.364 -1.205 -0.492) 2.699 3.881 ( -2.012 -2.384 -1.208) 3.345 4.159 ( 0.057 -0.171 0.289) 0.341 4.191 ( -2.982 -1.112 -1.627) 3.574 4.570 ( 3.239 -11.563 1.563) 12.110 4.623 ( -2.001 -11.925 -1.229) 12.154 4.866 ( 1.827 -1.840 2.171) 3.382 4.892 ( -0.844 -2.393 1.047) 2.745 5.091 ( 4.617 -6.529 0.806) 8.037 5.138 ( -0.072 -6.009 -0.956) 6.085 5.449 ( 1.424 -8.493 7.819) 11.632 5.470 ( -0.701 -8.046 7.140) 10.780 5.978 ( 3.216 2.898 -2.171) 4.842 6.003 ( 1.891 2.769 -2.329) 4.083 6.249 ( -0.599 -0.005 -1.017) 1.181 6.291 ( -3.897 -1.266 -2.402) 4.750 ======================= Grid point 182 (65/96) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 6.354 0.453) 6.370 0.983 ( 0.000 6.042 -0.905) 6.109 1.062 ( 0.000 4.481 0.861) 4.563 1.106 ( 0.000 0.583 0.006) 0.583 1.360 ( 0.000 1.306 6.760) 6.885 1.549 ( 0.000 0.168 -1.977) 1.984 1.687 ( 0.000 -6.267 3.851) 7.356 1.707 ( 0.000 -6.558 1.456) 6.717 1.892 ( 0.000 9.603 -3.369) 10.177 1.977 ( 0.000 5.724 -5.182) 7.721 2.208 ( 0.000 -2.144 -0.784) 2.283 2.230 ( 0.000 3.277 0.408) 3.302 2.775 ( 0.000 1.114 -0.765) 1.352 2.895 ( 0.000 -0.548 -7.389) 7.409 3.162 ( 0.000 0.137 -0.628) 0.643 3.196 ( 0.000 7.619 -2.242) 7.942 3.370 ( 0.000 4.369 1.044) 4.492 3.373 ( 0.000 -4.735 0.849) 4.810 3.711 ( 0.000 2.032 3.958) 4.449 3.920 ( 0.000 1.816 -4.725) 5.062 3.926 ( 0.000 -2.580 1.402) 2.936 3.983 ( 0.000 -3.867 -1.710) 4.229 4.135 ( 0.000 -1.952 -1.138) 2.260 4.159 ( 0.000 -5.278 -3.078) 6.110 4.469 ( 0.000 -0.425 3.908) 3.931 4.580 ( 0.000 2.913 0.335) 2.932 4.685 ( 0.000 -3.126 7.120) 7.776 4.717 ( 0.000 -5.646 5.140) 7.635 4.860 ( 0.000 -8.012 -1.197) 8.101 4.862 ( 0.000 -8.914 7.446) 11.614 5.184 ( 0.000 -3.084 -5.253) 6.091 5.259 ( 0.000 -6.314 -0.852) 6.371 5.821 ( 0.000 2.128 -4.320) 4.816 5.850 ( 0.000 -1.755 -4.480) 4.811 6.331 ( 0.000 -3.347 2.776) 4.349 6.365 ( 0.000 -2.077 0.919) 2.272 ======================= Grid point 183 (66/96) ======================= q-point: ( 0.14 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -1.411 7.108 0.035) 7.246 0.973 ( -0.798 6.070 -0.902) 6.188 1.051 ( -0.434 3.769 1.605) 4.120 1.124 ( 1.415 0.699 -0.841) 1.788 1.337 ( -2.330 1.073 5.772) 6.316 1.483 ( -6.765 -0.710 -0.788) 6.847 1.588 ( -6.968 -2.186 1.625) 7.481 1.646 ( -6.130 -5.732 0.215) 8.395 1.952 ( 5.875 8.088 -0.866) 10.034 2.066 ( 5.822 4.122 -5.401) 8.947 2.202 ( 0.287 1.614 1.237) 2.054 2.254 ( 1.459 0.438 -1.818) 2.372 2.784 ( -0.163 2.362 -1.030) 2.582 2.855 ( -3.148 1.963 -4.583) 5.896 3.132 ( -5.140 5.941 0.224) 7.859 3.184 ( 1.479 0.173 -3.171) 3.504 3.292 ( -7.106 1.403 1.604) 7.418 3.334 ( -4.772 -4.997 -0.660) 6.941 3.729 ( 0.400 -1.035 2.839) 3.048 3.823 ( -9.838 -4.698 -0.336) 10.908 3.861 ( -3.731 0.397 -0.104) 3.754 3.961 ( 1.433 3.953 -5.186) 6.676 4.137 ( -1.900 -6.895 1.070) 7.232 4.211 ( 2.233 -2.612 -2.244) 4.104 4.451 ( -2.128 0.563 3.017) 3.734 4.499 ( -3.802 -2.589 0.586) 4.637 4.714 ( 0.708 -5.198 2.759) 5.927 4.760 ( 4.569 -2.445 7.705) 9.285 4.813 ( -1.030 -7.125 -0.979) 7.266 4.949 ( 4.598 -6.081 2.336) 7.974 5.201 ( 1.295 -5.552 -0.938) 5.778 5.270 ( 1.095 -7.796 2.606) 8.293 5.867 ( 4.331 1.665 -4.338) 6.352 5.887 ( 3.742 0.437 -4.637) 5.974 6.325 ( -0.744 -2.913 1.695) 3.451 6.348 ( -1.802 -1.817 0.615) 2.632 ======================= Grid point 184 (67/96) ======================= q-point: ( 0.29 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -0.689 7.278 0.450) 7.324 0.964 ( 0.201 5.830 -1.123) 5.941 1.056 ( 0.727 3.178 1.517) 3.595 1.148 ( 0.727 0.718 -1.779) 2.052 1.274 ( -4.314 1.617 3.552) 5.818 1.327 ( -8.204 -1.890 1.508) 8.553 1.454 ( -6.535 -1.479 0.955) 6.768 1.526 ( -6.196 -1.617 -0.897) 6.466 2.064 ( 5.173 6.243 -0.477) 8.122 2.147 ( 2.581 5.457 -2.892) 6.694 2.213 ( 0.174 3.542 -1.269) 3.766 2.272 ( 0.285 0.211 -3.370) 3.389 2.724 ( -4.500 4.655 0.993) 6.550 2.812 ( -2.918 5.913 -4.449) 7.954 3.050 ( -6.257 1.171 5.272) 8.266 3.127 ( -3.142 0.036 1.417) 3.447 3.147 ( -7.949 -3.021 -0.240) 8.507 3.278 ( 0.410 -6.481 -6.901) 9.476 3.682 ( -3.854 -4.518 0.588) 5.968 3.698 ( -3.634 -3.540 0.154) 5.076 3.838 ( 0.411 1.850 0.257) 1.912 3.934 ( -3.338 2.533 -2.540) 4.900 4.118 ( -0.481 -6.626 -1.590) 6.831 4.189 ( -3.318 -2.570 -3.508) 5.470 4.406 ( -1.165 -0.649 3.743) 3.973 4.468 ( -1.228 -4.456 -1.357) 4.817 4.745 ( 2.962 -5.281 3.449) 6.969 4.826 ( 1.631 -5.390 -0.908) 5.704 4.851 ( 4.652 -3.913 5.541) 8.225 5.004 ( 1.217 -4.472 -0.477) 4.660 5.228 ( 1.367 -9.269 6.543) 11.428 5.287 ( 0.401 -9.259 6.029) 11.056 5.959 ( 4.997 2.028 -3.878) 6.642 5.983 ( 5.724 2.786 -4.296) 7.680 6.292 ( -2.916 -0.909 -0.101) 3.056 6.307 ( -2.171 -2.276 -0.779) 3.240 ======================= Grid point 185 (68/96) ======================= q-point: ( 0.43 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.625 6.060 0.989) 6.678 0.982 ( 0.537 4.918 -0.565) 4.979 1.060 ( 0.063 2.831 0.277) 2.846 1.117 ( -4.197 1.187 -1.611) 4.649 1.202 ( -1.504 1.560 3.203) 3.867 1.221 ( -2.781 -1.546 2.624) 4.124 1.377 ( -0.694 0.180 0.097) 0.724 1.421 ( -4.501 0.325 -1.112) 4.647 2.134 ( 2.268 5.875 -0.925) 6.366 2.164 ( -0.876 6.018 -0.180) 6.084 2.218 ( 1.452 3.983 -4.948) 6.516 2.257 ( -1.875 2.574 -4.632) 5.621 2.673 ( -0.174 3.309 2.471) 4.134 2.724 ( -5.102 3.682 0.059) 6.292 2.948 ( -0.821 3.277 1.430) 3.668 3.004 ( -5.932 1.844 -0.441) 6.228 3.179 ( 5.071 -9.271 1.361) 10.654 3.264 ( -2.922 -10.566 -3.255) 11.436 3.636 ( -0.712 -0.207 -0.501) 0.895 3.649 ( -1.651 -1.545 -0.801) 2.399 3.851 ( 1.044 0.682 -0.459) 1.329 3.881 ( -2.114 1.620 -1.620) 3.117 4.106 ( -0.146 -6.146 -4.435) 7.581 4.129 ( -2.475 -5.505 -4.643) 7.615 4.410 ( 1.118 -1.853 2.560) 3.353 4.438 ( -1.727 -3.708 0.225) 4.097 4.810 ( 3.004 -4.313 2.482) 5.812 4.841 ( -0.256 -3.317 1.059) 3.491 4.936 ( 4.153 -6.779 4.257) 9.018 4.998 ( -1.966 -6.148 1.881) 6.723 5.253 ( 1.513 -10.018 8.147) 13.001 5.281 ( -1.068 -9.772 7.177) 12.171 6.047 ( 3.878 3.527 -2.644) 5.871 6.071 ( 2.360 3.357 -2.997) 5.082 6.240 ( -1.473 -0.840 -1.975) 2.603 6.260 ( -2.644 -1.736 -2.601) 4.095 ======================= Grid point 189 (69/96) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 1.736 0.057) 1.737 1.058 ( 0.000 0.384 -0.890) 