----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:53:34]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.258134930949360 -2.041836910000000 0.000000000000000 b 3.258134930949360 2.041836910000000 0.000000000000000 c -2.016828983705276 0.000000000000000 7.007567013427285 Atomic positions (fractional): *1 C 0.85421207830470 0.57546420115754 0.93921859609402 12.011 2 C 0.42453579884246 0.14578792169530 0.56078140390598 12.011 3 C 0.57546420115754 0.85421207830470 0.43921859609402 12.011 4 C 0.14578792169530 0.42453579884246 0.06078140390598 12.011 *5 Ca 0.17141241540268 0.82858758459732 0.75000000000000 40.078 6 Ca 0.82858758459732 0.17141241540267 0.25000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.516269861898721 0.000000000000000 0.000000000000000 b 0.000000000000000 4.083673820000000 0.000000000000000 c -2.016828983705276 0.000000000000000 7.007567013427285 Atomic positions (fractional): *1 C 0.21483813973112 0.36062606142642 0.93921859609402 12.011 > 1 2 C 0.78516186026888 0.36062606142642 0.56078140390598 12.011 > 2 3 C 0.21483813973112 0.63937393857358 0.43921859609402 12.011 > 3 4 C 0.78516186026888 0.63937393857358 0.06078140390598 12.011 > 4 5 C 0.71483813973112 0.86062606142642 0.93921859609402 12.011 > 1 6 C 0.28516186026888 0.86062606142642 0.56078140390598 12.011 > 2 7 C 0.71483813973112 0.13937393857358 0.43921859609402 12.011 > 3 8 C 0.28516186026888 0.13937393857358 0.06078140390598 12.011 > 4 *9 Ca 0.00000000000000 0.82858758459732 0.75000000000000 40.078 > 5 10 Ca 0.00000000000000 0.17141241540267 0.25000000000000 40.078 > 6 11 Ca 0.50000000000000 0.32858758459733 0.75000000000000 40.078 > 5 12 Ca 0.50000000000000 0.67141241540268 0.25000000000000 40.078 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.032539723797441 0.000000000000000 0.000000000000000 b 0.000000000000000 12.251021459999999 0.000000000000000 c -4.033657967410552 0.000000000000000 14.015134026854570 Atomic positions (fractional): *1 C 0.10741906986556 0.12020868714214 0.46960929804701 12.011 > 1 2 C 0.60741906986556 0.12020868714214 0.46960929804701 12.011 > 1 3 C 0.10741906986556 0.45354202047547 0.46960929804701 12.011 > 1 4 C 0.60741906986556 0.45354202047547 0.46960929804701 12.011 > 1 5 C 0.10741906986556 0.78687535380881 0.46960929804701 12.011 > 1 6 C 0.60741906986556 0.78687535380881 0.46960929804701 12.011 > 1 7 C 0.10741906986556 0.12020868714214 0.96960929804701 12.011 > 1 8 C 0.60741906986556 0.12020868714214 0.96960929804701 12.011 > 1 9 C 0.10741906986556 0.45354202047547 0.96960929804701 12.011 > 1 10 C 0.60741906986556 0.45354202047547 0.96960929804701 12.011 > 1 11 C 0.10741906986556 0.78687535380881 0.96960929804701 12.011 > 1 12 C 0.60741906986556 0.78687535380881 0.96960929804701 12.011 > 1 13 C 0.39258093013444 0.12020868714214 0.28039070195299 12.011 > 2 14 C 0.89258093013444 0.12020868714214 0.28039070195299 12.011 > 2 15 C 0.39258093013444 0.45354202047547 0.28039070195299 12.011 > 2 16 C 0.89258093013444 0.45354202047547 0.28039070195299 12.011 > 2 17 C 0.39258093013444 0.78687535380881 0.28039070195299 12.011 > 2 18 C 0.89258093013444 0.78687535380881 0.28039070195299 12.011 > 2 19 C 0.39258093013444 0.12020868714214 0.78039070195299 12.011 > 2 20 C 0.89258093013444 0.12020868714214 0.78039070195299 12.011 > 2 21 C 0.39258093013444 0.45354202047547 0.78039070195299 12.011 > 2 22 C 0.89258093013444 0.45354202047547 0.78039070195299 12.011 > 2 23 C 0.39258093013444 0.78687535380881 0.78039070195299 12.011 > 2 24 C 0.89258093013444 0.78687535380881 0.78039070195299 12.011 > 2 25 C 0.10741906986556 0.21312464619119 0.21960929804701 12.011 > 3 26 C 0.60741906986556 0.21312464619119 0.21960929804701 12.011 > 3 27 C 0.10741906986556 0.54645797952453 0.21960929804701 12.011 > 3 28 C 0.60741906986556 0.54645797952453 0.21960929804701 12.011 > 3 29 C 0.10741906986556 0.87979131285786 0.21960929804701 12.011 > 3 30 C 0.60741906986556 0.87979131285786 0.21960929804701 12.011 > 3 31 C 0.10741906986556 0.21312464619119 0.71960929804701 12.011 > 3 32 C 0.60741906986556 0.21312464619119 0.71960929804701 12.011 > 3 33 C 0.10741906986556 0.54645797952453 0.71960929804701 12.011 > 3 34 C 0.60741906986556 0.54645797952453 0.71960929804701 12.011 > 3 35 C 0.10741906986556 0.87979131285786 0.71960929804701 12.011 > 3 36 C 0.60741906986556 0.87979131285786 0.71960929804701 12.011 > 3 37 C 0.39258093013444 0.21312464619119 0.03039070195299 12.011 > 4 38 C 0.89258093013444 0.21312464619119 0.03039070195299 12.011 > 4 39 C 0.39258093013444 0.54645797952453 0.03039070195299 12.011 > 4 40 C 0.89258093013444 0.54645797952453 0.03039070195299 12.011 > 4 41 C 0.39258093013444 0.87979131285786 0.03039070195299 12.011 > 4 42 C 0.89258093013444 0.87979131285786 0.03039070195299 12.011 > 4 43 C 0.39258093013444 0.21312464619119 0.53039070195299 12.011 > 4 44 C 0.89258093013444 0.21312464619119 0.53039070195299 12.011 > 4 45 C 0.39258093013444 0.54645797952453 0.53039070195299 12.011 > 4 46 C 0.89258093013444 0.54645797952453 0.53039070195299 12.011 > 4 47 C 0.39258093013444 0.87979131285786 0.53039070195299 12.011 > 4 48 C 0.89258093013444 0.87979131285786 0.53039070195299 12.011 > 4 49 C 0.35741906986556 0.28687535380881 0.46960929804701 12.011 > 1 50 C 0.85741906986556 0.28687535380881 0.46960929804701 12.011 > 1 51 C 0.35741906986556 0.62020868714214 0.46960929804701 12.011 > 1 52 C 0.85741906986556 0.62020868714214 0.46960929804701 12.011 > 1 53 C 0.35741906986556 0.95354202047547 0.46960929804701 12.011 > 1 54 C 0.85741906986556 0.95354202047547 0.46960929804701 12.011 > 1 55 C 0.35741906986556 0.28687535380881 0.96960929804701 12.011 > 1 56 C 0.85741906986556 0.28687535380881 0.96960929804701 12.011 > 1 57 C 0.35741906986556 0.62020868714214 0.96960929804701 12.011 > 1 58 C 0.85741906986556 0.62020868714214 0.96960929804701 12.011 > 1 59 C 0.35741906986556 0.95354202047547 0.96960929804701 12.011 > 1 60 C 0.85741906986556 0.95354202047547 0.96960929804701 12.011 > 1 61 C 0.14258093013444 0.28687535380881 0.28039070195299 12.011 > 2 62 C 0.64258093013444 0.28687535380881 0.28039070195299 12.011 > 2 63 C 0.14258093013444 0.62020868714214 0.28039070195299 12.011 > 2 64 C 0.64258093013444 0.62020868714214 0.28039070195299 12.011 > 2 65 C 0.14258093013444 0.95354202047547 0.28039070195299 12.011 > 2 66 C 0.64258093013444 0.95354202047547 0.28039070195299 12.011 > 2 67 C 0.14258093013444 0.28687535380881 0.78039070195299 12.011 > 2 68 C 0.64258093013444 0.28687535380881 0.78039070195299 12.011 > 2 69 C 0.14258093013444 0.62020868714214 0.78039070195299 12.011 > 2 70 C 0.64258093013444 0.62020868714214 0.78039070195299 12.011 > 2 71 C 0.14258093013444 0.95354202047547 0.78039070195299 12.011 > 2 72 C 0.64258093013444 0.95354202047547 0.78039070195299 12.011 > 2 73 C 0.35741906986556 0.04645797952453 0.21960929804701 12.011 > 3 74 C 0.85741906986556 0.04645797952453 0.21960929804701 12.011 > 3 75 C 0.35741906986556 0.37979131285786 0.21960929804701 12.011 > 3 76 C 0.85741906986556 0.37979131285786 0.21960929804701 12.011 > 3 77 C 0.35741906986556 0.71312464619119 0.21960929804701 12.011 > 3 78 C 0.85741906986556 0.71312464619119 0.21960929804701 12.011 > 3 79 C 0.35741906986556 0.04645797952453 0.71960929804701 12.011 > 3 80 C 0.85741906986556 0.04645797952453 0.71960929804701 12.011 > 3 81 C 0.35741906986556 0.37979131285786 0.71960929804701 12.011 > 3 82 C 0.85741906986556 0.37979131285786 0.71960929804701 12.011 > 3 83 C 0.35741906986556 0.71312464619119 0.71960929804701 12.011 > 3 84 C 0.85741906986556 0.71312464619119 0.71960929804701 12.011 > 3 85 C 0.14258093013444 0.04645797952453 0.03039070195299 12.011 > 4 86 C 0.64258093013444 0.04645797952453 0.03039070195299 12.011 > 4 87 C 0.14258093013444 0.37979131285786 0.03039070195299 12.011 > 4 88 C 0.64258093013444 0.37979131285786 0.03039070195299 12.011 > 4 89 C 0.14258093013444 0.71312464619119 0.03039070195299 12.011 > 4 90 C 0.64258093013444 0.71312464619119 0.03039070195299 12.011 > 4 91 C 0.14258093013444 0.04645797952453 0.53039070195299 12.011 > 4 92 C 0.64258093013444 0.04645797952453 0.53039070195299 12.011 > 4 93 C 0.14258093013444 0.37979131285786 0.53039070195299 12.011 > 4 94 C 0.64258093013444 0.37979131285786 0.53039070195299 12.011 > 4 95 C 0.14258093013444 0.71312464619119 0.53039070195299 12.011 > 4 96 C 0.64258093013444 0.71312464619119 0.53039070195299 12.011 > 4 *97 Ca 0.00000000000000 0.27619586153244 0.37500000000000 40.078 > 5 98 Ca 0.50000000000000 0.27619586153244 0.37500000000000 40.078 > 5 99 Ca 0.00000000000000 0.60952919486577 0.37500000000000 40.078 > 5 100 Ca 0.50000000000000 0.60952919486577 0.37500000000000 40.078 > 5 101 Ca 0.00000000000000 0.94286252819911 0.37500000000000 40.078 > 5 102 Ca 0.50000000000000 0.94286252819911 0.37500000000000 40.078 > 5 103 Ca 0.00000000000000 0.27619586153244 0.87500000000000 40.078 > 5 104 Ca 0.50000000000000 0.27619586153244 0.87500000000000 40.078 > 5 105 Ca 0.00000000000000 0.60952919486577 0.87500000000000 40.078 > 5 106 Ca 0.50000000000000 0.60952919486577 0.87500000000000 40.078 > 5 107 Ca 0.00000000000000 0.94286252819911 0.87500000000000 40.078 > 5 108 Ca 0.50000000000000 0.94286252819911 0.87500000000000 40.078 > 5 109 Ca 0.00000000000000 0.05713747180089 0.12500000000000 40.078 > 6 110 Ca 0.50000000000000 0.05713747180089 0.12500000000000 40.078 > 6 111 Ca 0.00000000000000 0.39047080513422 0.12500000000000 40.078 > 6 112 Ca 0.50000000000000 0.39047080513422 0.12500000000000 40.078 > 6 113 Ca 0.00000000000000 0.72380413846756 0.12500000000000 40.078 > 6 114 Ca 0.50000000000000 0.72380413846756 0.12500000000000 40.078 > 6 115 Ca 0.00000000000000 0.05713747180089 0.62500000000000 40.078 > 6 116 Ca 0.50000000000000 0.05713747180089 0.62500000000000 40.078 > 6 117 Ca 0.00000000000000 0.39047080513422 0.62500000000000 40.078 > 6 118 Ca 0.50000000000000 0.39047080513422 0.62500000000000 40.078 > 6 119 Ca 0.00000000000000 0.72380413846756 0.62500000000000 40.078 > 6 120 Ca 0.50000000000000 0.72380413846756 0.62500000000000 40.078 > 6 121 Ca 0.25000000000000 0.10952919486578 0.37500000000000 40.078 > 5 122 Ca 0.75000000000000 0.10952919486578 0.37500000000000 40.078 > 5 123 Ca 0.25000000000000 0.44286252819911 0.37500000000000 40.078 > 5 124 Ca 0.75000000000000 0.44286252819911 0.37500000000000 40.078 > 5 125 Ca 0.25000000000000 0.77619586153244 0.37500000000000 40.078 > 5 126 Ca 0.75000000000000 0.77619586153244 0.37500000000000 40.078 > 5 127 Ca 0.25000000000000 0.10952919486578 0.87500000000000 40.078 > 5 128 Ca 0.75000000000000 0.10952919486578 0.87500000000000 40.078 > 5 129 Ca 0.25000000000000 0.44286252819911 0.87500000000000 40.078 > 5 130 Ca 0.75000000000000 0.44286252819911 0.87500000000000 40.078 > 5 131 Ca 0.25000000000000 0.77619586153244 0.87500000000000 40.078 > 5 132 Ca 0.75000000000000 0.77619586153244 0.87500000000000 40.078 > 5 133 Ca 0.25000000000000 0.22380413846756 0.12500000000000 40.078 > 6 134 Ca 0.75000000000000 0.22380413846756 0.12500000000000 40.078 > 6 135 Ca 0.25000000000000 0.55713747180089 0.12500000000000 40.078 > 6 136 Ca 0.75000000000000 0.55713747180089 0.12500000000000 40.078 > 6 137 Ca 0.25000000000000 0.89047080513422 0.12500000000000 40.078 > 6 138 Ca 0.75000000000000 0.89047080513422 0.12500000000000 40.078 > 6 139 Ca 0.25000000000000 0.22380413846756 0.62500000000000 40.078 > 6 140 Ca 0.75000000000000 0.22380413846756 0.62500000000000 40.078 > 6 141 Ca 0.25000000000000 0.55713747180089 0.62500000000000 40.078 > 6 142 Ca 0.75000000000000 0.55713747180089 0.62500000000000 40.078 > 6 143 Ca 0.25000000000000 0.89047080513422 0.62500000000000 40.078 > 6 144 Ca 0.75000000000000 0.89047080513422 0.62500000000000 40.078 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8452265 0.0000000 0.1427445 0.0000000 4.3194854 0.0000000 0.1427416 0.0000000 4.2140996 -------------------------- Born effective charges -------------------------- 1 C -1.1420965 -0.0170740 -0.0169411 -0.0602727 -1.1143074 -0.1053459 0.0438700 -0.0344606 -1.1517805 2 C -1.1420965 0.0170740 -0.0169411 0.0602727 -1.1143074 0.1053459 0.0438700 0.0344606 -1.1517805 3 C -1.1420965 0.0170740 -0.0169411 0.0602727 -1.1143074 0.1053459 0.0438700 0.0344606 -1.1517805 4 C -1.1420965 -0.0170740 -0.0169411 -0.0602727 -1.1143074 -0.1053459 0.0438700 -0.0344606 -1.1517805 5 Ca 2.2841931 0.0000000 0.0338823 0.0000000 2.2286147 0.0000000 -0.0877401 0.0000000 2.3035610 6 Ca 2.2841931 0.0000000 0.0338823 0.0000000 2.2286147 0.0000000 -0.0877401 0.0000000 2.3035610 ---------------------------------------------------------------------------- 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: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 1056 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: 222 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1043), data: False |-- (138, 136), data: True |-- (138, 136), data: True |-- (138, 136), data: True |-- (210, 208), data: True |-- (210, 208), data: True |-- (222, 219), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.604 Solver_block: 200 / 240 - Time: 1.634 Solver_block: 240 / 240 - Time: 0.706 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.075 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 1056 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: 222 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1043), data: False |-- (138, 136), data: True |-- (138, 136), data: True |-- (138, 136), data: True |-- (210, 208), data: True |-- (210, 208), data: True |-- (222, 219), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:53:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:53:55]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.258134930949360 -2.041836910000000 0.000000000000000 b 3.258134930949360 2.041836910000000 0.000000000000000 c -2.016828983705276 0.000000000000000 7.007567013427285 Atomic positions (fractional): 1 C 0.85421207830470 0.57546420115754 0.93921859609402 12.011 2 C 0.42453579884246 0.14578792169530 0.56078140390598 12.011 3 C 0.57546420115754 0.85421207830470 0.43921859609402 12.011 4 C 0.14578792169530 0.42453579884246 0.06078140390598 12.011 5 Ca 0.17141241540268 0.82858758459732 0.75000000000000 40.078 6 Ca 0.82858758459732 0.17141241540267 0.25000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.032539723797441 0.000000000000000 0.000000000000000 b 0.000000000000000 12.251021459999999 0.000000000000000 c -4.033657967410552 0.000000000000000 14.015134026854570 Atomic positions (fractional): 1 C 0.10741906986556 0.12020868714214 0.46960929804701 12.011 > 1 2 C 0.60741906986556 0.12020868714214 0.46960929804701 12.011 > 1 3 C 0.10741906986556 0.45354202047547 0.46960929804701 12.011 > 1 4 C 0.60741906986556 0.45354202047547 0.46960929804701 12.011 > 1 5 C 0.10741906986556 0.78687535380881 0.46960929804701 12.011 > 1 6 C 0.60741906986556 0.78687535380881 0.46960929804701 12.011 > 1 7 C 0.10741906986556 0.12020868714214 0.96960929804701 12.011 > 1 8 C 0.60741906986556 0.12020868714214 0.96960929804701 12.011 > 1 9 C 0.10741906986556 0.45354202047547 0.96960929804701 12.011 > 1 10 C 0.60741906986556 0.45354202047547 0.96960929804701 12.011 > 1 11 C 0.10741906986556 0.78687535380881 0.96960929804701 12.011 > 1 12 C 0.60741906986556 0.78687535380881 0.96960929804701 12.011 > 1 13 C 0.39258093013444 0.12020868714214 0.28039070195299 12.011 > 13 14 C 0.89258093013444 0.12020868714214 0.28039070195299 12.011 > 13 15 C 0.39258093013444 0.45354202047547 0.28039070195299 12.011 > 13 16 C 0.89258093013444 0.45354202047547 0.28039070195299 12.011 > 13 17 C 0.39258093013444 0.78687535380881 0.28039070195299 12.011 > 13 18 C 0.89258093013444 0.78687535380881 0.28039070195299 12.011 > 13 19 C 0.39258093013444 0.12020868714214 0.78039070195299 12.011 > 13 20 C 0.89258093013444 0.12020868714214 0.78039070195299 12.011 > 13 21 C 0.39258093013444 0.45354202047547 0.78039070195299 12.011 > 13 22 C 0.89258093013444 0.45354202047547 0.78039070195299 12.011 > 13 23 C 0.39258093013444 0.78687535380881 0.78039070195299 12.011 > 13 24 C 0.89258093013444 0.78687535380881 0.78039070195299 12.011 > 13 25 C 0.10741906986556 0.21312464619119 0.21960929804701 12.011 > 25 26 C 0.60741906986556 0.21312464619119 0.21960929804701 12.011 > 25 27 C 0.10741906986556 0.54645797952453 0.21960929804701 12.011 > 25 28 C 0.60741906986556 0.54645797952453 0.21960929804701 12.011 > 25 29 C 0.10741906986556 0.87979131285786 0.21960929804701 12.011 > 25 30 C 0.60741906986556 0.87979131285786 0.21960929804701 12.011 > 25 31 C 0.10741906986556 0.21312464619119 0.71960929804701 12.011 > 25 32 C 0.60741906986556 0.21312464619119 0.71960929804701 12.011 > 25 33 C 0.10741906986556 0.54645797952453 0.71960929804701 12.011 > 25 34 C 0.60741906986556 0.54645797952453 0.71960929804701 12.011 > 25 35 C 0.10741906986556 0.87979131285786 0.71960929804701 12.011 > 25 36 C 0.60741906986556 0.87979131285786 0.71960929804701 12.011 > 25 37 C 0.39258093013444 0.21312464619119 0.03039070195299 12.011 > 37 38 C 0.89258093013444 0.21312464619119 0.03039070195299 12.011 > 37 39 C 0.39258093013444 0.54645797952453 0.03039070195299 12.011 > 37 40 C 0.89258093013444 0.54645797952453 0.03039070195299 12.011 > 37 41 C 0.39258093013444 0.87979131285786 0.03039070195299 12.011 > 37 42 C 0.89258093013444 0.87979131285786 0.03039070195299 12.011 > 37 43 C 0.39258093013444 0.21312464619119 0.53039070195299 12.011 > 37 44 C 0.89258093013444 0.21312464619119 0.53039070195299 12.011 > 37 45 C 0.39258093013444 0.54645797952453 0.53039070195299 12.011 > 37 46 C 0.89258093013444 0.54645797952453 0.53039070195299 12.011 > 37 47 C 0.39258093013444 0.87979131285786 0.53039070195299 12.011 > 37 48 C 0.89258093013444 0.87979131285786 0.53039070195299 12.011 > 37 49 C 0.35741906986556 0.28687535380881 0.46960929804701 12.011 > 1 50 C 0.85741906986556 0.28687535380881 0.46960929804701 12.011 > 1 51 C 0.35741906986556 0.62020868714214 0.46960929804701 12.011 > 1 52 C 0.85741906986556 0.62020868714214 0.46960929804701 12.011 > 1 53 C 0.35741906986556 0.95354202047547 0.46960929804701 12.011 > 1 54 C 0.85741906986556 0.95354202047547 0.46960929804701 12.011 > 1 55 C 0.35741906986556 0.28687535380881 0.96960929804701 12.011 > 1 56 C 0.85741906986556 0.28687535380881 0.96960929804701 12.011 > 1 57 C 0.35741906986556 0.62020868714214 0.96960929804701 12.011 > 1 58 C 0.85741906986556 0.62020868714214 0.96960929804701 12.011 > 1 59 C 0.35741906986556 0.95354202047547 0.96960929804701 12.011 > 1 60 C 0.85741906986556 0.95354202047547 0.96960929804701 12.011 > 1 61 C 0.14258093013444 0.28687535380881 0.28039070195299 12.011 > 13 62 C 0.64258093013444 0.28687535380881 0.28039070195299 12.011 > 13 63 C 0.14258093013444 0.62020868714214 0.28039070195299 12.011 > 13 64 C 0.64258093013444 0.62020868714214 0.28039070195299 12.011 > 13 65 C 0.14258093013444 0.95354202047547 0.28039070195299 12.011 > 13 66 C 0.64258093013444 0.95354202047547 0.28039070195299 12.011 > 13 67 C 0.14258093013444 0.28687535380881 