0.970 1.132 ( 0.000 3.214 1.193) 3.429 1.153 ( 0.000 2.931 -0.301) 2.946 1.376 ( 0.000 1.539 4.234) 4.505 1.478 ( 0.000 -6.892 -0.463) 6.908 1.598 ( 0.000 -1.751 1.326) 2.196 1.604 ( 0.000 -2.158 0.504) 2.216 2.042 ( 0.000 4.601 -3.812) 5.975 2.067 ( 0.000 2.115 -4.277) 4.772 2.190 ( 0.000 0.613 -0.706) 0.935 2.227 ( 0.000 -2.258 -1.863) 2.927 2.855 ( 0.000 5.040 -0.111) 5.041 2.899 ( 0.000 0.535 -2.437) 2.495 3.082 ( 0.000 -3.150 1.821) 3.638 3.126 ( 0.000 -6.851 -0.153) 6.853 3.503 ( 0.000 9.587 0.901) 9.629 3.554 ( 0.000 7.942 -1.688) 8.119 3.718 ( 0.000 -0.436 2.341) 2.381 3.823 ( 0.000 -7.890 -2.521) 8.283 3.923 ( 0.000 2.549 1.665) 3.045 3.996 ( 0.000 -0.942 -0.304) 0.989 4.070 ( 0.000 -1.358 -3.629) 3.875 4.101 ( 0.000 -1.768 -3.019) 3.498 4.489 ( 0.000 2.536 5.496) 6.053 4.574 ( 0.000 -5.023 2.221) 5.492 4.658 ( 0.000 0.588 5.979) 6.008 4.663 ( 0.000 1.990 6.911) 7.192 4.718 ( 0.000 -5.197 1.311) 5.360 4.724 ( 0.000 -4.293 6.153) 7.503 5.136 ( 0.000 -1.142 -6.462) 6.562 5.155 ( 0.000 -3.251 -4.307) 5.396 5.835 ( 0.000 0.209 -4.819) 4.824 5.843 ( 0.000 -0.001 -5.736) 5.736 6.293 ( 0.000 -0.179 2.922) 2.928 6.318 ( 0.000 -2.239 1.479) 2.683 ======================= Grid point 190 (70/96) ======================= q-point: ( 0.14 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.653 2.563 -0.208) 2.653 1.066 ( 0.405 1.948 -1.053) 2.251 1.113 ( -1.592 2.400 0.819) 2.994 1.141 ( -0.974 1.086 -0.484) 1.537 1.343 ( -3.111 1.065 4.092) 5.250 1.431 ( -4.555 -5.463 -0.073) 7.113 1.529 ( -6.342 -1.004 0.637) 6.453 1.555 ( -3.989 -2.347 -0.482) 4.653 2.096 ( 4.879 5.045 -2.429) 7.427 2.136 ( 5.719 1.398 -3.864) 7.042 2.211 ( 2.103 0.852 -0.754) 2.391 2.245 ( 1.562 -1.628 -1.967) 2.993 2.868 ( 0.714 4.618 0.122) 4.675 2.900 ( 0.141 1.938 -1.364) 2.374 3.083 ( -0.238 -4.506 0.427) 4.533 3.101 ( -3.009 -5.202 -0.117) 6.011 3.421 ( -7.369 10.415 1.363) 12.831 3.473 ( -8.557 9.692 -1.310) 12.995 3.644 ( -6.120 -6.702 1.148) 9.148 3.694 ( -9.669 -7.955 -1.098) 12.569 3.895 ( -2.138 3.075 2.399) 4.448 3.990 ( -4.311 -6.140 2.022) 7.770 4.067 ( 2.410 5.060 -5.096) 7.575 4.159 ( 2.285 -3.380 -5.494) 6.844 4.471 ( -0.889 1.559 2.065) 2.736 4.495 ( -4.618 0.916 1.207) 4.860 4.608 ( -0.494 -3.016 5.015) 5.873 4.659 ( -1.958 -6.116 3.695) 7.409 4.784 ( 5.988 2.648 4.833) 8.138 4.852 ( 7.366 -3.716 5.339) 9.827 5.113 ( -2.458 -2.120 -2.468) 4.077 5.139 ( -1.108 -4.425 -0.150) 4.564 5.886 ( 4.951 0.963 -5.067) 7.150 5.900 ( 5.272 -0.076 -5.875) 7.894 6.290 ( -0.407 -0.300 2.028) 2.090 6.309 ( -1.034 -1.786 1.009) 2.297 ======================= Grid point 191 (71/96) ======================= q-point: ( 0.29 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.825 5.041 -0.620) 5.145 1.055 ( -0.974 3.519 -0.361) 3.669 1.096 ( -0.138 -0.054 0.002) 0.148 1.133 ( -0.190 -2.481 -1.291) 2.804 1.277 ( -3.300 1.238 2.989) 4.621 1.334 ( -4.562 -1.369 0.184) 4.767 1.405 ( -5.851 0.254 1.125) 5.963 1.470 ( -4.735 -3.730 -1.412) 6.191 2.190 ( 4.342 5.257 -1.321) 6.945 2.240 ( 4.607 1.889 -3.370) 6.012 2.261 ( 2.657 1.150 -0.891) 3.030 2.273 ( 1.215 0.381 -1.834) 2.233 2.840 ( -3.694 6.418 1.434) 7.543 2.908 ( -0.578 2.183 -1.987) 3.008 2.999 ( -6.941 -2.461 1.316) 7.481 3.052 ( -3.371 -7.685 -0.956) 8.446 3.280 ( -6.904 8.844 0.440) 11.229 3.292 ( -7.575 12.491 0.347) 14.612 3.521 ( -5.229 -11.705 0.834) 12.847 3.550 ( -4.780 -10.789 0.071) 11.801 3.869 ( -0.433 1.883 1.022) 2.186 3.919 ( -2.134 -2.835 0.614) 3.601 4.066 ( -2.732 1.485 -6.987) 7.648 4.125 ( -5.355 -3.471 -8.762) 10.839 4.453 ( 0.428 4.621 2.663) 5.351 4.483 ( 1.059 4.356 0.451) 4.506 4.613 ( 1.207 -6.576 3.848) 7.714 4.659 ( 1.494 -8.307 1.521) 8.576 4.877 ( 3.764 4.148 5.756) 8.031 4.958 ( 3.279 -1.378 4.270) 5.557 5.066 ( -1.793 -4.423 5.030) 6.934 5.118 ( -1.098 -6.842 4.810) 8.436 5.999 ( 6.345 1.673 -4.659) 8.048 6.016 ( 6.298 0.293 -5.210) 8.179 6.271 ( -1.685 -0.563 0.014) 1.776 6.277 ( -2.371 -0.912 -0.240) 2.551 ======================= Grid point 192 (72/96) ======================= q-point: ( 0.43 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.416 3.584 -0.169) 3.612 1.050 ( 0.324 2.208 -0.409) 2.268 1.084 ( -0.857 -0.577 -0.163) 1.046 1.107 ( -2.407 -1.984 -1.013) 3.279 1.242 ( 0.236 3.822 1.670) 4.177 1.275 ( -2.499 4.765 0.233) 5.386 1.340 ( -0.010 -3.520 0.812) 3.612 1.385 ( -3.867 -4.006 -0.986) 5.655 2.251 ( 2.113 5.239 -1.239) 5.783 2.275 ( -0.460 4.178 -1.479) 4.456 2.300 ( 1.656 2.573 -2.329) 3.846 2.305 ( 1.139 0.665 -1.692) 2.145 2.771 ( -1.771 7.151 1.085) 7.446 2.813 ( -6.063 5.542 -0.788) 8.251 2.941 ( -0.024 -7.343 0.182) 7.345 2.976 ( -3.627 -9.677 -0.802) 10.366 3.194 ( -1.311 11.620 1.107) 11.746 3.208 ( -2.464 11.387 0.492) 11.661 3.478 ( 0.068 -13.853 1.299) 13.914 3.496 ( -1.594 -13.264 0.835) 13.385 3.885 ( 2.089 2.623 -2.679) 4.293 3.909 ( 0.370 0.731 -2.978) 3.088 3.998 ( -3.198 -2.819 -7.499) 8.627 4.014 ( -4.844 -4.239 -7.795) 10.109 4.474 ( 1.272 6.759 3.218) 7.593 4.491 ( -0.349 7.284 2.038) 7.572 4.654 ( 2.443 -9.821 2.235) 10.364 4.680 ( 0.069 -10.082 0.760) 10.111 4.932 ( 2.243 4.320 6.679) 8.265 4.969 ( -1.493 3.172 5.844) 6.815 5.065 ( 1.435 -8.028 7.337) 10.970 5.096 ( -1.413 -8.084 6.404) 10.410 6.111 ( 5.048 2.401 -3.308) 6.495 6.124 ( 4.525 1.420 -3.611) 5.961 6.219 ( -3.263 -0.871 -1.991) 3.921 6.225 ( -3.068 -1.383 -2.147) 3.992 ======================= Grid point 231 (73/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 0.000 -9.549) 9.549 0.483 ( 0.000 0.000 9.549) 9.549 0.579 ( 0.000 0.000 -6.630) 6.630 0.579 ( 0.000 0.000 6.630) 6.630 1.049 ( 0.000 0.000 -1.163) 1.163 1.049 ( 0.000 0.000 1.163) 1.163 1.208 ( 0.000 0.000 -12.589) 12.589 1.208 ( 0.000 0.000 12.589) 12.589 1.820 ( 0.000 0.000 -13.725) 13.725 1.820 ( 0.000 0.000 13.725) 13.725 2.314 ( 0.000 0.000 -9.880) 9.880 2.314 ( 0.000 0.000 9.880) 9.880 2.568 ( 0.000 0.000 -2.639) 2.639 2.568 ( 0.000 0.000 2.639) 2.639 2.770 ( 0.000 0.000 -14.999) 14.999 2.770 ( 0.000 0.000 14.999) 14.999 3.392 ( 0.000 0.000 -4.905) 4.905 3.392 ( 0.000 0.000 4.905) 4.905 4.008 ( 0.000 0.000 -0.871) 0.871 4.008 ( 0.000 0.000 0.871) 0.871 4.286 ( 0.000 0.000 -7.527) 7.527 4.286 ( 0.000 0.000 7.527) 7.527 4.519 ( 0.000 0.000 -5.078) 5.078 4.519 ( 0.000 0.000 5.078) 5.078 4.866 ( 0.000 0.000 -8.369) 8.369 4.866 ( 0.000 0.000 8.369) 8.369 4.994 ( 0.000 0.000 -6.696) 6.696 4.994 ( 0.000 0.000 6.696) 6.696 5.212 ( 0.000 0.000 -2.801) 2.801 5.212 ( 0.000 0.000 2.801) 2.801 5.358 ( 0.000 0.000 -2.730) 2.730 5.358 ( 0.000 0.000 2.730) 2.730 5.708 ( 0.000 0.000 -1.123) 1.123 5.708 ( 0.000 0.000 1.123) 1.123 6.595 ( 0.000 0.000 -1.089) 1.089 6.595 ( 0.000 0.000 1.089) 1.089 ======================= Grid point 233 (74/96) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 11.176 0.000 -6.509) 12.934 0.617 ( 11.176 0.000 6.509) 12.934 0.635 ( 5.355 0.000 -5.021) 7.341 0.635 ( 5.355 0.000 5.021) 7.341 1.040 ( -0.903 0.000 -1.075) 1.404 1.040 ( -0.903 0.000 1.075) 1.404 1.194 ( -0.539 0.000 -11.573) 11.585 1.194 ( -0.539 0.000 11.573) 11.585 1.816 ( -0.123 0.000 -12.037) 12.038 1.816 ( -0.123 0.000 12.037) 12.038 2.260 ( -5.262 0.000 -8.872) 10.316 2.260 ( -5.262 0.000 8.872) 10.316 2.721 ( 13.417 0.000 -3.782) 13.940 2.721 ( 13.417 0.000 3.782) 13.940 2.811 ( 4.149 0.000 -14.047) 14.647 2.811 ( 4.149 0.000 14.047) 14.647 3.398 ( 0.855 0.000 -5.481) 5.547 3.398 ( 0.855 0.000 5.481) 5.547 3.984 ( -2.584 0.000 -1.809) 3.154 3.984 ( -2.584 0.000 1.809) 3.154 4.187 ( -7.741 0.000 -6.175) 9.902 4.187 ( -7.741 0.000 6.175) 9.902 4.540 ( 0.821 0.000 -3.156) 3.261 4.540 ( 0.821 0.000 3.156) 3.261 4.815 ( -4.690 0.000 -7.141) 8.544 4.815 ( -4.690 0.000 7.141) 8.544 5.030 ( 3.138 0.000 -6.154) 6.908 5.030 ( 3.138 0.000 6.154) 6.908 5.224 ( 0.413 0.000 -2.871) 2.901 5.224 ( 0.413 0.000 2.871) 2.901 5.396 ( 3.413 0.000 -1.898) 3.906 5.396 ( 3.413 0.000 1.898) 3.906 5.752 ( 4.765 0.000 -1.683) 5.053 5.752 ( 4.765 0.000 1.683) 5.053 6.547 ( -4.749 0.000 -2.230) 5.247 6.547 ( -4.749 0.000 2.230) 5.247 ======================= Grid point 235 (75/96) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 6.444 0.000 -2.380) 6.869 0.754 ( 6.444 0.000 2.380) 6.869 0.810 ( 7.688 0.000 -4.099) 8.712 0.810 ( 7.688 0.000 4.099) 8.712 1.014 ( -1.900 0.000 -0.813) 2.067 1.014 ( -1.900 0.000 0.813) 2.067 1.222 ( 3.898 0.000 -10.279) 10.993 1.222 ( 3.898 0.000 10.279) 10.993 1.818 ( 0.100 0.000 -11.097) 11.098 1.818 ( 0.100 0.000 11.097) 11.098 2.135 ( -7.109 0.000 -6.015) 9.312 2.135 ( -7.109 0.000 6.015) 9.312 2.916 ( 6.298 0.000 -10.875) 12.567 2.916 ( 6.298 0.000 10.875) 12.567 2.959 ( 9.310 0.000 -1.587) 9.444 2.959 ( 9.310 0.000 1.587) 9.444 3.438 ( 3.509 0.000 -6.177) 7.104 3.438 ( 3.509 0.000 6.177) 7.104 3.914 ( -4.515 0.000 -2.648) 5.235 3.914 ( -4.515 0.000 2.648) 5.235 4.064 ( -4.285 0.000 -3.883) 5.782 4.064 ( -4.285 0.000 3.883) 5.782 4.543 ( -0.179 0.000 -2.354) 2.361 4.543 ( -0.179 0.000 2.354) 2.361 4.720 ( -4.535 0.000 -4.716) 6.543 4.720 ( -4.535 0.000 4.716) 6.543 5.088 ( 2.450 0.000 -7.267) 7.669 5.088 ( 2.450 0.000 7.267) 7.669 5.202 ( -2.614 0.000 -4.934) 5.584 5.202 ( -2.614 0.000 4.934) 5.584 5.463 ( 3.181 0.000 -0.870) 3.298 5.463 ( 3.181 0.000 0.870) 3.298 5.886 ( 8.870 0.000 -2.247) 9.150 5.886 ( 8.870 0.000 2.247) 9.150 6.428 ( -7.417 0.000 -3.804) 8.335 6.428 ( -7.417 0.000 3.804) 8.335 ======================= Grid point 237 (76/96) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 4.236 0.000 -0.618) 4.281 0.860 ( 4.236 0.000 0.618) 4.281 0.896 ( 1.877 0.000 -1.264) 2.263 0.896 ( 1.877 0.000 1.264) 2.263 0.970 ( -2.467 0.000 -0.348) 2.491 0.970 ( -2.467 0.000 0.348) 2.491 1.314 ( 3.954 0.000 -5.121) 6.470 1.314 ( 3.954 0.000 5.121) 6.470 1.812 ( -0.659 0.000 -7.244) 7.274 1.812 ( -0.659 0.000 7.244) 7.274 2.026 ( -3.368 0.000 -2.540) 4.218 2.026 ( -3.368 0.000 2.540) 4.218 3.019 ( 3.507 0.000 -4.465) 5.678 3.019 ( 3.507 0.000 4.465) 5.678 3.056 ( 1.810 0.000 -0.395) 1.853 3.056 ( 1.810 0.000 0.395) 1.853 3.503 ( 2.159 0.000 -2.930) 3.640 3.503 ( 2.159 0.000 2.930) 3.640 3.835 ( -2.795 0.000 -1.551) 3.197 3.835 ( -2.795 0.000 1.551) 3.197 4.030 ( -0.041 0.000 -1.423) 1.424 4.030 ( -0.041 0.000 1.423) 1.424 4.542 ( 0.073 0.000 -1.385) 1.387 4.542 ( 0.073 0.000 1.385) 1.387 4.659 ( -1.700 0.000 -1.658) 2.375 4.659 ( -1.700 0.000 1.658) 2.375 5.105 ( -0.645 0.000 -6.618) 6.649 5.105 ( -0.645 0.000 6.618) 6.649 5.160 ( -0.767 0.000 -5.615) 5.667 5.160 ( -0.767 0.000 5.615) 5.667 5.506 ( 1.202 0.000 -0.243) 1.226 5.506 ( 1.202 0.000 0.243) 1.226 6.061 ( 8.508 0.000 -2.669) 8.916 6.061 ( 8.508 0.000 2.669) 8.916 6.279 ( -7.639 0.000 -3.546) 8.422 6.279 ( -7.639 0.000 3.546) 8.422 ======================= Grid point 245 (77/96) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 3.986 -1.789) 4.369 0.494 ( 0.000 3.986 1.789) 4.369 0.702 ( 0.000 8.978 -2.311) 9.271 0.702 ( 0.000 8.978 2.311) 9.271 1.155 ( 0.000 8.889 -1.039) 8.949 1.155 ( 0.000 8.889 1.039) 8.949 1.275 ( 0.000 6.246 -11.823) 13.371 1.275 ( 0.000 6.246 11.823) 13.371 1.844 ( 0.000 2.325 -10.984) 11.227 1.844 ( 0.000 2.325 10.984) 11.227 2.270 ( 0.000 -3.637 -10.942) 11.531 2.270 ( 0.000 -3.637 10.942) 11.531 2.606 ( 0.000 3.784 -2.497) 4.534 2.606 ( 0.000 3.784 2.497) 4.534 2.835 ( 0.000 4.454 -9.686) 10.661 2.835 ( 0.000 4.454 9.686) 10.661 3.415 ( 0.000 2.537 -3.761) 4.537 3.415 ( 0.000 2.537 3.761) 4.537 3.921 ( 0.000 -7.306 -3.496) 8.099 3.921 ( 0.000 -7.306 3.496) 8.099 4.288 ( 0.000 -0.187 -6.110) 6.113 4.288 ( 0.000 -0.187 6.110) 6.113 4.474 ( 0.000 -4.938 -3.928) 6.310 4.474 ( 0.000 -4.938 3.928) 6.310 4.737 ( 0.000 -8.898 -5.874) 10.662 4.737 ( 0.000 -8.898 5.874) 10.662 5.038 ( 0.000 1.423 -8.773) 8.888 5.038 ( 0.000 1.423 8.773) 8.888 5.214 ( 0.000 -3.849 -2.410) 4.541 5.214 ( 0.000 -3.849 2.410) 4.541 5.305 ( 0.000 0.101 -2.326) 2.329 5.305 ( 0.000 0.101 2.326) 2.329 5.778 ( 0.000 4.527 -2.900) 5.376 5.778 ( 0.000 4.527 2.900) 5.376 6.555 ( 0.000 -3.463 -1.968) 3.983 6.555 ( 0.000 -3.463 1.968) 3.983 ======================= Grid point 247 (78/96) ======================= q-point: ( 0.14 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 5.468 0.105 -2.651) 6.077 0.551 ( 5.468 0.105 2.651) 6.077 0.787 ( 7.574 8.392 -2.102) 11.498 0.787 ( 7.574 8.392 2.102) 11.498 1.147 ( -0.918 8.852 -0.884) 8.943 1.147 ( -0.918 8.852 0.884) 8.943 1.252 ( -1.483 5.534 -9.891) 11.431 1.252 ( -1.483 5.534 9.891) 