0.78039070195299 12.011 > 13 68 C 0.64258093013444 0.28687535380881 0.78039070195299 12.011 > 13 69 C 0.14258093013444 0.62020868714214 0.78039070195299 12.011 > 13 70 C 0.64258093013444 0.62020868714214 0.78039070195299 12.011 > 13 71 C 0.14258093013444 0.95354202047547 0.78039070195299 12.011 > 13 72 C 0.64258093013444 0.95354202047547 0.78039070195299 12.011 > 13 73 C 0.35741906986556 0.04645797952453 0.21960929804701 12.011 > 25 74 C 0.85741906986556 0.04645797952453 0.21960929804701 12.011 > 25 75 C 0.35741906986556 0.37979131285786 0.21960929804701 12.011 > 25 76 C 0.85741906986556 0.37979131285786 0.21960929804701 12.011 > 25 77 C 0.35741906986556 0.71312464619119 0.21960929804701 12.011 > 25 78 C 0.85741906986556 0.71312464619119 0.21960929804701 12.011 > 25 79 C 0.35741906986556 0.04645797952453 0.71960929804701 12.011 > 25 80 C 0.85741906986556 0.04645797952453 0.71960929804701 12.011 > 25 81 C 0.35741906986556 0.37979131285786 0.71960929804701 12.011 > 25 82 C 0.85741906986556 0.37979131285786 0.71960929804701 12.011 > 25 83 C 0.35741906986556 0.71312464619119 0.71960929804701 12.011 > 25 84 C 0.85741906986556 0.71312464619119 0.71960929804701 12.011 > 25 85 C 0.14258093013444 0.04645797952453 0.03039070195299 12.011 > 37 86 C 0.64258093013444 0.04645797952453 0.03039070195299 12.011 > 37 87 C 0.14258093013444 0.37979131285786 0.03039070195299 12.011 > 37 88 C 0.64258093013444 0.37979131285786 0.03039070195299 12.011 > 37 89 C 0.14258093013444 0.71312464619119 0.03039070195299 12.011 > 37 90 C 0.64258093013444 0.71312464619119 0.03039070195299 12.011 > 37 91 C 0.14258093013444 0.04645797952453 0.53039070195299 12.011 > 37 92 C 0.64258093013444 0.04645797952453 0.53039070195299 12.011 > 37 93 C 0.14258093013444 0.37979131285786 0.53039070195299 12.011 > 37 94 C 0.64258093013444 0.37979131285786 0.53039070195299 12.011 > 37 95 C 0.14258093013444 0.71312464619119 0.53039070195299 12.011 > 37 96 C 0.64258093013444 0.71312464619119 0.53039070195299 12.011 > 37 97 Ca 0.00000000000000 0.27619586153244 0.37500000000000 40.078 > 97 98 Ca 0.50000000000000 0.27619586153244 0.37500000000000 40.078 > 97 99 Ca 0.00000000000000 0.60952919486577 0.37500000000000 40.078 > 97 100 Ca 0.50000000000000 0.60952919486577 0.37500000000000 40.078 > 97 101 Ca 0.00000000000000 0.94286252819911 0.37500000000000 40.078 > 97 102 Ca 0.50000000000000 0.94286252819911 0.37500000000000 40.078 > 97 103 Ca 0.00000000000000 0.27619586153244 0.87500000000000 40.078 > 97 104 Ca 0.50000000000000 0.27619586153244 0.87500000000000 40.078 > 97 105 Ca 0.00000000000000 0.60952919486577 0.87500000000000 40.078 > 97 106 Ca 0.50000000000000 0.60952919486577 0.87500000000000 40.078 > 97 107 Ca 0.00000000000000 0.94286252819911 0.87500000000000 40.078 > 97 108 Ca 0.50000000000000 0.94286252819911 0.87500000000000 40.078 > 97 109 Ca 0.00000000000000 0.05713747180089 0.12500000000000 40.078 > 109 110 Ca 0.50000000000000 0.05713747180089 0.12500000000000 40.078 > 109 111 Ca 0.00000000000000 0.39047080513422 0.12500000000000 40.078 > 109 112 Ca 0.50000000000000 0.39047080513422 0.12500000000000 40.078 > 109 113 Ca 0.00000000000000 0.72380413846756 0.12500000000000 40.078 > 109 114 Ca 0.50000000000000 0.72380413846756 0.12500000000000 40.078 > 109 115 Ca 0.00000000000000 0.05713747180089 0.62500000000000 40.078 > 109 116 Ca 0.50000000000000 0.05713747180089 0.62500000000000 40.078 > 109 117 Ca 0.00000000000000 0.39047080513422 0.62500000000000 40.078 > 109 118 Ca 0.50000000000000 0.39047080513422 0.62500000000000 40.078 > 109 119 Ca 0.00000000000000 0.72380413846756 0.62500000000000 40.078 > 109 120 Ca 0.50000000000000 0.72380413846756 0.62500000000000 40.078 > 109 121 Ca 0.25000000000000 0.10952919486578 0.37500000000000 40.078 > 97 122 Ca 0.75000000000000 0.10952919486578 0.37500000000000 40.078 > 97 123 Ca 0.25000000000000 0.44286252819911 0.37500000000000 40.078 > 97 124 Ca 0.75000000000000 0.44286252819911 0.37500000000000 40.078 > 97 125 Ca 0.25000000000000 0.77619586153244 0.37500000000000 40.078 > 97 126 Ca 0.75000000000000 0.77619586153244 0.37500000000000 40.078 > 97 127 Ca 0.25000000000000 0.10952919486578 0.87500000000000 40.078 > 97 128 Ca 0.75000000000000 0.10952919486578 0.87500000000000 40.078 > 97 129 Ca 0.25000000000000 0.44286252819911 0.87500000000000 40.078 > 97 130 Ca 0.75000000000000 0.44286252819911 0.87500000000000 40.078 > 97 131 Ca 0.25000000000000 0.77619586153244 0.87500000000000 40.078 > 97 132 Ca 0.75000000000000 0.77619586153244 0.87500000000000 40.078 > 97 133 Ca 0.25000000000000 0.22380413846756 0.12500000000000 40.078 > 109 134 Ca 0.75000000000000 0.22380413846756 0.12500000000000 40.078 > 109 135 Ca 0.25000000000000 0.55713747180089 0.12500000000000 40.078 > 109 136 Ca 0.75000000000000 0.55713747180089 0.12500000000000 40.078 > 109 137 Ca 0.25000000000000 0.89047080513422 0.12500000000000 40.078 > 109 138 Ca 0.75000000000000 0.89047080513422 0.12500000000000 40.078 > 109 139 Ca 0.25000000000000 0.22380413846756 0.62500000000000 40.078 > 109 140 Ca 0.75000000000000 0.22380413846756 0.62500000000000 40.078 > 109 141 Ca 0.25000000000000 0.55713747180089 0.62500000000000 40.078 > 109 142 Ca 0.75000000000000 0.55713747180089 0.62500000000000 40.078 > 109 143 Ca 0.25000000000000 0.89047080513422 0.62500000000000 40.078 > 109 144 Ca 0.75000000000000 0.89047080513422 0.62500000000000 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8452265 0.0000000 0.1427445 0.0000000 4.3194854 0.0000000 0.1427416 0.0000000 4.2140996 -------------------------- Born effective charges -------------------------- 1 C -1.1420965 -0.0170740 -0.0169411 -0.0602727 -1.1143074 -0.1053459 0.0438700 -0.0344606 -1.1517805 2 C -1.1420965 0.0170740 -0.0169411 0.0602727 -1.1143074 0.1053459 0.0438700 0.0344606 -1.1517805 3 C -1.1420965 0.0170740 -0.0169411 0.0602727 -1.1143074 0.1053459 0.0438700 0.0344606 -1.1517805 4 C -1.1420965 -0.0170740 -0.0169411 -0.0602727 -1.1143074 -0.1053459 0.0438700 -0.0344606 -1.1517805 5 Ca 2.2841931 0.0000000 0.0338823 0.0000000 2.2286147 0.0000000 -0.0877401 0.0000000 2.3035610 6 Ca 2.2841931 0.0000000 0.0338823 0.0000000 2.2286147 0.0000000 -0.0877401 0.0000000 2.3035610 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:54:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:54:08]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.258134930949360 -2.041836910000000 0.000000000000000 b 3.258134930949360 2.041836910000000 0.000000000000000 c -2.016828983705276 0.000000000000000 7.007567013427285 Atomic positions (fractional): 1 C 0.85421207830470 0.57546420115754 0.93921859609402 12.011 2 C 0.42453579884246 0.14578792169530 0.56078140390598 12.011 3 C 0.57546420115754 0.85421207830470 0.43921859609402 12.011 4 C 0.14578792169530 0.42453579884246 0.06078140390598 12.011 5 Ca 0.17141241540268 0.82858758459732 0.75000000000000 40.078 6 Ca 0.82858758459732 0.17141241540267 0.25000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.032539723797441 0.000000000000000 0.000000000000000 b 0.000000000000000 12.251021459999999 0.000000000000000 c -4.033657967410552 0.000000000000000 14.015134026854570 Atomic positions (fractional): 1 C 0.10741906986556 0.12020868714214 0.46960929804701 12.011 > 1 2 C 0.60741906986556 0.12020868714214 0.46960929804701 12.011 > 1 3 C 0.10741906986556 0.45354202047547 0.46960929804701 12.011 > 1 4 C 0.60741906986556 0.45354202047547 0.46960929804701 12.011 > 1 5 C 0.10741906986556 0.78687535380881 0.46960929804701 12.011 > 1 6 C 0.60741906986556 0.78687535380881 0.46960929804701 12.011 > 1 7 C 0.10741906986556 0.12020868714214 0.96960929804701 12.011 > 1 8 C 0.60741906986556 0.12020868714214 0.96960929804701 12.011 > 1 9 C 0.10741906986556 0.45354202047547 0.96960929804701 12.011 > 1 10 C 0.60741906986556 0.45354202047547 0.96960929804701 12.011 > 1 11 C 0.10741906986556 0.78687535380881 0.96960929804701 12.011 > 1 12 C 0.60741906986556 0.78687535380881 0.96960929804701 12.011 > 1 13 C 0.39258093013444 0.12020868714214 0.28039070195299 12.011 > 13 14 C 0.89258093013444 0.12020868714214 0.28039070195299 12.011 > 13 15 C 0.39258093013444 0.45354202047547 0.28039070195299 12.011 > 13 16 C 0.89258093013444 0.45354202047547 0.28039070195299 12.011 > 13 17 C 0.39258093013444 0.78687535380881 0.28039070195299 12.011 > 13 18 C 0.89258093013444 0.78687535380881 0.28039070195299 12.011 > 13 19 C 0.39258093013444 0.12020868714214 0.78039070195299 12.011 > 13 20 C 0.89258093013444 0.12020868714214 0.78039070195299 12.011 > 13 21 C 0.39258093013444 0.45354202047547 0.78039070195299 12.011 > 13 22 C 0.89258093013444 0.45354202047547 0.78039070195299 12.011 > 13 23 C 0.39258093013444 0.78687535380881 0.78039070195299 12.011 > 13 24 C 0.89258093013444 0.78687535380881 0.78039070195299 12.011 > 13 25 C 0.10741906986556 0.21312464619119 0.21960929804701 12.011 > 25 26 C 0.60741906986556 0.21312464619119 0.21960929804701 12.011 > 25 27 C 0.10741906986556 0.54645797952453 0.21960929804701 12.011 > 25 28 C 0.60741906986556 0.54645797952453 0.21960929804701 12.011 > 25 29 C 0.10741906986556 0.87979131285786 0.21960929804701 12.011 > 25 30 C 0.60741906986556 0.87979131285786 0.21960929804701 12.011 > 25 31 C 0.10741906986556 0.21312464619119 0.71960929804701 12.011 > 25 32 C 0.60741906986556 0.21312464619119 0.71960929804701 12.011 > 25 33 C 0.10741906986556 0.54645797952453 0.71960929804701 12.011 > 25 34 C 0.60741906986556 0.54645797952453 0.71960929804701 12.011 > 25 35 C 0.10741906986556 0.87979131285786 