11.431 1.842 ( -0.072 2.653 -9.381) 9.750 1.842 ( -0.072 2.653 9.381) 9.750 2.221 ( -4.458 -3.333 -9.737) 11.216 2.221 ( -4.458 -3.333 9.737) 11.216 2.678 ( 5.694 -1.162 -3.526) 6.798 2.678 ( 5.694 -1.162 3.526) 6.798 2.913 ( 7.833 6.005 -5.511) 11.304 2.913 ( 7.833 6.005 5.511) 11.304 3.426 ( 1.330 2.853 -4.241) 5.282 3.426 ( 1.330 2.853 4.241) 5.282 3.876 ( -4.539 -8.632 -3.750) 10.449 3.876 ( -4.539 -8.632 3.750) 10.449 4.218 ( -5.634 1.622 -4.275) 7.256 4.218 ( -5.634 1.622 4.275) 7.256 4.437 ( -3.495 -9.140 -4.405) 10.731 4.437 ( -3.495 -9.140 4.405) 10.731 4.771 ( 1.865 -3.663 -4.939) 6.426 4.771 ( 1.865 -3.663 4.939) 6.426 5.045 ( 1.532 0.606 -7.430) 7.611 5.045 ( 1.532 0.606 7.430) 7.611 5.180 ( -2.065 -5.410 -2.599) 6.347 5.180 ( -2.065 -5.410 2.599) 6.347 5.395 ( 6.642 1.804 -2.069) 7.187 5.395 ( 6.642 1.804 2.069) 7.187 5.801 ( 2.703 3.192 -2.581) 4.915 5.801 ( 2.703 3.192 2.581) 4.915 6.515 ( -4.090 -2.870 -2.792) 5.724 6.515 ( -4.090 -2.870 2.792) 5.724 ======================= Grid point 249 (79/96) ======================= q-point: ( 0.29 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 6.745 -2.865 -1.721) 7.528 0.673 ( 6.745 -2.865 1.721) 7.528 0.923 ( 4.954 6.073 -2.070) 8.106 0.923 ( 4.954 6.073 2.070) 8.106 1.121 ( -1.286 8.767 -0.556) 8.878 1.121 ( -1.286 8.767 0.556) 8.878 1.257 ( 2.301 3.330 -8.105) 9.059 1.257 ( 2.301 3.330 8.105) 9.059 1.843 ( 0.086 2.651 -9.610) 9.969 1.843 ( 0.086 2.651 9.610) 9.969 2.121 ( -5.606 -1.335 -6.348) 8.574 2.121 ( -5.606 -1.335 6.348) 8.574 2.786 ( 5.476 -6.669 -7.234) 11.260 2.786 ( 5.476 -6.669 7.234) 11.260 3.073 ( 7.267 5.732 -1.713) 9.412 3.073 ( 7.267 5.732 1.713) 9.412 3.468 ( 2.538 2.593 -4.872) 6.074 3.468 ( 2.538 2.593 4.872) 6.074 3.772 ( -5.227 -11.161 -2.822) 12.644 3.772 ( -5.227 -11.161 2.822) 12.644 4.123 ( -3.881 3.189 -2.973) 5.837 4.123 ( -3.881 3.189 2.973) 5.837 4.357 ( -4.440 -12.969 -4.588) 14.455 4.357 ( -4.440 -12.969 4.588) 14.455 4.789 ( 0.638 2.505 -3.201) 4.114 4.789 ( 0.638 2.505 3.201) 4.114 5.086 ( 0.503 -1.528 -8.548) 8.698 5.086 ( 0.503 -1.528 8.548) 8.698 5.147 ( -0.242 -4.186 -5.503) 6.918 5.147 ( -0.242 -4.186 5.503) 6.918 5.502 ( 3.977 3.542 -1.192) 5.457 5.502 ( 3.977 3.542 1.192) 5.457 5.892 ( 6.822 -0.013 -2.198) 7.167 5.892 ( 6.822 -0.013 2.198) 7.167 6.410 ( -6.666 -1.665 -3.882) 7.891 6.410 ( -6.666 -1.665 3.882) 7.891 ======================= Grid point 251 (80/96) ======================= q-point: ( 0.43 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 4.732 -2.952 -0.822) 5.638 0.789 ( 4.732 -2.952 0.822) 5.638 0.939 ( -2.003 3.615 -0.629) 4.181 0.939 ( -2.003 3.615 0.629) 4.181 1.120 ( 0.636 9.770 -0.304) 9.795 1.120 ( 0.636 9.770 0.304) 9.795 1.316 ( 2.600 0.113 -4.253) 4.986 1.316 ( 2.600 0.113 4.253) 4.986 1.842 ( -0.102 3.042 -6.855) 7.501 1.842 ( -0.102 3.042 6.855) 7.501 2.033 ( -2.826 0.644 -2.998) 4.170 2.033 ( -2.826 0.644 2.998) 4.170 2.869 ( 2.662 -8.969 -3.487) 9.984 2.869 ( 2.662 -8.969 3.487) 9.984 3.167 ( 2.693 6.364 -0.188) 6.913 3.167 ( 2.693 6.364 0.188) 6.913 3.482 ( -1.008 -3.143 -2.649) 4.232 3.482 ( -1.008 -3.143 2.649) 4.232 3.719 ( -0.513 -9.342 -0.695) 9.382 3.719 ( -0.513 -9.342 0.695) 9.382 4.080 ( -0.736 3.648 -1.647) 4.069 4.080 ( -0.736 3.648 1.647) 4.069 4.289 ( -2.250 -15.210 -2.306) 15.548 4.289 ( -2.250 -15.210 2.306) 15.548 4.809 ( 1.165 6.081 -1.218) 6.310 4.809 ( 1.165 6.081 1.218) 6.310 5.043 ( -2.526 -6.077 -2.430) 7.015 5.043 ( -2.526 -6.077 2.430) 7.015 5.176 ( 1.388 1.339 -1.125) 2.233 5.176 ( 1.388 1.339 1.125) 2.233 5.547 ( 0.981 3.394 -0.310) 3.547 5.547 ( 0.981 3.394 0.310) 3.547 6.036 ( 6.933 -2.552 -2.336) 7.748 6.036 ( 6.933 -2.552 2.336) 7.748 6.277 ( -6.342 -0.157 -3.185) 7.099 6.277 ( -6.342 -0.157 3.185) 7.099 ======================= Grid point 259 (81/96) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.000 9.096 -1.061) 9.158 0.640 ( 0.000 9.096 1.061) 9.158 0.886 ( 0.000 8.300 -2.372) 8.633 0.886 ( 0.000 8.300 2.372) 8.633 1.331 ( 0.000 7.185 -1.897) 7.431 1.331 ( 0.000 7.185 1.897) 7.431 1.449 ( 0.000 10.530 -8.674) 13.643 1.449 ( 0.000 10.530 8.674) 13.643 1.905 ( 0.000 2.804 -3.556) 4.529 1.905 ( 0.000 2.804 3.556) 4.529 2.191 ( 0.000 -3.323 -10.915) 11.409 2.191 ( 0.000 -3.323 10.915) 11.409 2.722 ( 0.000 7.169 -2.849) 7.715 2.722 ( 0.000 7.169 2.849) 7.715 2.885 ( 0.000 0.453 -2.066) 2.115 2.885 ( 0.000 0.453 2.066) 2.115 3.510 ( 0.000 6.565 -1.339) 6.700 3.510 ( 0.000 6.565 1.339) 6.700 3.751 ( 0.000 -8.885 -7.299) 11.499 3.751 ( 0.000 -8.885 7.299) 11.499 4.261 ( 0.000 -3.108 -5.085) 5.959 4.261 ( 0.000 -3.108 5.085) 5.959 4.317 ( 0.000 -9.571 -1.743) 9.729 4.317 ( 0.000 -9.571 1.743) 9.729 4.583 ( 0.000 -5.237 -2.603) 5.849 4.583 ( 0.000 -5.237 2.603) 5.849 5.011 ( 0.000 -4.748 -4.800) 6.751 5.011 ( 0.000 -4.748 4.800) 6.751 5.097 ( 0.000 -4.837 -1.114) 4.964 5.097 ( 0.000 -4.837 1.114) 4.964 5.343 ( 0.000 1.003 -4.437) 4.549 5.343 ( 0.000 1.003 4.437) 4.549 5.831 ( 0.000 0.403 -5.370) 5.385 5.831 ( 0.000 0.403 5.370) 5.385 6.480 ( 0.000 -3.447 -2.220) 4.100 6.480 ( 0.000 -3.447 2.220) 4.100 ======================= Grid point 261 (82/96) ======================= q-point: ( 0.14 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.252 7.220 -1.768) 7.438 0.633 ( 0.252 7.220 1.768) 7.438 0.940 ( 4.603 6.217 -3.484) 8.484 0.940 ( 4.603 6.217 3.484) 8.484 1.309 ( -2.112 6.044 -1.907) 6.680 1.309 ( -2.112 6.044 1.907) 6.680 1.422 ( -2.536 10.403 -5.353) 11.971 1.422 ( -2.536 10.403 5.353) 11.971 1.917 ( 0.909 3.766 -4.072) 5.621 1.917 ( 0.909 3.766 4.072) 5.621 2.153 ( -3.232 -2.372 -9.606) 10.409 2.153 ( -3.232 -2.372 9.606) 10.409 2.690 ( -1.444 1.988 -2.170) 3.278 2.690 ( -1.444 1.988 2.170) 3.278 2.998 ( 8.999 2.353 -1.621) 9.442 2.998 ( 8.999 2.353 1.621) 9.442 3.521 ( 1.000 5.935 -1.540) 6.212 3.521 ( 1.000 5.935 1.540) 6.212 3.682 ( -6.863 -9.372 -6.583) 13.351 3.682 ( -6.863 -9.372 6.583) 13.351 4.175 ( -6.848 -9.038 -2.003) 11.514 4.175 ( -6.848 -9.038 2.003) 11.514 4.279 ( -3.287 -2.341 -2.970) 5.011 4.279 ( -3.287 -2.341 2.970) 5.011 4.671 ( 6.389 -6.004 -3.369) 9.392 4.671 ( 6.389 -6.004 3.369) 9.392 5.011 ( -0.401 -5.459 -3.442) 6.466 5.011 ( -0.401 -5.459 