0.71960929804701 12.011 > 25 36 C 0.60741906986556 0.87979131285786 0.71960929804701 12.011 > 25 37 C 0.39258093013444 0.21312464619119 0.03039070195299 12.011 > 37 38 C 0.89258093013444 0.21312464619119 0.03039070195299 12.011 > 37 39 C 0.39258093013444 0.54645797952453 0.03039070195299 12.011 > 37 40 C 0.89258093013444 0.54645797952453 0.03039070195299 12.011 > 37 41 C 0.39258093013444 0.87979131285786 0.03039070195299 12.011 > 37 42 C 0.89258093013444 0.87979131285786 0.03039070195299 12.011 > 37 43 C 0.39258093013444 0.21312464619119 0.53039070195299 12.011 > 37 44 C 0.89258093013444 0.21312464619119 0.53039070195299 12.011 > 37 45 C 0.39258093013444 0.54645797952453 0.53039070195299 12.011 > 37 46 C 0.89258093013444 0.54645797952453 0.53039070195299 12.011 > 37 47 C 0.39258093013444 0.87979131285786 0.53039070195299 12.011 > 37 48 C 0.89258093013444 0.87979131285786 0.53039070195299 12.011 > 37 49 C 0.35741906986556 0.28687535380881 0.46960929804701 12.011 > 1 50 C 0.85741906986556 0.28687535380881 0.46960929804701 12.011 > 1 51 C 0.35741906986556 0.62020868714214 0.46960929804701 12.011 > 1 52 C 0.85741906986556 0.62020868714214 0.46960929804701 12.011 > 1 53 C 0.35741906986556 0.95354202047547 0.46960929804701 12.011 > 1 54 C 0.85741906986556 0.95354202047547 0.46960929804701 12.011 > 1 55 C 0.35741906986556 0.28687535380881 0.96960929804701 12.011 > 1 56 C 0.85741906986556 0.28687535380881 0.96960929804701 12.011 > 1 57 C 0.35741906986556 0.62020868714214 0.96960929804701 12.011 > 1 58 C 0.85741906986556 0.62020868714214 0.96960929804701 12.011 > 1 59 C 0.35741906986556 0.95354202047547 0.96960929804701 12.011 > 1 60 C 0.85741906986556 0.95354202047547 0.96960929804701 12.011 > 1 61 C 0.14258093013444 0.28687535380881 0.28039070195299 12.011 > 13 62 C 0.64258093013444 0.28687535380881 0.28039070195299 12.011 > 13 63 C 0.14258093013444 0.62020868714214 0.28039070195299 12.011 > 13 64 C 0.64258093013444 0.62020868714214 0.28039070195299 12.011 > 13 65 C 0.14258093013444 0.95354202047547 0.28039070195299 12.011 > 13 66 C 0.64258093013444 0.95354202047547 0.28039070195299 12.011 > 13 67 C 0.14258093013444 0.28687535380881 0.78039070195299 12.011 > 13 68 C 0.64258093013444 0.28687535380881 0.78039070195299 12.011 > 13 69 C 0.14258093013444 0.62020868714214 0.78039070195299 12.011 > 13 70 C 0.64258093013444 0.62020868714214 0.78039070195299 12.011 > 13 71 C 0.14258093013444 0.95354202047547 0.78039070195299 12.011 > 13 72 C 0.64258093013444 0.95354202047547 0.78039070195299 12.011 > 13 73 C 0.35741906986556 0.04645797952453 0.21960929804701 12.011 > 25 74 C 0.85741906986556 0.04645797952453 0.21960929804701 12.011 > 25 75 C 0.35741906986556 0.37979131285786 0.21960929804701 12.011 > 25 76 C 0.85741906986556 0.37979131285786 0.21960929804701 12.011 > 25 77 C 0.35741906986556 0.71312464619119 0.21960929804701 12.011 > 25 78 C 0.85741906986556 0.71312464619119 0.21960929804701 12.011 > 25 79 C 0.35741906986556 0.04645797952453 0.71960929804701 12.011 > 25 80 C 0.85741906986556 0.04645797952453 0.71960929804701 12.011 > 25 81 C 0.35741906986556 0.37979131285786 0.71960929804701 12.011 > 25 82 C 0.85741906986556 0.37979131285786 0.71960929804701 12.011 > 25 83 C 0.35741906986556 0.71312464619119 0.71960929804701 12.011 > 25 84 C 0.85741906986556 0.71312464619119 0.71960929804701 12.011 > 25 85 C 0.14258093013444 0.04645797952453 0.03039070195299 12.011 > 37 86 C 0.64258093013444 0.04645797952453 0.03039070195299 12.011 > 37 87 C 0.14258093013444 0.37979131285786 0.03039070195299 12.011 > 37 88 C 0.64258093013444 0.37979131285786 0.03039070195299 12.011 > 37 89 C 0.14258093013444 0.71312464619119 0.03039070195299 12.011 > 37 90 C 0.64258093013444 0.71312464619119 0.03039070195299 12.011 > 37 91 C 0.14258093013444 0.04645797952453 0.53039070195299 12.011 > 37 92 C 0.64258093013444 0.04645797952453 0.53039070195299 12.011 > 37 93 C 0.14258093013444 0.37979131285786 0.53039070195299 12.011 > 37 94 C 0.64258093013444 0.37979131285786 0.53039070195299 12.011 > 37 95 C 0.14258093013444 0.71312464619119 0.53039070195299 12.011 > 37 96 C 0.64258093013444 0.71312464619119 0.53039070195299 12.011 > 37 97 Ca 0.00000000000000 0.27619586153244 0.37500000000000 40.078 > 97 98 Ca 0.50000000000000 0.27619586153244 0.37500000000000 40.078 > 97 99 Ca 0.00000000000000 0.60952919486577 0.37500000000000 40.078 > 97 100 Ca 0.50000000000000 0.60952919486577 0.37500000000000 40.078 > 97 101 Ca 0.00000000000000 0.94286252819911 0.37500000000000 40.078 > 97 102 Ca 0.50000000000000 0.94286252819911 0.37500000000000 40.078 > 97 103 Ca 0.00000000000000 0.27619586153244 0.87500000000000 40.078 > 97 104 Ca 0.50000000000000 0.27619586153244 0.87500000000000 40.078 > 97 105 Ca 0.00000000000000 0.60952919486577 0.87500000000000 40.078 > 97 106 Ca 0.50000000000000 0.60952919486577 0.87500000000000 40.078 > 97 107 Ca 0.00000000000000 0.94286252819911 0.87500000000000 40.078 > 97 108 Ca 0.50000000000000 0.94286252819911 0.87500000000000 40.078 > 97 109 Ca 0.00000000000000 0.05713747180089 0.12500000000000 40.078 > 109 110 Ca 0.50000000000000 0.05713747180089 0.12500000000000 40.078 > 109 111 Ca 0.00000000000000 0.39047080513422 0.12500000000000 40.078 > 109 112 Ca 0.50000000000000 0.39047080513422 0.12500000000000 40.078 > 109 113 Ca 0.00000000000000 0.72380413846756 0.12500000000000 40.078 > 109 114 Ca 0.50000000000000 0.72380413846756 0.12500000000000 40.078 > 109 115 Ca 0.00000000000000 0.05713747180089 0.62500000000000 40.078 > 109 116 Ca 0.50000000000000 0.05713747180089 0.62500000000000 40.078 > 109 117 Ca 0.00000000000000 0.39047080513422 0.62500000000000 40.078 > 109 118 Ca 0.50000000000000 0.39047080513422 0.62500000000000 40.078 > 109 119 Ca 0.00000000000000 0.72380413846756 0.62500000000000 40.078 > 109 120 Ca 0.50000000000000 0.72380413846756 0.62500000000000 40.078 > 109 121 Ca 0.25000000000000 0.10952919486578 0.37500000000000 40.078 > 97 122 Ca 0.75000000000000 0.10952919486578 0.37500000000000 40.078 > 97 123 Ca 0.25000000000000 0.44286252819911 0.37500000000000 40.078 > 97 124 Ca 0.75000000000000 0.44286252819911 0.37500000000000 40.078 > 97 125 Ca 0.25000000000000 0.77619586153244 0.37500000000000 40.078 > 97 126 Ca 0.75000000000000 0.77619586153244 0.37500000000000 40.078 > 97 127 Ca 0.25000000000000 0.10952919486578 0.87500000000000 40.078 > 97 128 Ca 0.75000000000000 0.10952919486578 0.87500000000000 40.078 > 97 129 Ca 0.25000000000000 0.44286252819911 0.87500000000000 40.078 > 97 130 Ca 0.75000000000000 0.44286252819911 0.87500000000000 40.078 > 97 131 Ca 0.25000000000000 0.77619586153244 0.87500000000000 40.078 > 97 132 Ca 0.75000000000000 0.77619586153244 0.87500000000000 40.078 > 97 133 Ca 0.25000000000000 0.22380413846756 0.12500000000000 40.078 > 109 134 Ca 0.75000000000000 0.22380413846756 0.12500000000000 40.078 > 109 135 Ca 0.25000000000000 0.55713747180089 0.12500000000000 40.078 > 109 136 Ca 0.75000000000000 0.55713747180089 0.12500000000000 40.078 > 109 137 Ca 0.25000000000000 0.89047080513422 0.12500000000000 40.078 > 109 138 Ca 0.75000000000000 0.89047080513422 0.12500000000000 40.078 > 109 139 Ca 0.25000000000000 0.22380413846756 0.62500000000000 40.078 > 109 140 Ca 0.75000000000000 0.22380413846756 0.62500000000000 40.078 > 109 141 Ca 0.25000000000000 0.55713747180089 0.62500000000000 40.078 > 109 142 Ca 0.75000000000000 0.55713747180089 0.62500000000000 40.078 > 109 143 Ca 0.25000000000000 0.89047080513422 0.62500000000000 40.078 > 109 144 Ca 0.75000000000000 0.89047080513422 0.62500000000000 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8452265 0.0000000 0.1427445 0.0000000 4.3194854 0.0000000 0.1427416 0.0000000 4.2140996 -------------------------- Born effective charges -------------------------- 1 C -1.1420965 -0.0170740 -0.0169411 -0.0602727 -1.1143074 -0.1053459 0.0438700 -0.0344606 -1.1517805 2 C -1.1420965 0.0170740 -0.0169411 0.0602727 -1.1143074 0.1053459 0.0438700 0.0344606 -1.1517805 3 C -1.1420965 0.0170740 -0.0169411 0.0602727 -1.1143074 0.1053459 0.0438700 0.0344606 -1.1517805 4 C -1.1420965 -0.0170740 -0.0169411 -0.0602727 -1.1143074 -0.1053459 0.0438700 -0.0344606 -1.1517805 5 Ca 2.2841931 0.0000000 0.0338823 0.0000000 2.2286147 0.0000000 -0.0877401 0.0000000 2.3035610 6 Ca 2.2841931 0.0000000 0.0338823 0.0000000 2.2286147 0.0000000 -0.0877401 0.0000000 2.3035610 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- 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 ... [ 15 15 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.92, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/424) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 56.253 ( 0.000 0.000 0.000) 0.000 56.312 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/424) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -8.349 -42.168 -32.710) 54.016 0.642 ( 31.901 -20.371 -5.362) 38.228 1.365 ( 33.541 -54.201 39.716) 75.101 2.770 ( 8.330 -14.583 -3.926) 17.247 5.225 ( -4.809 3.053 -12.861) 14.066 5.790 ( 1.335 14.039 5.039) 14.976 7.038 ( 1.209 -3.501 6.380) 7.377 7.432 ( -8.616 -3.468 11.525) 14.802 7.486 ( 0.863 -4.474 5.762) 7.346 7.813 ( 30.365 7.770 -26.444) 41.008 7.849 ( 3.456 2.500 2.522) 4.955 8.843 ( -2.173 -2.944 -1.578) 3.985 9.260 ( -1.868 7.181 -2.628) 7.871 9.793 ( 2.345 4.737 -3.553) 6.369 10.305 ( -3.042 11.662 6.917) 13.897 12.162 ( -0.241 7.471 -3.857) 8.411 56.259 ( 0.173 -0.539 0.012) 0.566 56.314 ( 0.101 -0.221 0.050) 0.248 ======================= Grid point 2 (3/424) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -9.488 -46.758 -35.431) 59.429 1.284 ( 32.562 -19.016 -1.714) 37.747 2.662 ( 28.925 -50.208 37.518) 69.030 3.176 ( 14.201 -21.879 -6.855) 26.970 4.920 ( -10.380 15.358 -27.689) 33.321 5.710 ( 8.867 6.836 19.876) 22.813 7.091 ( -4.846 -5.332 -3.040) 7.820 7.409 ( -7.461 -0.949 7.670) 10.742 7.593 ( 1.388 -3.011 3.438) 4.777 7.851 ( 7.875 5.538 4.192) 10.500 7.981 ( 20.307 -0.698 -5.094) 20.948 8.878 ( 0.788 -2.240 2.403) 3.378 9.070 ( -3.275 10.617 -4.565) 12.012 9.673 ( -2.975 7.714 -10.536) 13.393 10.044 ( -3.614 18.147 13.564) 22.943 11.956 ( -4.791 12.082 -10.094) 16.457 56.274 ( 0.284 -0.955 0.005) 0.996 56.321 ( 0.222 -0.444 0.110) 0.508 ======================= Grid point 3 (4/424) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -9.877 -48.593 -36.744) 61.717 1.907 ( 30.568 -17.174 1.701) 35.103 3.601 ( 8.068 -26.504 11.882) 30.145 3.812 ( 22.803 -28.467 0.485) 36.477 4.531 ( 0.770 5.900 -15.039) 16.173 5.787 ( 10.721 5.939 24.711) 27.584 7.122 ( -5.910 -7.408 -5.662) 11.039 7.356 ( -9.463 0.068 7.920) 12.340 7.597 ( 1.455 5.884 1.842) 6.335 7.866 ( 11.039 5.342 3.861) 12.857 8.130 ( 12.856 4.064 -2.603) 13.732 8.828 ( -4.111 10.898 -6.078) 13.138 8.976 ( 2.733 -4.981 4.948) 7.534 9.427 ( -5.346 11.518 -7.445) 14.720 9.772 ( -1.814 15.964 12.268) 20.215 11.613 ( -8.426 16.678 -16.405) 24.865 56.294 ( 0.289 -1.145 -0.027) 1.181 56.334 ( 0.370 -0.664 0.172) 0.779 ======================= Grid point 4 (5/424) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -8.352 -46.470 -34.726) 58.610 2.459 ( 24.331 -14.873 1.565) 28.560 3.852 ( -4.621 5.045 -22.227) 23.256 4.088 ( 11.103 -17.978 -0.278) 21.132 5.077 ( 25.078 -31.214 21.172) 45.293 5.834 ( 9.265 10.804 24.716) 28.521 7.189 ( -4.473 -7.933 -5.644) 10.715 7.212 ( -9.964 9.960 9.655) 17.079 7.471 ( 4.320 10.171 0.530) 11.063 7.925 ( 8.515 1.744 3.851) 9.507 8.100 ( 5.231 7.812 -5.374) 10.829 8.555 ( -7.936 11.511 -6.678) 15.494 9.095 ( 2.203 -0.416 2.785) 3.575 9.264 ( 1.643 2.375 0.573) 2.945 9.562 ( -0.491 10.809 9.150) 14.171 11.157 ( -11.107 19.415 -21.757) 31.203 56.315 ( 0.215 -1.087 -0.048) 1.109 56.351 ( 0.487 -0.829 0.192) 0.981 ======================= Grid point 5 (6/424) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.592 -30.590 -22.297) 37.858 2.904 ( 9.319 -22.428 -10.705) 26.542 3.786 ( 4.858 -5.701 -11.884) 14.048 4.450 ( 7.791 -13.153 2.216) 15.447 5.698 ( 4.612 7.799 14.809) 17.361 5.836 ( 19.422 -8.664 21.070) 29.937 6.853 ( -1.343 24.975 9.433) 26.731 7.269 ( -5.882 -6.465 -2.466) 9.082 7.421 ( 0.299 -1.448 -2.054) 2.531 7.878 ( -2.012 10.794 -4.295) 11.790 8.086 ( 9.523 -1.110 3.172) 10.098 8.343 ( -6.259 2.347 -1.944) 6.961 9.061 ( 3.229 6.391 2.315) 7.525 9.215 ( -1.640 5.992 -5.085) 8.028 9.553 ( 4.544 -2.082 11.427) 12.472 10.654 ( -11.852 18.379 -23.760) 32.293 56.333 ( 0.149 -0.877 -0.028) 0.890 56.370 ( 0.473 -0.813 0.145) 0.952 ======================= Grid point 6 (7/424) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 6.165 -10.208 -6.116) 13.402 3.373 ( -2.449 -34.341 -20.939) 40.296 4.038 ( 9.885 -16.022 -1.548) 18.890 4.673 ( 5.466 -4.170 4.746) 8.354 5.429 ( -1.336 23.215 8.978) 24.926 6.077 ( 4.333 10.497 5.158) 12.473 6.621 ( 11.854 8.138 15.895) 21.433 7.255 ( -10.089 -3.884 -1.969) 10.989 7.464 ( -2.181 -3.966 -4.457) 6.352 7.673 ( -0.317 8.653 -3.681) 9.409 8.260 ( 4.989 -6.133 4.828) 9.263 8.314 ( 1.439 -2.243 3.784) 4.628 8.969 ( 1.219 8.156 -1.003) 8.308 9.088 ( -0.812 4.852 -4.800) 6.873 9.669 ( 3.331 -2.353 7.452) 8.494 10.220 ( -9.383 12.434 -19.103) 24.649 56.346 ( 0.099 -0.579 -0.002) 0.588 56.386 ( 0.329 -0.579 0.075) 0.670 ======================= Grid point 7 (8/424) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 2.698 -3.631 -1.227) 4.687 3.765 ( -1.690 -18.523 -10.478) 21.348 4.416 ( 5.175 -16.983 -2.611) 17.945 4.741 ( 8.022 4.247 12.698) 15.608 5.039 ( -7.662 17.664 -3.133) 19.507 5.855 ( -0.347 10.637 0.269) 10.647 6.742 ( 8.253 0.783 8.709) 12.024 7.212 ( -7.099 -2.939 -0.978) 7.745 7.469 ( -1.672 -1.015 -2.026) 2.816 7.580 ( 1.357 3.102 -1.920) 3.892 8.309 ( -1.011 -1.527 0.088) 1.834 8.488 ( 5.511 -4.842 6.338) 9.695 8.840 ( -1.546 4.981 -3.316) 6.180 9.016 ( 0.286 2.328 -2.027) 3.100 9.730 ( 0.995 -0.614 2.560) 2.814 9.977 ( -3.509 4.014 -7.161) 8.928 56.353 ( 0.036 -0.205 0.003) 0.208 56.395 ( 0.116 -0.208 0.021) 0.239 ======================= Grid point 16 (9/424) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 22.148 0.000 40.581) 46.231 0.925 ( 33.064 0.000 41.224) 52.845 1.291 ( 61.719 0.000 3.012) 61.793 2.761 ( 17.125 0.000 -7.656) 18.758 5.189 ( -3.640 -0.000 -13.600) 14.078 5.846 ( -6.006 -0.000 -7.516) 9.621 7.158 ( -2.871 -0.000 26.353) 26.509 7.360 ( 4.572 0.000 1.406) 4.783 7.466 ( 0.826 0.000 0.581) 1.010 7.925 ( 5.796 0.000 4.347) 7.246 8.092 ( 14.365 0.000 -45.343) 47.564 8.731 ( 0.942 0.000 -1.620) 1.874 9.280 ( -3.769 -0.000 -5.309) 6.511 9.800 ( -4.911 -0.000 -14.991) 15.775 10.427 ( -4.848 -0.000 17.861) 18.507 12.245 ( -4.085 -0.000 -0.728) 4.150 56.257 ( 0.376 0.000 0.010) 0.376 56.313 ( 0.174 0.000 0.004) 0.174 ======================= Grid point 17 (10/424) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 27.039 22.247 25.209) 43.146 1.575 ( 42.210 -7.813 11.384) 44.411 2.330 ( 40.752 -41.416 27.350) 64.218 3.053 ( 22.791 -12.734 -9.306) 27.716 4.988 ( -6.613 12.315 -22.543) 26.525 5.794 ( -2.207 -3.945 -1.803) 4.867 7.115 ( 2.245 7.361 10.049) 12.657 7.375 ( -2.795 1.919 3.712) 5.027 7.559 ( 2.631 -4.821 3.222) 6.367 7.994 ( 7.326 1.550 5.323) 9.187 8.122 ( 13.914 -1.943 -13.731) 19.645 8.811 ( 0.123 -6.436 -1.736) 6.667 9.157 ( -5.193 6.748 -7.302) 11.218 9.678 ( -5.467 3.084 -14.645) 15.933 10.306 ( -6.455 12.614 19.344) 23.979 12.083 ( -4.982 11.357 -4.728) 13.272 56.266 ( 0.510 -0.480 0.016) 0.701 56.318 ( 0.253 -0.276 0.048) 0.378 ======================= Grid point 18 (11/424) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 15.690 -17.278 -11.591) 26.058 2.147 ( 41.393 -6.723 6.815) 42.486 3.337 ( 19.330 -27.188 17.645) 37.738 3.613 ( 30.160 -26.690 -3.708) 40.444 4.622 ( -1.993 12.072 -20.684) 24.032 5.914 ( 3.124 -7.384 6.702) 10.451 7.053 ( 1.327 4.489 2.552) 5.332 7.304 ( -6.683 2.065 5.166) 8.695 7.627 ( 0.838 -1.021 0.771) 1.529 8.058 ( 8.434 2.429 6.158) 10.721 8.295 ( 12.358 -1.072 -2.676) 12.690 8.915 ( 1.649 -3.477 -0.722) 3.916 8.938 ( -5.988 7.012 -6.285) 11.159 9.491 ( -5.950 7.427 -10.849) 14.431 10.046 ( -6.438 16.359 17.041) 24.484 11.762 ( -7.756 16.995 -11.438) 21.905 56.282 ( 0.544 -0.809 0.002) 0.975 56.328 ( 0.354 -0.541 0.115) 0.657 ======================= Grid point 19 (12/424) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.328 -33.695 -25.614) 42.955 2.665 ( 36.357 -4.784 5.631) 37.101 3.770 ( 1.496 -5.219 -6.662) 8.594 4.007 ( 14.479 -7.149 -16.381) 23.002 4.906 ( 26.992 -28.238 16.903) 42.564 6.080 ( 6.223 -1.751 13.552) 15.015 7.026 ( -0.710 -1.424 -3.162) 3.539 7.202 ( -9.431 2.465 5.728) 11.306 7.620 ( 0.197 3.006 -0.128) 3.015 8.124 ( 9.660 3.796 7.852) 13.014 8.280 ( 4.031 11.085 -5.463) 12.999 8.677 ( -5.702 12.829 -7.631) 15.979 9.056 ( 1.869 -6.856 1.805) 7.332 9.325 ( -0.481 3.844 -1.872) 4.303 9.774 ( -5.199 14.193 12.569) 19.659 11.310 ( -10.722 20.928 -17.991) 29.608 56.302 ( 0.486 -0.926 -0.025) 1.046 56.343 ( 0.448 -0.767 0.163) 0.903 ======================= Grid point 20 (13/424) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.865 -38.744 -28.439) 48.146 3.035 ( 26.832 1.127 -0.671) 26.864 3.733 ( 4.792 -3.087 -11.332) 12.684 4.356 ( 15.214 -12.693 -1.846) 19.900 5.678 ( 21.728 -22.885 15.838) 35.308 6.133 ( 7.690 9.185 16.799) 20.632 7.058 ( -9.292 4.647 8.001) 13.113 7.071 ( -3.284 -6.320 -7.966) 10.686 7.515 ( 0.543 9.449 -3.702) 10.163 8.028 ( -2.484 12.243 -1.446) 12.576 8.237 ( 10.031 1.276 4.024) 10.883 8.378 ( -4.081 12.688 -2.223) 13.512 9.143 ( 1.667 -1.461 0.841) 2.371 9.294 ( 0.674 5.381 -3.002) 6.199 9.614 ( -0.769 3.265 13.652) 14.058 10.777 ( -12.534 21.401 -22.571) 33.535 56.321 ( 0.401 -0.871 -0.033) 0.959 56.362 ( 0.456 -0.847 0.163) 0.976 ======================= Grid point 21 (14/424) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -0.731 -37.701 -26.300) 45.973 3.230 ( 19.437 -0.635 -4.924) 20.061 3.953 ( 14.165 -10.646 1.363) 17.772 4.659 ( 11.250 -7.757 0.142) 13.666 5.852 ( 3.761 20.525 9.871) 23.083 6.243 ( 8.678 -1.621 9.524) 12.986 6.904 ( 2.049 10.300 9.407) 14.099 7.074 ( -9.749 -4.315 -6.050) 12.258 7.391 ( -0.230 1.123 -6.598) 6.697 7.818 ( -1.563 9.469 -0.484) 9.610 8.239 ( -1.503 1.037 1.505) 2.366 8.358 ( 10.043 -0.861 8.138) 12.955 9.109 ( -1.978 10.506 -4.034) 11.427 9.171 ( 2.448 2.797 0.891) 3.822 9.675 ( 0.812 -2.331 9.793) 10.100 10.271 ( -11.574 15.620 -21.760) 29.179 56.338 ( 0.329 -0.694 -0.029) 0.769 56.380 ( 0.346 -0.716 0.129) 0.805 ======================= Grid point 22 (15/424) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -3.379 -26.831 -18.208) 32.601 3.479 ( 16.964 -9.046 -5.472) 19.989 4.304 ( 14.318 -11.886 4.162) 19.069 4.840 ( 7.737 -2.652 2.550) 8.567 5.448 ( -0.597 31.248 5.372) 31.712 6.125 ( -1.014 17.756 4.958) 18.463 6.758 ( -7.955 3.686 -14.601) 17.030 7.170 ( 6.092 -5.959 17.618) 19.570 7.387 ( -1.930 -2.684 -5.749) 6.632 7.693 ( 1.979 6.638 0.436) 6.940 8.269 ( 0.809 -3.115 0.477) 3.254 8.496 ( 4.880 -2.361 7.900) 9.581 8.900 ( -3.668 8.323 -5.442) 10.600 9.135 ( 4.357 6.863 2.481) 8.499 9.705 ( -3.297 -1.011 0.965) 3.581 9.970 ( -5.058 4.003 -9.294) 11.313 56.350 ( 0.258 -0.403 -0.034) 0.480 56.392 ( 0.155 -0.412 0.094) 0.450 ======================= Grid point 23 (16/424) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -3.891 -7.098 -7.139) 10.792 3.803 ( 11.568 -12.081 -7.817) 18.463 4.568 ( 7.206 -3.062 -0.216) 7.832 4.886 ( -3.414 26.170 -0.045) 26.391 5.005 ( 9.691 1.400 11.241) 14.908 5.866 ( -0.553 10.903 6.248) 12.578 6.561 ( -14.407 0.190 -20.134) 24.759 7.341 ( 4.731 -0.925 2.311) 5.346 7.434 ( 4.639 -3.757 5.945) 8.425 7.628 ( 2.037 4.450 2.612) 5.547 8.326 ( 1.854 -1.635 -0.851) 2.615 8.497 ( -5.080 4.906 -2.088) 7.365 8.793 ( -1.134 -0.476 0.959) 1.559 9.080 ( 4.080 5.285 4.354) 7.971 9.685 ( -4.446 -1.856 -2.144) 5.274 9.948 ( 1.178 -3.961 2.613) 4.889 56.356 ( 0.183 -0.027 -0.046) 0.191 56.396 ( -0.066 -0.012 0.063) 0.092 ======================= Grid point 24 (17/424) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -6.275 5.511 -1.524) 8.489 3.915 ( 7.738 12.374 3.399) 14.984 4.350 ( -5.435 25.313 0.414) 25.893 4.659 ( 6.768 2.208 2.426) 7.521 5.190 ( 5.786 -7.050 0.306) 9.126 5.870 ( -0.760 -8.283 4.864) 9.636 6.339 ( -16.831 -1.385 -21.624) 27.438 7.365 ( 1.747 -0.342 -5.107) 5.409 7.554 ( 7.012 2.318 -0.244) 7.389 7.625 ( 3.004 -1.504 10.511) 11.035 8.268 ( -9.768 6.269 -7.809) 13.989 8.374 ( 4.616 2.713 1.176) 5.481 8.840 ( -2.500 -5.219 2.792) 6.425 9.087 ( 3.086 0.333 6.314) 7.035 9.635 ( -5.369 1.062 -4.771) 7.260 10.143 ( 5.970 -12.516 12.143) 18.432 56.354 ( 0.123 0.370 -0.043) 0.392 56.391 ( -0.281 0.403 0.014) 0.491 ======================= Grid point 25 (18/424) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -10.470 11.862 0.121) 15.822 3.670 ( 10.340 29.586 18.420) 36.353 3.945 ( -2.243 19.551 11.633) 22.860 4.609 ( 2.260 11.159 -2.238) 11.603 5.388 ( 0.332 -13.706 -12.833) 18.779 5.817 ( -14.952 10.365 -12.037) 21.815 6.355 ( -6.750 -24.774 -9.427) 27.352 7.372 ( 2.917 0.537 -4.566) 5.444 7.502 ( -0.156 5.549 -0.948) 5.632 7.776 ( 5.123 -6.217 6.119) 10.116 8.057 ( -7.125 5.416 -2.942) 9.420 8.407 ( 6.786 0.837 2.831) 7.400 8.911 ( -3.339 -6.582 0.354) 7.389 9.163 ( 1.930 -4.048 5.665) 7.225 9.512 ( -7.036 3.576 -8.321) 11.469 10.526 ( 8.931 -18.586 18.202) 27.505 56.346 ( 0.094 0.732 -0.004) 0.738 56.378 ( -0.451 0.735 -0.067) 0.865 ======================= Grid point 26 (19/424) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -16.581 18.597 -2.285) 25.020 3.274 ( 17.995 44.986 31.196) 57.626 3.844 ( -1.175 -3.684 19.972) 20.343 4.354 ( 1.021 20.016 -3.008) 20.266 5.236 ( -24.316 23.424 -20.961) 39.740 5.522 ( -3.816 -5.763 -21.583) 22.663 6.775 ( -4.485 -33.392 -7.065) 34.425 7.379 ( 5.412 3.674 -2.251) 6.918 7.424 ( 1.075 2.121 -1.226) 2.675 7.878 ( -3.299 1.258 1.650) 3.897 7.961 ( -3.578 -3.144 3.161) 5.717 8.528 ( 8.565 -4.475 6.279) 11.524 8.997 ( -1.854 -7.575 -1.438) 7.930 9.243 ( -1.520 0.685 0.712) 1.813 9.386 ( -4.687 -4.505 -7.815) 10.165 11.000 ( 9.078 -20.476 18.132) 28.817 56.332 ( 0.066 1.064 0.055) 1.068 56.359 ( -0.508 0.855 -0.157) 1.007 ======================= Grid point 27 (20/424) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -20.766 23.936 -2.770) 31.810 2.791 ( 21.425 50.317 35.403) 65.147 3.903 ( -7.719 14.922 6.376) 17.969 4.039 ( -2.995 20.126 -5.675) 21.124 4.529 ( -11.917 12.232 -2.195) 17.218 5.477 ( -9.914 -6.294 -26.824) 29.281 7.217 ( -3.417 -23.468 -4.991) 24.235 7.363 ( 6.922 2.349 2.779) 7.820 7.449 ( 6.203 0.060 -5.205) 8.098 7.777 ( -5.253 4.152 2.017) 6.993 7.965 ( -10.007 -2.152 2.107) 10.450 8.726 ( 4.780 -8.024 5.208) 10.694 9.014 ( -3.196 4.443 -3.979) 6.767 9.276 ( 2.602 -12.784 1.250) 13.106 9.511 ( -1.455 -12.368 -5.473) 13.602 11.455 ( 6.960 -18.692 13.662) 24.176 56.313 ( -0.031 1.325 0.061) 1.327 56.341 ( -0.367 0.734 -0.165) 0.837 ======================= Grid point 28 (21/424) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -19.215 26.716 -1.209) 32.931 2.288 ( 23.953 52.620 36.587) 68.420 3.102 ( -25.281 50.226 -34.485) 65.962 3.485 ( -5.463 25.088 3.286) 25.885 4.828 ( 10.637 -21.164 26.313) 35.404 5.387 ( -11.649 -6.303 -26.339) 29.481 7.297 ( 5.866 6.075 4.523) 9.580 7.494 ( 7.860 1.472 -6.479) 10.292 7.570 ( 1.861 -12.055 -3.541) 12.701 7.665 ( -5.778 2.061 -0.065) 6.135 7.826 ( -16.246 2.626 2.449) 16.638 8.893 ( 0.005 0.365 -0.307) 0.477 8.930 ( 0.464 -7.679 0.082) 7.694 9.573 ( 3.055 -11.533 8.860) 14.861 9.715 ( -0.313 -19.447 -10.083) 21.908 11.815 ( 3.583 -14.734 7.103) 16.744 56.290 ( -0.083 1.309 0.016) 1.311 56.327 ( -0.157 0.569 -0.085) 0.597 ======================= Grid point 29 (22/424) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.000 26.490 -0.000) 26.490 1.724 ( -0.000 52.099 -0.000) 52.099 1.914 ( -0.000 57.293 -0.000) 57.293 3.055 ( -0.000 23.386 -0.000) 23.386 5.274 ( 0.000 -0.443 0.000) 0.443 5.392 ( 0.000 -25.985 0.000) 25.985 7.208 ( -0.000 10.874 -0.000) 10.874 7.496 ( -0.000 2.624 -0.000) 2.624 7.580 ( -0.000 4.905 -0.000) 4.905 7.640 ( -0.000 1.625 -0.000) 1.625 7.753 ( 0.000 -6.790 0.000) 6.790 8.862 ( -0.000 0.635 -0.000) 0.635 9.119 ( 0.000 -11.081 0.000) 11.081 9.715 ( 0.000 -5.107 0.000) 5.107 10.055 ( 0.000 -19.951 0.000) 19.951 12.045 ( 0.000 -9.930 0.000) 9.930 56.271 ( -0.000 1.013 -0.000) 1.013 56.318 ( -0.000 0.404 -0.000) 0.404 ======================= Grid point 32 (23/424) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 20.704 0.000 37.078) 42.467 1.834 ( 32.849 0.000 38.076) 50.288 2.546 ( 59.270 0.000 1.006) 59.278 3.183 ( 28.147 0.000 -10.025) 29.879 4.994 ( -4.557 -0.000 -21.060) 21.547 5.646 ( -7.209 -0.000 -12.318) 14.272 7.242 ( -1.342 -0.000 12.685) 12.756 7.469 ( 4.888 0.000 0.749) 4.945 7.516 ( 2.892 0.000 3.931) 4.880 8.097 ( 6.906 0.000 5.490) 8.823 8.140 ( 7.736 0.000 -14.221) 16.189 8.747 ( 1.750 0.000 -2.441) 3.004 9.128 ( -6.578 -0.000 -9.469) 11.530 9.613 ( -3.748 -0.000 -12.410) 12.963 10.376 ( -11.275 -0.000 19.095) 22.175 12.114 ( -8.090 -0.000 -1.567) 8.241 56.268 ( 0.673 0.000 0.016) 0.674 56.318 ( 0.306 0.000 0.004) 0.306 ======================= Grid point 33 (24/424) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 26.953 28.302 31.249) 50.040 2.454 ( 34.344 -11.449 21.779) 42.248 3.294 ( 40.643 -16.441 7.613) 44.498 3.575 ( 32.784 -14.715 -8.675) 36.968 4.750 ( -1.849 12.730 -21.053) 24.672 5.688 ( -4.414 -15.239 -10.103) 18.809 7.213 ( -0.164 5.188 8.197) 9.702 7.367 ( 1.661 10.437 1.973) 10.751 7.617 ( 1.697 -2.091 1.109) 2.913 8.165 ( 5.491 0.238 5.844) 8.023 8.299 ( 8.611 -9.530 -3.679) 13.361 8.811 ( 0.531 -5.783 -2.571) 6.352 8.973 ( -6.967 6.037 -10.521) 13.988 9.520 ( -1.533 4.581 -7.832) 9.202 10.219 ( -12.639 9.388 16.781) 23.010 11.908 ( -9.366 12.494 -4.543) 16.262 56.279 ( 0.739 -0.397 0.014) 0.839 56.324 ( 0.356 -0.327 0.033) 0.484 ======================= Grid point 34 (25/424) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 28.133 13.187 14.605) 34.331 3.000 ( 36.161 -5.481 12.318) 38.593 3.757 ( 14.506 -2.197 -5.385) 15.628 4.014 ( 17.089 -5.383 -17.644) 25.145 4.830 ( 27.070 -18.921 7.262) 33.816 5.923 ( -1.918 -18.791 -6.013) 19.823 7.135 ( 0.458 6.669 5.478) 8.643 7.210 ( -1.927 9.166 3.114) 9.871 7.639 ( 0.289 0.282 -0.104) 0.417 8.234 ( 4.562 -0.274 5.305) 7.003 8.458 ( 4.615 3.773 -1.900) 6.257 8.737 ( -7.335 4.477 -8.906) 12.376 8.941 ( 1.177 -7.067 -2.693) 7.654 9.406 ( 2.091 6.488 -1.189) 6.920 9.955 ( -11.213 12.199 13.423) 21.324 11.508 ( -10.812 20.627 -9.915) 25.312 56.295 ( 0.700 -0.639 -0.006) 0.948 56.336 ( 0.409 -0.630 0.090) 0.756 ======================= Grid point 35 (26/424) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 22.591 -6.200 -1.824) 23.497 3.397 ( 30.466 6.178 -0.381) 31.089 3.713 ( 5.376 -1.667 -10.333) 11.766 4.343 ( 20.957 -10.208 -4.323) 23.708 5.572 ( 27.368 -24.970 12.125) 38.981 6.178 ( -0.520 -13.560 -0.990) 13.606 7.048 ( -6.331 2.872 4.349) 8.201 7.052 ( 1.562 9.266 1.107) 9.462 7.609 ( -0.219 3.641 -2.041) 4.180 8.211 ( -6.727 14.466 -1.841) 16.060 8.298 ( 2.552 1.493 -1.447) 3.292 8.616 ( 3.788 9.788 1.550) 10.609 9.063 ( 0.064 -7.492 -2.885) 8.028 9.374 ( 3.803 3.366 -0.179) 5.082 9.717 ( -7.266 8.001 13.421) 17.232 10.977 ( -12.159 24.731 -14.922) 31.339 56.313 ( 0.608 -0.729 -0.027) 0.950 56.353 ( 0.417 -0.818 0.127) 0.927 ======================= Grid point 36 (27/424) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 14.541 -18.993 -11.327) 26.466 3.463 ( 18.665 5.033 -10.040) 21.784 3.985 ( 20.389 -7.638 6.288) 22.662 4.672 ( 16.494 -7.207 -2.297) 18.145 6.107 ( 13.557 -5.599 4.564) 15.362 6.300 ( 0.734 -1.341 3.312) 3.648 6.916 ( -6.633 2.486 -8.071) 10.738 7.005 ( -0.145 -0.102 9.627) 9.628 7.485 ( 0.605 9.487 -5.282) 10.875 7.931 ( -4.843 9.099 1.160) 10.373 8.262 ( -1.730 3.008 -0.355) 3.488 8.554 ( 10.653 7.359 7.329) 14.878 9.165 ( 0.435 -5.545 -1.910) 5.881 9.252 ( -2.060 11.043 -4.055) 11.943 9.682 ( -0.931 -1.232 13.655) 13.742 10.403 ( -12.063 22.910 -17.075) 31.016 56.331 ( 0.521 -0.695 -0.040) 0.870 56.371 ( 0.332 -0.805 0.134) 0.881 ======================= Grid point 37 (28/424) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 6.568 -24.242 -14.997) 29.253 3.633 ( 22.266 -1.045 -1.583) 22.347 4.326 ( 18.543 -7.317 5.875) 20.783 4.891 ( 11.259 -2.670 -0.979) 11.613 5.971 ( 3.676 27.257 4.802) 27.920 6.289 ( -3.563 3.458 -3.504) 6.077 6.693 ( -13.279 6.992 -17.840) 23.313 7.179 ( 7.326 -7.844 17.313) 20.370 7.372 ( 2.226 3.423 -1.658) 4.406 7.806 ( -0.298 5.171 1.837) 5.496 8.237 ( 0.538 -1.398 0.095) 1.501 8.585 ( 6.390 3.776 6.081) 9.595 9.019 ( -2.905 11.697 -3.515) 12.554 9.239 ( 1.965 -1.868 0.877) 2.849 9.691 ( -2.641 4.114 3.612) 6.078 9.971 ( -7.860 8.642 -8.971) 14.729 56.346 ( 0.440 -0.532 -0.058) 0.693 56.386 ( 0.169 -0.598 0.130) 0.635 ======================= Grid point 38 (29/424) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -0.284 -21.466 -14.328) 25.810 3.883 ( 22.164 -0.362 2.303) 22.286 4.622 ( 13.721 -4.559 1.466) 14.532 4.996 ( 6.362 -0.188 1.897) 6.641 5.489 ( 2.591 32.425 2.165) 32.600 6.111 ( -3.313 13.103 4.498) 14.244 6.391 ( -13.443 5.148 -19.571) 24.295 7.295 ( -0.879 -1.114 -2.327) 2.725 7.492 ( 8.599 -5.722 14.670) 17.942 7.737 ( 2.239 5.115 -0.675) 5.624 8.282 ( -1.303 -3.065 -2.703) 4.289 8.555 ( 0.140 5.732 1.700) 5.980 8.832 ( -1.385 6.574 0.888) 6.776 9.245 ( 3.936 5.837 3.011) 7.656 9.586 ( -4.848 -0.931 -3.330) 5.954 9.896 ( -2.111 -2.632 2.205) 4.031 56.356 ( 0.358 -0.244 -0.081) 0.441 56.394 ( -0.025 -0.251 0.124) 0.281 ======================= Grid point 39 (30/424) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -4.502 -8.524 -9.367) 13.441 4.099 ( 17.104 0.332 2.151) 17.242 4.558 ( -2.696 17.913 -8.408) 19.971 5.029 ( 12.645 12.702 4.098) 18.386 5.240 ( 7.230 2.448 8.205) 11.206 5.891 ( -2.448 9.381 10.896) 14.585 6.123 ( -14.985 3.488 -21.257) 26.241 7.302 ( -1.031 -2.603 -4.523) 5.320 7.664 ( -0.078 1.207 5.559) 5.689 7.695 ( 10.088 1.051 0.995) 10.191 8.222 ( -9.278 2.550 -6.116) 11.401 8.485 ( 5.097 4.229 0.560) 6.647 8.783 ( -2.015 -0.153 6.329) 6.644 9.191 ( 3.616 5.564 3.952) 7.724 9.565 ( -5.679 -1.257 -2.290) 6.251 10.013 ( 2.084 -11.134 6.006) 12.822 56.360 ( 0.287 0.112 -0.090) 0.321 56.394 ( -0.215 0.172 0.100) 0.293 ======================= Grid point 40 (31/424) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -6.006 6.483 -3.366) 9.457 4.040 ( -2.033 18.983 7.391) 20.472 4.325 ( 10.456 8.370 -9.041) 16.159 4.945 ( 12.549 18.549 13.843) 26.328 5.283 ( 4.518 0.471 -3.270) 5.597 5.781 ( -12.651 6.516 -8.509) 16.580 5.949 ( -7.800 -10.791 -3.721) 13.826 7.332 ( -0.281 -3.475 -4.686) 5.840 7.570 ( -2.847 5.864 -4.266) 7.790 7.809 ( 7.235 -1.021 2.035) 7.584 8.066 ( -5.538 3.648 -1.474) 6.793 8.508 ( 7.113 1.392 1.463) 7.394 8.803 ( -3.066 -2.933 6.035) 7.377 9.175 ( 2.207 1.373 3.946) 4.725 9.471 ( -7.344 2.858 -5.274) 9.483 10.330 ( 5.107 -19.184 10.684) 22.544 56.358 ( 0.256 0.468 -0.062) 0.537 56.384 ( -0.378 0.591 0.038) 0.702 ======================= Grid point 41 (32/424) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -7.350 18.431 -1.716) 19.916 3.823 ( -2.686 4.384 12.321) 13.350 4.182 ( 17.049 27.436 9.506) 33.672 4.731 ( 6.690 21.554 4.401) 22.994 5.185 ( -15.006 9.628 -13.003) 22.067 5.535 ( -1.269 9.670 -10.991) 14.694 6.163 ( -8.433 -28.336 -4.520) 29.908 7.384 ( 1.285 -4.000 -3.655) 5.569 7.455 ( -2.242 1.909 -3.187) 4.339 7.878 ( 2.228 -0.048 1.605) 2.746 7.975 ( -1.184 4.279 1.510) 4.690 8.598 ( 8.902 -1.216 4.729) 10.153 8.851 ( -3.114 -5.847 1.391) 6.769 9.217 ( 0.775 -3.422 2.954) 4.587 9.307 ( -7.642 4.907 -7.179) 11.576 10.767 ( 5.460 -22.538 10.993) 25.664 56.350 ( 0.283 0.815 0.013) 0.863 56.368 ( -0.488 0.868 -0.059) 0.998 ======================= Grid point 42 (33/424) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -7.159 27.145 -1.594) 28.119 3.859 ( 18.986 38.845 19.329) 47.360 3.902 ( 0.052 -5.114 18.442) 19.138 4.403 ( -0.184 25.406 -16.663) 30.384 4.655 ( -17.496 21.746 -4.931) 28.342 5.328 ( -3.103 6.224 -14.185) 15.798 6.644 ( -3.669 -35.677 -2.413) 35.946 7.439 ( 0.831 -0.333 -0.203) 0.918 7.472 ( 3.894 -4.305 -2.938) 6.506 7.843 ( -1.652 4.940 4.313) 6.762 7.901 ( -2.370 3.482 -1.092) 4.351 8.717 ( 5.107 -1.313 4.713) 7.072 8.968 ( -0.514 -9.455 -0.488) 9.481 9.147 ( -3.785 1.636 -4.837) 6.356 9.322 ( -0.687 -8.204 0.162) 8.234 11.208 ( 3.462 -21.899 6.802) 23.191 56.336 ( 0.190 1.303 0.071) 1.319 56.349 ( -0.351 0.748 -0.113) 0.834 ======================= Grid point 43 (34/424) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.000 30.537 -0.000) 30.537 3.354 ( -0.000 46.475 -0.000) 46.475 3.646 ( -0.000 45.955 -0.000) 45.955 3.843 ( -0.000 18.447 -0.000) 18.447 4.575 ( 0.000 -16.302 0.000) 16.302 5.236 ( 0.000 -0.360 0.000) 0.360 7.145 ( 0.000 -26.349 0.000) 26.349 7.454 ( 0.000 -0.486 0.000) 0.486 7.548 ( 0.000 -1.328 0.000) 1.328 7.767 ( -0.000 4.662 -0.000) 4.662 7.779 ( -0.000 6.681 -0.000) 6.681 8.796 ( 0.000 -5.834 0.000) 5.834 8.958 ( -0.000 4.816 -0.000) 4.816 9.330 ( 0.000 -20.284 0.000) 20.284 9.463 ( 0.000 -9.286 0.000) 9.286 11.571 ( 0.000 -18.778 0.000) 18.778 56.313 ( -0.000 1.473 -0.000) 1.473 56.336 ( -0.000 0.640 -0.000) 0.640 ======================= Grid point 48 (35/424) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 18.514 0.000 32.123) 37.077 2.712 ( 32.041 0.000 34.048) 46.754 3.678 ( 49.619 0.000 -5.922) 49.971 3.752 ( 31.796 0.000 -8.755) 32.979 4.813 ( 1.577 0.000 -19.186) 19.251 5.420 ( -6.550 -0.000 -15.762) 17.069 7.244 ( -2.682 -0.000 3.259) 4.221 7.551 ( 2.746 0.000 -0.983) 2.917 7.604 ( 2.666 0.000 3.988) 4.797 8.226 ( 2.467 0.000 3.925) 4.635 8.252 ( 7.146 0.000 0.949) 7.209 8.777 ( 2.787 0.000 -2.087) 3.482 8.916 ( -7.612 -0.000 -11.411) 13.717 9.551 ( 2.583 0.000 -2.866) 3.858 10.186 ( -16.527 -0.000 13.585) 21.393 11.896 ( -11.923 -0.000 -2.702) 12.226 56.284 ( 0.837 0.000 0.019) 0.838 56.325 ( 0.366 0.000 -0.002) 0.366 ======================= Grid point 49 (36/424) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 22.545 21.936 28.559) 42.486 3.248 ( 29.744 -10.511 24.951) 40.222 3.988 ( 23.092 7.972 -14.907) 28.619 4.099 ( 23.445 -3.254 -13.393) 27.196 4.892 ( 28.080 -8.853 -1.685) 29.491 5.511 ( -5.064 -20.091 -14.806) 25.466 7.182 ( -4.178 4.019 1.090) 5.899 7.453 ( 3.386 11.090 2.468) 11.855 7.649 ( 1.370 -0.182 0.639) 1.522 8.259 ( 0.117 -1.019 3.396) 3.547 8.437 ( 5.627 -9.592 3.177) 11.566 8.719 ( -6.547 7.282 -9.534) 13.667 8.865 ( 2.250 -4.263 -2.879) 5.615 9.548 ( 5.308 5.018 1.420) 7.441 9.994 ( -16.656 5.745 10.260) 20.388 11.649 ( -13.212 12.731 -4.817) 18.970 56.295 ( 0.826 -0.303 0.009) 0.880 56.332 ( 0.377 -0.373 0.019) 0.531 ======================= Grid point 50 (37/424) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 25.133 18.221 20.665) 37.292 3.729 ( 13.146 -4.591 2.413) 14.132 3.814 ( 20.685 11.499 -9.778) 25.607 4.434 ( 25.685 -6.283 -5.554) 27.019 5.521 ( 31.868 -20.658 4.502) 38.244 5.792 ( -4.424 -23.578 -12.005) 26.826 7.054 ( -5.797 4.788 1.901) 7.756 7.308 ( 4.102 12.882 3.974) 14.091 7.653 ( 1.792 1.714 0.017) 2.480 8.257 ( -5.466 1.158 1.367) 5.752 8.415 ( -3.064 11.863 -7.950) 14.606 8.668 ( 2.816 -6.083 0.390) 6.715 8.969 ( 2.922 -4.457 0.118) 5.331 9.516 ( 6.325 6.858 2.801) 9.741 9.762 ( -13.484 5.759 9.479) 17.459 11.204 ( -13.685 21.740 -8.083) 26.930 56.310 ( 0.737 -0.492 -0.014) 0.886 56.345 ( 0.370 -0.682 0.064) 0.778 ======================= Grid point 51 (38/424) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 22.809 7.894 10.653) 26.383 3.642 ( 10.027 3.191 -15.958) 19.115 4.179 ( 27.585 -2.954 12.572) 30.458 4.754 ( 20.647 -5.177 -4.624) 21.783 6.045 ( -0.700 -18.940 -7.406) 20.348 6.109 ( 12.584 -13.791 -5.012) 19.330 6.973 ( -1.372 0.917 8.033) 8.200 7.114 ( 1.136 15.185 0.917) 15.255 7.620 ( 3.226 5.850 -1.156) 6.780 8.039 ( -7.516 11.015 0.523) 13.345 8.287 ( -1.374 2.554 -3.967) 4.914 8.750 ( 5.647 1.658 1.476) 6.068 9.057 ( 0.800 -4.389 -1.221) 4.625 9.413 ( -0.091 10.996 -0.768) 11.023 9.670 ( -4.347 -2.042 13.141) 13.991 10.645 ( -12.839 25.518 -10.062) 30.286 56.326 ( 0.638 -0.587 -0.038) 0.868 56.361 ( 0.296 -0.810 0.099) 0.868 ======================= Grid point 52 (39/424) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 16.517 -2.626 1.607) 16.802 3.791 ( 19.054 -5.702 -4.275) 20.343 4.494 ( 21.883 -0.607 9.114) 23.713 4.985 ( 15.225 -1.868 -3.898) 15.827 6.182 ( -9.512 -6.829 -7.177) 13.734 6.278 ( 4.375 -0.208 -9.788) 10.723 6.731 ( -4.053 22.990 -7.402) 24.490 7.158 ( 5.294 -8.839 14.815) 18.046 7.522 ( 4.258 9.247 0.739) 10.207 7.873 ( -2.100 4.433 3.334) 5.931 8.229 ( -1.588 0.838 -3.319) 3.773 8.751 ( 5.601 5.729 1.203) 8.102 9.113 ( -2.840 -2.276 -8.082) 8.864 9.224 ( 0.322 8.714 5.336) 10.223 9.728 ( -1.788 -2.480 10.902) 11.322 10.102 ( -9.577 21.577 -8.583) 25.119 56.341 ( 0.550 -0.568 -0.065) 0.794 56.377 ( 0.155 -0.733 0.122) 0.759 ======================= Grid point 53 (40/424) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 8.699 -9.843 -4.737) 13.964 4.119 ( 23.694 -4.387 4.845) 24.579 4.717 ( 15.465 -2.003 4.034) 16.107 5.097 ( 9.435 2.501 -1.741) 9.915 5.999 ( -5.387 20.137 -4.714) 21.371 6.206 ( 4.572 10.108 -6.915) 13.073 6.315 ( -14.441 7.796 -11.488) 20.033 7.333 ( 2.816 1.587 8.454) 9.051 7.508 ( 5.886 -3.344 7.113) 9.820 7.818 ( 0.671 3.143 0.426) 3.242 8.201 ( -4.585 -1.571 -4.710) 6.758 8.689 ( 3.570 7.260 0.164) 8.091 8.963 ( -1.526 9.595 -1.572) 9.842 9.252 ( -0.598 -4.822 1.567) 5.105 9.671 ( 0.295 12.994 1.042) 13.039 9.828 ( -5.538 -1.736 2.819) 6.452 56.355 ( 0.459 -0.408 -0.095) 0.621 56.388 ( -0.007 -0.487 0.140) 0.507 ======================= Grid point 54 (41/424) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 1.561 -11.606 -7.635) 13.980 4.361 ( 19.884 4.632 8.175) 21.992 4.837 ( 8.150 11.997 -3.708) 14.970 5.144 ( 6.800 -4.154 1.323) 8.077 5.553 ( 2.812 22.711 -3.258) 23.116 6.037 ( -10.040 7.806 4.753) 13.577 6.055 ( -4.667 9.367 -14.090) 17.551 7.311 ( 3.097 4.037 2.724) 5.772 7.658 ( 0.504 -3.894 5.582) 6.825 7.792 ( 4.572 1.478 -2.302) 5.328 8.124 ( -10.191 -0.147 -5.538) 11.599 8.617 ( 4.776 5.856 -1.601) 7.724 8.838 ( 0.296 5.365 6.843) 8.700 9.292 ( -0.874 0.349 -0.236) 