3.442) 6.466 5.062 ( -1.168 -3.715 -4.486) 5.941 5.062 ( -1.168 -3.715 4.486) 5.941 5.439 ( 7.650 0.894 -3.855) 8.613 5.439 ( 7.650 0.894 3.855) 8.613 5.836 ( 0.687 0.110 -4.449) 4.503 5.836 ( 0.687 0.110 4.449) 4.503 6.451 ( -3.012 -3.031 -2.719) 5.065 6.451 ( -3.012 -3.031 2.719) 5.065 ======================= Grid point 263 (83/96) ======================= q-point: ( 0.29 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 4.212 3.220 -1.584) 5.534 0.675 ( 4.212 3.220 1.584) 5.534 1.018 ( 2.522 3.143 -3.680) 5.457 1.018 ( 2.522 3.143 3.680) 5.457 1.267 ( -1.606 4.214 -2.366) 5.093 1.267 ( -1.606 4.214 2.366) 5.093 1.371 ( -2.450 7.565 -2.020) 8.205 1.371 ( -2.450 7.565 2.020) 8.205 1.927 ( 0.233 5.028 -6.256) 8.030 1.927 ( 0.233 5.028 6.256) 8.030 2.095 ( -2.649 -0.307 -6.337) 6.875 2.095 ( -2.649 -0.307 6.337) 6.875 2.687 ( 0.991 -2.792 -3.673) 4.719 2.687 ( 0.991 -2.792 3.673) 4.719 3.162 ( 7.392 2.371 -1.588) 7.923 3.162 ( 7.392 2.371 1.588) 7.923 3.490 ( -7.959 -9.260 -3.627) 12.738 3.490 ( -7.959 -9.260 3.627) 12.738 3.571 ( -0.174 1.726 -2.075) 2.704 3.571 ( -0.174 1.726 2.075) 2.704 4.060 ( -4.756 -10.866 -1.652) 11.976 4.060 ( -4.756 -10.866 1.652) 11.976 4.207 ( -3.804 0.438 -3.789) 5.387 4.207 ( -3.804 0.438 3.789) 5.387 4.766 ( 3.600 -5.365 -3.253) 7.234 4.766 ( 3.600 -5.365 3.253) 7.234 4.979 ( -2.657 -6.108 -1.531) 6.834 4.979 ( -2.657 -6.108 1.531) 6.834 5.103 ( 4.540 -1.886 -3.330) 5.938 5.103 ( 4.540 -1.886 3.330) 5.938 5.565 ( 4.472 1.062 -2.123) 5.063 5.565 ( 4.472 1.062 2.123) 5.063 5.875 ( 3.967 -1.032 -2.238) 4.670 5.875 ( 3.967 -1.032 2.238) 4.670 6.370 ( -5.235 -2.032 -3.347) 6.537 6.370 ( -5.235 -2.032 3.347) 6.537 ======================= Grid point 265 (84/96) ======================= q-point: ( 0.43 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 4.844 1.482 -0.954) 5.154 0.774 ( 4.844 1.482 0.954) 5.154 1.005 ( -2.902 2.370 -1.525) 4.045 1.005 ( -2.902 2.370 1.525) 4.045 1.275 ( 2.229 3.116 -2.626) 4.645 1.275 ( 2.229 3.116 2.626) 4.645 1.328 ( -2.291 2.370 -1.619) 3.672 1.328 ( -2.291 2.370 1.619) 3.672 1.937 ( 0.764 6.139 -4.854) 7.863 1.937 ( 0.764 6.139 4.854) 7.863 2.050 ( -1.856 1.055 -3.689) 4.263 2.050 ( -1.856 1.055 3.689) 4.263 2.714 ( 1.282 -5.267 -2.110) 5.816 2.714 ( 1.282 -5.267 2.110) 5.816 3.252 ( 1.561 -7.311 -2.230) 7.801 3.252 ( 1.561 -7.311 2.230) 7.801 3.356 ( -3.635 0.662 -1.399) 3.950 3.356 ( -3.635 0.662 1.399) 3.950 3.586 ( 0.567 -3.170 -0.690) 3.294 3.586 ( 0.567 -3.170 0.690) 3.294 4.000 ( -1.493 -11.296 -0.726) 11.417 4.000 ( -1.493 -11.296 0.726) 11.417 4.151 ( -1.687 1.980 -1.642) 3.076 4.151 ( -1.687 1.980 1.642) 3.076 4.828 ( 3.136 -7.531 -2.295) 8.474 4.828 ( 3.136 -7.531 2.295) 8.474 4.918 ( -3.386 -2.151 -1.368) 4.238 4.918 ( -3.386 -2.151 1.368) 4.238 5.183 ( 2.767 -1.260 -1.010) 3.204 5.183 ( 2.767 -1.260 1.010) 3.204 5.604 ( 0.437 0.833 -0.326) 0.996 5.604 ( 0.437 0.833 0.326) 0.996 5.971 ( 4.549 -2.749 -1.665) 5.570 5.971 ( 4.549 -2.749 1.665) 5.570 6.270 ( -4.253 -0.617 -2.319) 4.884 6.270 ( -4.253 -0.617 2.319) 4.884 ======================= Grid point 273 (85/96) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 8.329 -0.931) 8.381 0.822 ( 0.000 8.329 0.931) 8.381 1.021 ( 0.000 4.932 -2.932) 5.738 1.021 ( 0.000 4.932 2.932) 5.738 1.439 ( 0.000 3.550 -5.008) 6.139 1.439 ( 0.000 3.550 5.008) 6.139 1.672 ( 0.000 10.765 -4.053) 11.503 1.672 ( 0.000 10.765 4.053) 11.503 1.889 ( 0.000 -5.068 -1.429) 5.266 1.889 ( 0.000 -5.068 1.429) 5.266 2.181 ( 0.000 2.288 -4.792) 5.310 2.181 ( 0.000 2.288 4.792) 5.310 2.798 ( 0.000 -0.920 -0.855) 1.256 2.798 ( 0.000 -0.920 0.855) 1.256 2.971 ( 0.000 9.902 -0.062) 9.902 2.971 ( 0.000 9.902 0.062) 9.902 3.518 ( 0.000 -8.582 -1.430) 8.701 3.518 ( 0.000 -8.582 1.430) 8.701 3.706 ( 0.000 6.753 -6.606) 9.447 3.706 ( 0.000 6.753 6.606) 9.447 4.093 ( 0.000 -9.811 -2.962) 10.248 4.093 ( 0.000 -9.811 2.962) 10.248 4.200 ( 0.000 -3.941 -1.808) 4.336 4.200 ( 0.000 -3.941 1.808) 4.336 4.529 ( 0.000 -0.586 -0.935) 1.104 4.529 ( 0.000 -0.586 0.935) 1.104 4.884 ( 0.000 -6.544 -1.863) 6.804 4.884 ( 0.000 -6.544 1.863) 6.804 5.007 ( 0.000 -4.903 -4.162) 6.431 5.007 ( 0.000 -4.903 4.162) 6.431 5.311 ( 0.000 -4.258 -6.195) 7.518 5.311 ( 0.000 -4.258 6.195) 7.518 5.813 ( 0.000 -1.459 -4.094) 4.347 5.813 ( 0.000 -1.459 4.094) 4.347 6.419 ( 0.000 -2.696 -0.498) 2.741 6.419 ( 0.000 -2.696 0.498) 2.741 ======================= Grid point 275 (86/96) ======================= q-point: ( 0.14 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -1.536 8.515 -1.261) 8.744 0.802 ( -1.536 8.515 1.261) 8.744 1.038 ( 1.493 3.645 -3.873) 5.524 1.038 ( 1.493 3.645 3.873) 5.524 1.400 ( -3.727 3.070 -4.211) 6.407 1.400 ( -3.727 3.070 4.211) 6.407 1.613 ( -5.478 6.793 -1.812) 8.913 1.613 ( -5.478 6.793 1.812) 8.913 1.933 ( 3.675 -1.306 -3.372) 5.156 1.933 ( 3.675 -1.306 3.372) 5.156 2.173 ( -0.840 3.582 -4.509) 5.820 2.173 ( -0.840 3.582 4.509) 5.820 2.738 ( -4.396 2.274 -0.307) 4.959 2.738 ( -4.396 2.274 0.307) 4.959 3.047 ( 6.357 3.718 -1.717) 7.561 3.047 ( 6.357 3.718 1.717) 7.561 3.450 ( -7.415 -9.050 -3.603) 12.242 3.450 ( -7.415 -9.050 3.603) 12.242 3.712 ( 0.479 8.260 -2.972) 8.791 3.712 ( 0.479 8.260 2.972) 8.791 3.970 ( -7.691 -9.369 -2.891) 12.461 3.970 ( -7.691 -9.369 2.891) 12.461 4.247 ( 0.286 -2.355 -0.882) 2.531 4.247 ( 0.286 -2.355 0.882) 2.531 4.551 ( 2.364 -5.090 -2.630) 6.198 4.551 ( 2.364 -5.090 2.630) 6.198 4.885 ( -0.343 -5.929 -3.037) 6.670 4.885 ( -0.343 -5.929 3.037) 6.670 4.988 ( 0.250 -4.314 -6.276) 7.619 4.988 ( 0.250 -4.314 6.276) 7.619 5.396 ( 6.695 -5.203 -4.771) 9.729 5.396 ( 6.695 -5.203 4.771) 9.729 5.828 ( 1.720 -0.276 -2.961) 3.436 5.828 ( 1.720 -0.276 2.961) 3.436 6.396 ( -2.454 -2.496 -1.044) 3.653 6.396 ( -2.454 -2.496 1.044) 3.653 ======================= Grid point 277 (87/96) ======================= q-point: ( 0.29 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 1.093 7.504 -1.523) 7.735 0.792 ( 1.093 7.504 1.523) 7.735 1.065 ( 0.846 1.929 -4.270) 4.761 1.065 ( 0.846 1.929 4.270) 4.761 1.317 ( -4.343 1.210 -3.549) 5.737 1.317 ( -4.343 1.210 3.549) 5.737 1.489 ( -6.858 3.002 -2.001) 7.749 1.489 ( -6.858 3.002 2.001) 7.749 2.000 ( 3.094 2.686 -3.237) 5.222 2.000 ( 3.094 2.686 3.237) 5.222 2.148 ( -1.898 4.629 -4.184) 6.522 2.148 ( -1.898 4.629 4.184) 6.522 2.675 ( -1.726 1.626 -1.589) 2.854 2.675 ( -1.726 1.626 1.589) 2.854 3.150 ( -0.203 -2.876 -2.097) 3.565 3.150 ( -0.203 -2.876 2.097) 3.565 3.290 ( -3.441 -7.158 -3.754) 8.785 3.290 ( -3.441 -7.158 3.754) 8.785 3.692 ( -3.788 6.085 -2.021) 7.448 3.692 ( -3.788 6.085 2.021) 7.448 3.869 ( -2.421 -6.368 -4.185) 7.995 3.869 ( -2.421 -6.368 4.185) 7.995 4.209 ( -2.990 -1.145 -1.573) 3.567 4.209 ( -2.990 -1.145 1.573) 3.567 4.591 ( 1.258 -9.984 -3.153) 10.546 4.591 ( 1.258 -9.984 3.153) 10.546 4.885 ( 0.630 -3.780 -2.344) 4.493 4.885 ( 0.630 -3.780 2.344) 4.493 5.037 ( 4.230 -4.440 -4.383) 7.538 5.037 ( 4.230 -4.440 4.383) 7.538 5.501 ( 3.594 -7.011 -2.418) 8.241 5.501 ( 3.594 -7.011 2.418) 8.241 5.884 ( 4.191 1.885 -0.241) 4.602 5.884 ( 4.191 1.885 0.241) 4.602 6.330 ( -4.242 -1.914 -1.820) 4.997 6.330 ( -4.242 -1.914 1.820) 4.997 ======================= Grid point 279 (88/96) ======================= q-point: ( 0.43 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 3.794 5.470 -1.336) 6.790 0.847 ( 3.794 5.470 1.336) 6.790 1.042 ( -3.040 1.750 -2.398) 4.249 1.042 ( -3.040 1.750 2.398) 4.249 1.272 ( 0.029 -1.450 -2.795) 3.149 1.272 ( 0.029 -1.450 2.795) 3.149 1.378 ( -4.129 1.257 -2.169) 4.830 1.378 ( -4.129 1.257 2.169) 4.830 2.051 ( 2.418 4.076 -3.141) 5.686 2.051 ( 2.418 4.076 3.141) 5.686 2.101 ( -2.741 4.486 -3.844) 6.512 2.101 ( -2.741 4.486 3.844) 6.512 2.670 ( 0.564 0.478 -1.379) 1.565 2.670 ( 0.564 0.478 1.379) 1.565 3.026 ( -5.637 -8.217 -2.497) 10.273 3.026 ( -5.637 -8.217 2.497) 10.273 3.391 ( 8.017 -5.033 -2.191) 9.716 3.391 ( 8.017 -5.033 2.191) 9.716 3.573 ( -7.555 3.519 -1.462) 8.462 3.573 ( -7.555 3.519 1.462) 8.462 3.856 ( 0.073 -2.443 -1.348) 2.791 3.856 ( 0.073 -2.443 1.348) 2.791 4.165 ( -1.295 -1.063 -0.839) 1.874 4.165 ( -1.295 -1.063 0.839) 1.874 4.602 ( 0.172 -11.975 -1.435) 12.062 4.602 ( 0.172 -11.975 1.435) 12.062 4.896 ( 0.320 -1.459 -0.779) 1.684 4.896 ( 0.320 -1.459 0.779) 1.684 5.114 ( 2.753 -5.395 -1.533) 6.247 5.114 ( 2.753 -5.395 1.533) 6.247 5.534 ( 0.375 -7.518 -0.661) 7.556 5.534 ( 0.375 -7.518 0.661) 7.556 5.968 ( 3.463 2.256 -1.052) 4.264 5.968 ( 3.463 2.256 1.052) 4.264 6.251 ( -3.168 -1.173 -1.411) 3.661 6.251 ( -3.168 -1.173 1.411) 3.661 ======================= Grid point 287 (89/96) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 6.095 -0.428) 6.110 0.970 ( 0.000 6.095 0.428) 6.110 1.091 ( 0.000 2.347 -1.589) 2.834 1.091 ( 0.000 2.347 1.589) 2.834 1.478 ( 0.000 0.330 -5.533) 5.543 1.478 ( 0.000 0.330 5.533) 5.543 1.728 ( 0.000 -7.726 -0.101) 7.726 1.728 ( 0.000 -7.726 0.101) 7.726 1.886 ( 0.000 8.264 -3.332) 8.910 1.886 ( 0.000 8.264 3.332) 8.910 2.217 ( 0.000 0.115 -1.236) 1.242 2.217 ( 0.000 0.115 1.236) 1.242 2.795 ( 0.000 1.924 -3.202) 3.736 2.795 ( 0.000 1.924 3.202) 3.736 3.164 ( 0.000 4.676 -1.015) 4.785 3.164 ( 0.000 4.676 1.015) 4.785 3.381 ( 0.000 -0.602 -0.054) 0.604 3.381 ( 0.000 -0.602 0.054) 0.604 3.812 ( 0.000 1.725 -6.422) 6.650 3.812 ( 0.000 1.725 6.422) 6.650 3.953 ( 0.000 -2.941 -1.513) 3.308 3.953 ( 0.000 -2.941 1.513) 3.308 4.125 ( 0.000 -3.406 -0.449) 3.436 4.125 ( 0.000 -3.406 0.449) 3.436 4.540 ( 0.000 1.346 -3.524) 3.773 4.540 ( 0.000 1.346 3.524) 3.773 4.763 ( 0.000 -5.181 -1.886) 5.513 4.763 ( 0.000 -5.181 1.886) 5.513 4.899 ( 0.000 -5.210 -4.485) 6.874 4.899 ( 0.000 -5.210 4.485) 6.874 5.189 ( 0.000 -6.940 -5.541) 8.881 5.189 ( 0.000 -6.940 5.541) 8.881 5.791 ( 0.000 -0.586 -1.273) 1.401 5.791 ( 0.000 -0.586 1.273) 1.401 6.366 ( 0.000 -2.498 -0.933) 2.667 6.366 ( 0.000 -2.498 0.933) 2.667 ======================= Grid point 289 (90/96) ======================= q-point: ( 0.14 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -1.182 6.512 -0.695) 6.655 0.957 ( -1.182 6.512 0.695) 6.655 1.093 ( 0.317 1.917 -2.393) 3.082 1.093 ( 0.317 1.917 2.393) 3.082 1.435 ( -4.408 0.360 -4.321) 6.183 1.435 ( -4.408 0.360 4.321) 6.183 1.626 ( -7.467 -4.561 -2.100) 8.998 1.626 ( -7.467 -4.561 2.100) 8.998 1.978 ( 6.426 5.650 -3.554) 9.265 1.978 ( 6.426 5.650 3.554) 9.265 2.224 ( 0.486 0.721 -1.397) 1.646 2.224 ( 0.486 0.721 1.397) 1.646 2.792 ( -0.860 3.684 -1.980) 4.269 2.792 ( -0.860 3.684 1.980) 4.269 3.144 ( -1.116 2.832 -1.237) 3.286 3.144 ( -1.116 2.832 1.237) 3.286 3.319 ( -6.736 -1.237 -1.123) 6.940 3.319 ( -6.736 -1.237 1.123) 6.940 3.798 ( -4.629 -5.188 -3.311) 7.701 3.798 ( -4.629 -5.188 3.311) 7.701 3.874 ( -1.836 4.552 -2.592) 5.551 3.874 ( -1.836 4.552 2.592) 5.551 4.168 ( 0.921 -5.079 -2.185) 5.606 4.168 ( 0.921 -5.079 2.185) 5.606 4.490 ( -3.398 -0.862 -1.355) 3.758 4.490 ( -3.398 -0.862 1.355) 3.758 4.771 ( 0.271 -5.517 -2.870) 6.225 4.771 ( 0.271 -5.517 2.870) 6.225 4.904 ( 1.766 -2.957 -6.614) 7.457 4.904 ( 1.766 -2.957 6.614) 7.457 5.251 ( 4.768 -8.163 -4.151) 10.324 5.251 ( 4.768 -8.163 4.151) 10.324 5.830 ( 3.955 0.368 -0.843) 4.061 5.830 ( 3.955 0.368 0.843) 4.061 6.347 ( -1.942 -2.191 -0.640) 2.997 6.347 ( -1.942 -2.191 0.640) 2.997 ======================= Grid point 291 (91/96) ======================= q-point: ( 0.29 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.038 6.493 -1.213) 6.606 0.941 ( -0.038 6.493 1.213) 6.606 1.101 ( 0.297 1.470 -2.956) 3.314 1.101 ( 0.297 1.470 2.956) 3.314 1.326 ( -6.216 -0.135 -1.722) 6.452 1.326 ( -6.216 -0.135 1.722) 6.452 1.490 ( -6.501 -2.196 -2.569) 7.327 1.490 ( -6.501 -2.196 2.569) 7.327 2.085 ( 4.481 5.499 -2.722) 7.598 2.085 ( 4.481 5.499 2.722) 7.598 2.222 ( -1.027 2.442 -1.791) 3.198 2.222 ( -1.027 2.442 1.791) 3.198 2.752 ( -2.893 5.664 -2.158) 6.716 2.752 ( -2.893 5.664 2.158) 6.716 3.137 ( -9.027 2.504 -1.604) 9.504 3.137 ( -9.027 2.504 1.604) 9.504 3.161 ( 0.989 -5.974 -4.862) 7.766 3.161 ( 0.989 -5.974 4.862) 7.766 3.694 ( -4.387 -4.575 -0.555) 6.362 3.694 ( -4.387 -4.575 0.555) 6.362 3.872 ( -0.259 3.749 -3.330) 5.021 3.872 ( -0.259 3.749 3.330) 5.021 4.128 ( -3.914 -7.004 -2.436) 8.385 4.128 ( -3.914 -7.004 2.436) 8.385 4.450 ( -0.978 -2.228 -1.257) 2.739 4.450 ( -0.978 -2.228 1.257) 2.739 4.796 ( 2.444 -5.760 -2.157) 6.618 4.796 ( 2.444 -5.760 2.157) 6.618 4.955 ( 2.978 -2.180 -4.747) 6.012 4.955 ( 2.978 -2.180 4.747) 6.012 5.323 ( 2.357 -9.621 -2.344) 10.179 5.323 ( 2.357 -9.621 2.344) 10.179 5.928 ( 5.817 1.968 -0.908) 6.207 5.928 ( 5.817 1.968 0.908) 6.207 6.294 ( -3.516 -1.528 -0.487) 3.864 6.294 ( -3.516 -1.528 0.487) 3.864 ======================= Grid point 293 (92/96) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 2.208 5.199 -1.260) 5.787 0.965 ( 2.208 5.199 1.260) 5.787 1.082 ( -2.463 1.776 -1.894) 3.579 1.082 ( -2.463 1.776 1.894) 3.579 1.244 ( -1.680 -0.749 -0.679) 1.961 1.244 ( -1.680 -0.749 0.679) 1.961 1.392 ( -3.238 0.182 -1.552) 3.595 1.392 ( -3.238 0.182 1.552) 3.595 2.146 ( 2.243 5.159 -2.359) 6.100 2.146 ( 2.243 5.159 2.359) 6.100 2.187 ( -2.224 4.655 -2.577) 5.767 2.187 ( -2.224 4.655 2.577) 5.767 2.709 ( -1.168 2.964 -1.445) 3.498 2.709 ( -1.168 2.964 1.445) 3.498 2.983 ( -4.660 3.332 -1.866) 6.024 2.983 ( -4.660 3.332 1.866) 6.024 3.211 ( 2.019 -9.838 -2.276) 10.298 3.211 ( 2.019 -9.838 2.276) 10.298 3.635 ( -1.786 0.004 -0.471) 1.847 3.635 ( -1.786 0.004 0.471) 1.847 3.861 ( -0.553 1.494 -1.076) 1.923 3.861 ( -0.553 1.494 1.076) 1.923 4.068 ( -1.781 -8.919 -1.025) 9.153 4.068 ( -1.781 -8.919 1.025) 9.153 4.440 ( -0.258 -1.795 -0.599) 1.910 4.440 ( -0.258 -1.795 0.599) 1.910 4.839 ( 1.419 -5.275 -0.862) 5.531 4.839 ( 1.419 -5.275 0.862) 5.531 5.003 ( 1.623 -3.458 -1.928) 4.278 5.003 ( 1.623 -3.458 1.928) 4.278 5.344 ( 0.276 -10.120 -0.894) 10.163 5.344 ( 0.276 -10.120 0.894) 10.163 6.029 ( 3.981 3.150 -0.913) 5.158 6.029 ( 3.981 3.150 0.913) 5.158 6.225 ( -3.064 -1.356 -0.679) 3.419 6.225 ( -3.064 -1.356 0.679) 3.419 ======================= Grid point 301 (93/96) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 1.117 -0.407) 1.189 1.045 ( 0.000 1.117 0.407) 1.189 1.148 ( 0.000 3.156 -0.470) 3.191 1.148 ( 0.000 3.156 0.470) 3.191 1.448 ( 0.000 -2.764 -3.037) 4.106 1.448 ( 0.000 -2.764 3.037) 4.106 1.608 ( 0.000 -2.771 -0.031) 2.771 1.608 ( 0.000 -2.771 0.031) 2.771 2.012 ( 0.000 3.494 -0.894) 3.607 2.012 ( 0.000 3.494 0.894) 3.607 2.196 ( 0.000 -1.198 -1.189) 1.688 2.196 ( 0.000 -1.198 1.189) 1.688 2.866 ( 0.000 3.578 -1.225) 3.782 2.866 ( 0.000 3.578 1.225) 3.782 3.111 ( 0.000 -4.402 -1.305) 4.591 3.111 ( 0.000 -4.402 1.305) 4.591 3.526 ( 0.000 8.699 -1.440) 8.817 3.526 ( 0.000 8.699 1.440) 8.817 3.769 ( 0.000 -4.424 -3.083) 5.393 3.769 ( 0.000 -4.424 3.083) 5.393 3.965 ( 0.000 2.943 -2.762) 4.036 3.965 ( 0.000 2.943 2.762) 4.036 4.055 ( 0.000 -3.807 -1.689) 4.165 4.055 ( 0.000 -3.807 1.689) 4.165 4.569 ( 0.000 1.075 -2.745) 2.948 4.569 ( 0.000 1.075 2.745) 2.948 4.683 ( 0.000 -2.377 -0.217) 2.387 4.683 ( 0.000 -2.377 0.217) 2.387 4.824 ( 0.000 -1.729 -2.364) 2.929 4.824 ( 0.000 -1.729 2.364) 2.929 5.069 ( 0.000 -3.775 -2.346) 4.445 5.069 ( 0.000 -3.775 2.346) 4.445 5.786 ( 0.000 -0.002 -0.053) 0.053 5.786 ( 0.000 -0.002 0.053) 0.053 6.326 ( 0.000 -1.175 -0.671) 1.353 6.326 ( 0.000 -1.175 0.671) 1.353 ======================= Grid point 303 (94/96) ======================= q-point: ( 0.14 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.409 2.193 -0.473) 2.280 1.051 ( 0.409 2.193 0.473) 2.280 1.129 ( -1.609 1.831 -0.823) 2.573 1.129 ( -1.609 1.831 0.823) 2.573 1.410 ( -3.761 -2.287 -2.628) 5.126 1.410 ( -3.761 -2.287 2.628) 5.126 1.540 ( -5.724 -2.216 -0.852) 6.197 1.540 ( -5.724 -2.216 0.852) 6.197 2.084 ( 5.949 3.462 -1.219) 6.990 2.084 ( 5.949 3.462 1.219) 6.990 2.215 ( 1.769 -0.920 -1.042) 2.250 2.215 ( 1.769 -0.920 1.042) 2.250 2.878 ( 0.938 3.672 -0.943) 3.906 2.878 ( 0.938 3.672 0.943) 3.906 3.093 ( -2.072 -3.824 -0.617) 4.393 3.093 ( -2.072 -3.824 0.617) 4.393 3.448 ( -7.548 9.544 -1.446) 12.254 3.448 ( -7.548 9.544 1.446) 12.254 3.670 ( -7.970 -7.397 -1.483) 10.974 3.670 ( -7.970 -7.397 1.483) 10.974 3.960 ( -1.450 3.761 -4.474) 6.022 3.960 ( -1.450 3.761 4.474) 6.022 4.065 ( -0.433 -4.641 -4.307) 6.346 4.065 ( -0.433 -4.641 4.307) 6.346 4.497 ( -3.897 0.933 -0.718) 4.071 4.497 ( -3.897 0.933 0.718) 4.071 4.668 ( -1.220 -3.676 -1.596) 4.189 4.668 ( -1.220 -3.676 1.596) 4.189 4.892 ( 5.075 1.207 -3.729) 6.412 4.892 ( 5.075 1.207 3.729) 6.412 5.103 ( 2.611 -5.264 -2.584) 6.419 5.103 ( 2.611 -5.264 2.584) 6.419 5.838 ( 5.029 0.254 -0.392) 5.050 5.838 ( 5.029 0.254 0.392) 5.050 6.313 ( -1.392 -0.986 -0.511) 1.780 6.313 ( -1.392 -0.986 0.511) 1.780 ======================= Grid point 305 (95/96) ======================= q-point: ( 0.29 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.727 4.185 -0.219) 4.254 1.048 ( -0.727 4.185 0.219) 4.254 1.108 ( -0.495 -1.305 -1.192) 1.835 1.108 ( -0.495 -1.305 1.192) 1.835 1.324 ( -4.536 0.228 -1.666) 4.838 1.324 ( -4.536 0.228 1.666) 4.838 1.434 ( -4.933 -2.452 -2.075) 5.887 1.434 ( -4.933 -2.452 2.075) 5.887 2.191 ( 4.617 4.116 -1.484) 6.361 2.191 ( 4.617 4.116 1.484) 6.361 2.254 ( 2.069 0.291 -0.286) 2.108 2.254 ( 2.069 0.291 0.286) 2.108 2.871 ( -2.691 4.893 -1.922) 5.906 2.871 ( -2.691 4.893 1.922) 5.906 3.028 ( -4.355 -5.203 -1.597) 6.970 3.028 ( -4.355 -5.203 1.597) 6.970 3.290 ( -7.278 11.020 -0.513) 13.216 3.290 ( -7.278 11.020 0.513) 13.216 3.540 ( -4.559 -11.050 -1.001) 11.996 3.540 ( -4.559 -11.050 1.001) 11.996 3.921 ( -2.296 1.351 -3.419) 4.335 3.921 ( -2.296 1.351 3.419) 4.335 4.001 ( -5.259 -3.861 -3.441) 7.376 4.001 ( -5.259 -3.861 3.441) 7.376 4.481 ( 1.317 3.548 -0.754) 3.859 4.481 ( 1.317 3.548 0.754) 3.859 4.660 ( 0.587 -6.152 -1.293) 6.314 4.660 ( 0.587 -6.152 1.293) 6.314 4.974 ( 3.253 3.273 -3.102) 5.560 4.974 ( 3.253 3.273 3.102) 5.560 5.142 ( 1.228 -7.279 -2.238) 7.714 5.142 ( 1.228 -7.279 2.238) 7.714 5.956 ( 6.853 0.747 -0.564) 6.917 5.956 ( 6.853 0.747 0.564) 6.917 6.271 ( -3.017 -0.636 -0.147) 3.087 6.271 ( -3.017 -0.636 0.147) 3.087 ======================= Grid point 307 (96/96) ======================= q-point: ( 0.43 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.518 2.692 -0.289) 2.757 1.044 ( 0.518 2.692 0.289) 2.757 1.089 ( -1.535 -1.096 -0.715) 2.018 1.089 ( -1.536 -1.096 0.715) 2.018 1.269 ( -0.991 3.189 -0.969) 3.478 1.269 ( -0.991 3.189 0.969) 3.478 1.362 ( -2.330 -3.229 -1.371) 4.212 1.362 ( -2.330 -3.229 1.371) 4.212 2.248 ( 1.423 4.787 -0.926) 5.079 2.248 ( 1.423 4.787 0.926) 5.079 2.284 ( 0.882 2.408 -0.376) 2.591 2.284 ( 0.882 2.408 0.376) 2.591 2.793 ( -3.457 5.895 -1.245) 6.947 2.793 ( -3.457 5.895 1.245) 6.947 2.956 ( -2.501 -8.661 -1.188) 9.093 2.956 ( -2.501 -8.661 1.188) 9.093 3.209 ( -1.550 11.971 -0.470) 12.080 3.209 ( -1.550 11.971 0.470) 12.080 3.498 ( -0.549 -13.353 -0.673) 13.381 3.498 ( -0.549 -13.353 0.673) 13.381 3.884 ( -1.300 0.743 -1.702) 2.267 3.884 ( -1.300 0.743 1.702) 2.267 3.919 ( -2.457 -3.513 -1.399) 4.509 3.919 ( -2.457 -3.513 1.399) 4.509 4.506 ( 0.802 6.627 -0.417) 6.689 4.506 ( 0.802 6.627 0.417) 6.689 4.679 ( 0.854 -8.963 -0.681) 9.029 4.679 ( 0.854 -8.963 0.681) 9.029 5.016 ( 1.156 3.962 -1.308) 4.329 5.016 ( 1.156 3.962 1.308) 4.329 5.152 ( 0.054 -8.281 -1.012) 8.343 5.152 ( 0.054 -8.281 1.012) 8.343 6.080 ( 5.751 1.585 -0.471) 5.984 6.080 ( 5.751 1.585 0.471) 5.984 6.200 ( -4.262 -0.910 -0.224) 4.364 6.200 ( -4.262 -0.910 0.224) 4.364 =================== 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 3/16632 10.0 42.123 61.976 26.908 0.000 0.000 0.000 3/16632 20.0 12.561 19.257 7.909 0.000 0.000 0.000 3/16632 30.0 6.171 9.344 4.015 0.000 0.000 0.000 3/16632 40.0 3.802 5.696 2.537 0.000 0.000 0.000 3/16632 50.0 2.687 3.999 1.819 0.000 0.000 0.000 3/16632 60.0 2.069 3.070 1.413 0.000 0.000 0.000 3/16632 70.0 1.685 2.497 1.157 0.000 0.000 0.000 3/16632 80.0 1.424 2.111 0.981 0.000 0.000 0.000 3/16632 90.0 1.236 1.833 0.854 0.000 0.000 0.000 3/16632 100.0 1.093 1.623 0.757 0.000 0.000 0.000 3/16632 110.0 0.981 1.458 0.681 0.000 0.000 0.000 3/16632 120.0 0.891 1.324 0.619 0.000 0.000 0.000 3/16632 130.0 0.817 1.214 0.568 0.000 0.000 0.000 3/16632 140.0 0.754 1.122 0.524 0.000 0.000 0.000 3/16632 150.0 0.701 1.042 0.488 0.000 0.000 0.000 3/16632 160.0 0.654 0.974 0.456 0.000 0.000 0.000 3/16632 170.0 0.614 0.914 0.428 0.000 0.000 0.000 3/16632 180.0 0.578 0.862 0.403 0.000 0.000 0.000 3/16632 190.0 0.547 0.815 0.381 0.000 0.000 0.000 3/16632 200.0 0.519 0.773 0.362 0.000 0.000 0.000 3/16632 210.0 0.493 0.735 0.344 0.000 0.000 0.000 3/16632 220.0 0.470 0.701 0.328 0.000 0.000 0.000 3/16632 230.0 0.449 0.670 0.314 0.000 0.000 0.000 3/16632 240.0 0.430 0.641 0.300 0.000 0.000 0.000 3/16632 250.0 0.413 0.615 0.288 0.000 0.000 0.000 3/16632 260.0 0.396 0.591 0.277 0.000 0.000 0.000 3/16632 270.0 0.381 0.569 0.266 0.000 0.000 0.000 3/16632 280.0 0.368 0.548 0.257 0.000 0.000 0.000 3/16632 290.0 0.355 0.529 0.248 0.000 0.000 0.000 3/16632 300.0 0.343 0.511 0.239 0.000 0.000 0.000 3/16632 310.0 0.332 0.495 0.232 0.000 0.000 0.000 3/16632 320.0 0.321 0.479 0.224 0.000 0.000 0.000 3/16632 330.0 0.311 0.464 0.218 0.000 0.000 0.000 3/16632 340.0 0.302 0.451 0.211 0.000 0.000 0.000 3/16632 350.0 0.293 0.438 0.205 0.000 0.000 0.000 3/16632 360.0 0.285 0.425 0.199 0.000 0.000 0.000 3/16632 370.0 0.277 0.414 0.194 0.000 0.000 0.000 3/16632 380.0 0.270 0.403 0.189 0.000 0.000 0.000 3/16632 390.0 0.263 0.393 0.184 0.000 0.000 0.000 3/16632 400.0 0.256 0.383 0.179 0.000 0.000 0.000 3/16632 410.0 0.250 0.373 0.175 0.000 0.000 0.000 3/16632 420.0 0.244 0.364 0.171 0.000 0.000 0.000 3/16632 430.0 0.238 0.356 0.167 0.000 0.000 0.000 3/16632 440.0 0.233 0.348 0.163 0.000 0.000 0.000 3/16632 450.0 0.228 0.340 0.159 0.000 0.000 0.000 3/16632 460.0 0.223 0.333 0.156 0.000 0.000 0.000 3/16632 470.0 0.218 0.325 0.152 0.000 0.000 0.000 3/16632 480.0 0.213 0.319 0.149 0.000 0.000 0.000 3/16632 490.0 0.209 0.312 0.146 0.000 0.000 0.000 3/16632 500.0 0.205 0.306 0.143 0.000 0.000 0.000 3/16632 510.0 0.201 0.300 0.140 0.000 0.000 0.000 3/16632 520.0 0.197 0.294 0.138 0.000 0.000 0.000 3/16632 530.0 0.193 0.288 0.135 0.000 0.000 0.000 3/16632 540.0 0.190 0.283 0.133 0.000 0.000 0.000 3/16632 550.0 0.186 0.278 0.130 0.000 0.000 0.000 3/16632 560.0 0.183 0.273 0.128 0.000 0.000 0.000 3/16632 570.0 0.180 0.268 0.126 0.000 0.000 0.000 3/16632 580.0 0.176 0.264 0.123 0.000 0.000 0.000 3/16632 590.0 0.173 0.259 0.121 0.000 0.000 0.000 3/16632 600.0 0.171 0.255 0.119 0.000 0.000 0.000 3/16632 610.0 0.168 0.251 0.117 0.000 0.000 0.000 3/16632 620.0 0.165 0.247 0.115 0.000 0.000 0.000 3/16632 630.0 0.162 0.243 0.114 0.000 0.000 0.000 3/16632 640.0 0.160 0.239 0.112 0.000 0.000 0.000 3/16632 650.0 0.157 0.235 0.110 0.000 0.000 0.000 3/16632 660.0 0.155 0.232 0.108 0.000 0.000 0.000 3/16632 670.0 0.153 0.228 0.107 0.000 0.000 0.000 3/16632 680.0 0.150 0.225 0.105 0.000 0.000 0.000 3/16632 690.0 0.148 0.221 0.104 0.000 0.000 0.000 3/16632 700.0 0.146 0.218 0.102 0.000 0.000 0.000 3/16632 710.0 0.144 0.215 0.101 0.000 0.000 0.000 3/16632 720.0 0.142 0.212 0.099 0.000 0.000 0.000 3/16632 730.0 0.140 0.209 0.098 0.000 0.000 0.000 3/16632 740.0 0.138 0.207 0.097 0.000 0.000 0.000 3/16632 750.0 0.136 0.204 0.095 0.000 0.000 0.000 3/16632 760.0 0.135 0.201 0.094 0.000 0.000 0.000 3/16632 770.0 0.133 0.198 0.093 0.000 0.000 0.000 3/16632 780.0 0.131 0.196 0.092 0.000 0.000 0.000 3/16632 790.0 0.129 0.193 0.091 0.000 0.000 0.000 3/16632 800.0 0.128 0.191 0.089 0.000 0.000 0.000 3/16632 810.0 0.126 0.189 0.088 0.000 0.000 0.000 3/16632 820.0 0.125 0.186 0.087 0.000 0.000 0.000 3/16632 830.0 0.123 0.184 0.086 0.000 0.000 0.000 3/16632 840.0 0.122 0.182 0.085 0.000 0.000 0.000 3/16632 850.0 0.120 0.180 0.084 0.000 0.000 0.000 3/16632 860.0 0.119 0.178 0.083 0.000 0.000 0.000 3/16632 870.0 0.118 0.176 0.082 0.000 0.000 0.000 3/16632 880.0 0.116 0.174 0.081 0.000 0.000 0.000 3/16632 890.0 0.115 0.172 0.080 0.000 0.000 0.000 3/16632 900.0 0.114 0.170 0.080 0.000 0.000 0.000 3/16632 910.0 0.112 0.168 0.079 0.000 0.000 0.000 3/16632 920.0 0.111 0.166 0.078 0.000 0.000 0.000 3/16632 930.0 0.110 0.164 0.077 0.000 0.000 0.000 3/16632 940.0 0.109 0.163 0.076 0.000 0.000 0.000 3/16632 950.0 0.108 0.161 0.075 0.000 0.000 0.000 3/16632 960.0 0.107 0.159 0.075 0.000 0.000 0.000 3/16632 970.0 0.105 0.158 0.074 0.000 0.000 0.000 3/16632 980.0 0.104 0.156 0.073 0.000 0.000 0.000 3/16632 990.0 0.103 0.154 0.072 0.000 0.000 0.000 3/16632 1000.0 0.102 0.153 0.072 0.000 0.000 0.000 3/16632 Thermal conductivity related properties were written into "kappa-m7116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:24:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|