0.970 9.527 ( -0.398 4.744 1.219) 4.915 9.876 ( -1.622 -7.349 3.649) 8.363 56.363 ( 0.363 -0.136 -0.113) 0.404 56.393 ( -0.151 -0.115 0.139) 0.235 ======================= Grid point 55 (42/424) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -2.471 -5.398 -5.766) 8.276 4.407 ( 1.566 22.157 9.094) 24.002 4.525 ( 11.347 10.431 -7.580) 17.176 5.299 ( 11.374 0.498 -5.992) 12.865 5.387 ( 3.510 7.633 4.875) 9.713 5.751 ( -9.485 12.684 -12.865) 20.405 5.876 ( -5.793 3.699 11.774) 13.633 7.303 ( 2.760 1.218 0.472) 3.053 7.611 ( -5.027 5.651 -5.157) 9.154 7.856 ( 5.241 -1.563 -1.888) 5.786 8.027 ( -6.226 -1.400 -0.055) 6.382 8.593 ( 4.567 2.092 -2.757) 5.730 8.812 ( 0.472 2.592 10.941) 11.254 9.251 ( 0.694 3.036 -0.275) 3.127 9.441 ( -4.529 3.967 -1.330) 6.166 10.087 ( 1.652 -16.780 4.776) 17.525 56.366 ( 0.282 0.168 -0.098) 0.343 56.389 ( -0.250 0.335 0.102) 0.430 ======================= Grid point 56 (43/424) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -2.468 7.540 -1.685) 8.110 3.994 ( -2.431 19.090 1.780) 19.327 4.578 ( 11.748 4.772 -0.025) 12.680 5.171 ( 0.751 22.012 3.256) 22.264 5.314 ( -2.538 18.042 -2.620) 18.407 5.539 ( 3.279 -12.452 -5.616) 14.048 5.820 ( -7.554 2.414 3.253) 8.572 7.326 ( 1.518 -1.430 -1.167) 2.389 7.444 ( -4.748 3.147 -4.137) 7.040 7.911 ( 2.793 -0.230 -1.277) 3.080 8.017 ( -0.932 0.409 1.783) 2.053 8.635 ( 3.806 -3.221 -1.630) 5.245 8.807 ( -0.358 1.581 7.008) 7.193 9.221 ( 1.299 1.911 0.064) 2.312 9.304 ( -5.244 4.887 -2.705) 7.661 10.452 ( 2.016 -22.749 4.231) 23.227 56.363 ( 0.233 0.428 -0.045) 0.490 56.377 ( -0.278 0.790 0.036) 0.838 ======================= Grid point 57 (44/424) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -0.000 21.334 -0.000) 21.334 3.824 ( -0.000 0.743 -0.000) 0.743 4.567 ( -0.000 8.728 -0.000) 8.728 4.699 ( -0.000 33.212 -0.000) 33.212 4.933 ( -0.000 23.139 -0.000) 23.139 5.525 ( -0.000 18.194 -0.000) 18.194 6.031 ( 0.000 -34.257 0.000) 34.257 7.387 ( 0.000 -5.740 0.000) 5.740 7.416 ( 0.000 -1.543 0.000) 1.543 7.901 ( -0.000 2.702 -0.000) 2.702 7.976 ( -0.000 4.413 -0.000) 4.413 8.773 ( 0.000 -10.350 0.000) 10.350 8.780 ( -0.000 2.391 -0.000) 2.391 9.178 ( -0.000 4.249 -0.000) 4.249 9.237 ( 0.000 -1.788 0.000) 1.788 10.858 ( 0.000 -23.927 0.000) 23.927 56.357 ( -0.000 0.554 -0.000) 0.554 56.359 ( -0.000 1.208 -0.000) 1.208 ======================= Grid point 64 (45/424) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 15.943 0.000 26.512) 30.936 3.531 ( 29.095 0.000 28.796) 40.935 4.194 ( 7.929 0.000 -23.969) 25.247 4.314 ( 25.792 0.000 -10.350) 27.791 5.133 ( 37.141 0.000 -3.908) 37.346 5.233 ( -0.611 -0.000 -13.327) 13.341 7.182 ( -3.858 -0.000 -1.232) 4.050 7.550 ( -1.421 -0.000 -5.232) 5.422 7.670 ( 2.609 0.000 2.919) 3.915 8.253 ( -1.794 -0.000 5.656) 5.934 8.430 ( 6.969 0.000 7.875) 10.516 8.703 ( -6.230 -0.000 -10.381) 12.107 8.850 ( 5.043 0.000 -0.320) 5.053 9.661 ( 6.748 0.000 3.572) 7.635 9.878 ( -18.704 -0.000 6.323) 19.744 11.595 ( -15.629 -0.000 -4.079) 16.153 56.302 ( 0.847 0.000 0.017) 0.847 56.333 ( 0.349 0.000 -0.010) 0.350 ======================= Grid point 65 (46/424) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 17.812 14.871 24.044) 33.414 3.842 ( 9.543 5.744 -1.904) 11.300 4.120 ( 17.943 1.339 0.069) 17.993 4.570 ( 19.645 -6.346 -11.441) 23.603 5.378 ( 3.881 -15.216 -8.878) 18.039 5.619 ( 36.279 -11.201 -4.086) 38.188 7.085 ( -5.035 4.940 -0.914) 7.113 7.480 ( -0.994 4.048 -3.679) 5.560 7.709 ( 4.419 0.875 3.013) 5.420 8.223 ( -4.656 2.050 4.925) 7.080 8.508 ( -3.085 5.430 -5.900) 8.592 8.621 ( 4.668 -3.247 2.955) 6.408 8.943 ( 4.687 -3.894 1.569) 6.293 9.671 ( -11.503 2.878 0.884) 11.890 9.715 ( 1.312 4.123 7.657) 8.795 11.312 ( -16.695 12.021 -5.476) 21.289 56.312 ( 0.772 -0.224 0.003) 0.804 56.340 ( 0.321 -0.405 0.008) 0.516 ======================= Grid point 66 (47/424) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 19.268 16.884 19.687) 32.310 3.716 ( 4.908 3.708 -15.802) 16.957 4.458 ( 25.323 -3.335 14.566) 29.403 4.834 ( 14.680 -8.306 -12.054) 20.732 5.657 ( 1.482 -16.450 -5.441) 17.389 6.098 ( 22.729 -9.517 -10.868) 26.931 6.981 ( -2.784 0.900 5.685) 6.394 7.363 ( 0.668 10.067 -1.387) 10.184 7.747 ( 6.988 3.206 3.161) 8.313 8.104 ( -7.923 6.130 2.528) 10.331 8.319 ( -2.770 7.303 -7.254) 10.660 8.763 ( 5.757 -3.827 0.036) 6.913 9.045 ( 2.692 -1.914 2.636) 4.226 9.505 ( -11.514 1.718 3.818) 12.251 9.692 ( 4.403 5.717 6.540) 9.739 10.857 ( -15.828 19.981 -6.615) 26.334 56.324 ( 0.666 -0.399 -0.024) 0.776 56.352 ( 0.251 -0.686 0.047) 0.732 ======================= Grid point 67 (48/424) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 17.105 12.870 12.786) 24.934 3.822 ( 13.950 -8.428 -5.213) 17.112 4.756 ( 20.308 0.749 10.752) 22.990 5.058 ( 11.120 -7.040 -12.063) 17.853 5.867 ( -5.604 -12.130 -3.158) 13.730 6.264 ( 6.704 0.312 -18.784) 19.947 7.085 ( 0.197 -5.583 9.609) 11.114 7.141 ( 6.527 17.144 3.317) 18.642 7.728 ( 5.696 9.234 1.662) 10.976 7.938 ( -3.390 5.311 3.386) 7.153 8.192 ( -4.749 1.545 -7.814) 9.274 8.846 ( 5.164 0.105 -3.230) 6.091 9.058 ( -0.288 1.250 -2.494) 2.805 9.392 ( -3.719 5.919 8.385) 10.916 9.683 ( -0.580 -0.435 6.853) 6.891 10.345 ( -11.667 21.656 -5.407) 25.186 56.338 ( 0.571 -0.508 -0.054) 0.767 56.366 ( 0.125 -0.765 0.084) 0.780 ======================= Grid point 68 (49/424) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 12.258 6.373 5.780) 14.976 4.201 ( 20.449 -14.243 4.838) 25.386 4.902 ( 12.416 4.159 5.345) 14.143 5.210 ( 9.242 -2.328 -10.114) 13.897 5.896 ( -13.439 -5.150 -4.277) 15.014 6.204 ( -1.183 4.397 -15.129) 15.800 6.762 ( 8.907 29.964 0.103) 31.260 7.337 ( 3.382 -8.788 14.904) 17.629 7.613 ( 2.743 8.158 0.171) 8.608 7.872 ( 0.034 3.231 1.384) 3.515 8.099 ( -8.231 -0.690 -9.362) 12.485 8.841 ( 4.731 5.828 -1.975) 7.763 9.016 ( -0.877 0.996 -6.099) 6.242 9.282 ( -0.673 6.814 8.884) 11.216 9.720 ( -4.031 -3.880 5.622) 7.931 9.931 ( -3.809 17.066 -1.371) 17.540 56.352 ( 0.470 -0.489 -0.084) 0.683 56.379 ( -0.011 -0.664 0.113) 0.673 ======================= Grid point 69 (50/424) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 5.931 0.027 -0.029) 5.931 4.616 ( 18.531 -3.367 10.690) 21.656 4.988 ( 10.572 -4.187 0.109) 11.371 5.231 ( 5.694 7.839 -6.454) 11.642 5.768 ( -12.266 1.958 -6.517) 14.027 5.967 ( -10.999 11.042 -7.480) 17.288 6.395 ( 11.515 27.672 0.092) 29.973 7.475 ( 5.714 5.062 10.007) 12.586 7.585 ( -0.982 -5.619 1.797) 5.981 7.835 ( 1.247 1.336 -1.568) 2.408 7.983 ( -11.329 -0.730 -8.581) 14.231 8.758 ( 2.699 7.251 -2.084) 8.012 8.972 ( 3.795 5.333 1.766) 6.780 9.233 ( -3.282 -0.793 2.171) 4.014 9.683 ( -0.659 8.891 0.596) 8.935 9.771 ( -1.533 -2.371 3.950) 4.855 56.362 ( 0.339 -0.332 -0.097) 0.484 56.387 ( -0.101 -0.408 0.118) 0.436 ======================= Grid point 70 (51/424) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 0.895 -4.796 -2.222) 5.361 4.714 ( 8.078 6.440 8.798) 13.569 4.925 ( 2.058 28.129 -5.097) 28.661 5.280 ( 7.575 -8.791 -2.525) 11.875 5.565 ( 1.675 11.501 -4.454) 12.446 5.770 ( -12.116 -5.255 1.665) 13.311 6.044 ( 1.905 24.191 -1.275) 24.299 7.445 ( 6.029 7.038 6.449) 11.290 7.625 ( -2.892 3.363 -3.954) 5.942 7.857 ( 1.966 -1.896 -1.034) 2.921 7.891 ( -7.695 -5.677 -2.497) 9.883 8.672 ( 1.579 4.863 -1.798) 5.420 8.933 ( 3.398 5.729 6.384) 9.226 9.225 ( -3.334 -2.295 -2.418) 4.715 9.545 ( 0.539 9.129 1.073) 9.208 9.872 ( -0.441 -10.757 1.747) 10.907 56.368 ( 0.182 -0.095 -0.068) 0.217 56.390 ( -0.110 -0.023 0.076) 0.136 ======================= Grid point 71 (52/424) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 0.000 -3.577 0.000) 3.577 4.405 ( -0.000 30.871 -0.000) 30.871 4.699 ( -0.000 3.716 -0.000) 3.716 5.340 ( 0.000 -0.330 0.000) 0.330 5.459 ( -0.000 5.288 -0.000) 5.288 5.649 ( -0.000 23.150 -0.000) 23.150 5.828 ( 0.000 -3.132 0.000) 3.132 7.398 ( -0.000 6.192 -0.000) 6.192 7.464 ( -0.000 6.060 -0.000) 6.060 7.903 ( 0.000 -2.150 0.000) 2.150 7.968 ( 0.000 -5.536 0.000) 5.536 8.627 ( -0.000 1.159 -0.000) 1.159 8.876 ( -0.000 4.517 -0.000) 4.517 9.235 ( 0.000 -1.071 0.000) 1.071 9.394 ( -0.000 9.041 -0.000) 9.041 10.120 ( 0.000 -18.804 0.000) 18.804 56.369 ( -0.000 0.153 -0.000) 0.153 56.386 ( -0.000 0.428 -0.000) 0.428 ======================= Grid point 80 (53/424) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 13.338 0.000 20.511) 24.466 4.080 ( -1.952 -0.000 -20.781) 20.872 4.124 ( 11.561 0.000 4.959) 12.580 4.621 ( 15.422 0.000 -1.203) 15.469 5.398 ( 20.194 0.000 -0.728) 20.208 5.883 ( 34.545 0.000 -9.675) 35.875 7.075 ( -5.426 -0.000 -2.274) 5.883 7.429 ( -5.621 -0.000 -10.171) 11.621 7.796 ( 7.949 0.000 6.961) 10.566 8.243 ( -3.597 -0.000 9.750) 10.392 8.512 ( -1.898 -0.000 -6.715) 6.978 8.655 ( 5.078 0.000 7.730) 9.249 8.965 ( 5.561 0.000 0.832) 5.623 9.515 ( -16.950 -0.000 -1.166) 16.990 9.836 ( 6.378 0.000 5.968) 8.735 11.210 ( -19.057 -0.000 -5.675) 19.884 56.318 ( 0.713 0.000 0.012) 0.713 56.339 ( 0.274 0.000 -0.014) 0.274 ======================= Grid point 81 (54/424) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 13.495 9.936 18.396) 24.885 3.806 ( 0.702 10.036 -15.140) 18.178 4.432 ( -0.611 -20.928 -11.731) 23.999 4.845 ( 19.566 -1.394 10.233) 22.124 5.642 ( 20.012 -2.120 1.489) 20.179 6.196 ( 23.806 -3.484 -14.912) 28.306 6.979 ( -5.197 2.298 1.809) 5.963 7.372 ( -4.915 -2.999 -10.349) 11.843 7.900 ( 10.365 2.203 8.774) 13.758 8.160 ( -5.629 7.283 9.323) 13.101 8.416 ( 0.437 7.703 -7.320) 10.635 8.776 ( 6.153 -3.671 5.446) 9.000 9.043 ( 3.585 -2.341 1.689) 4.603 9.359 ( -13.926 -1.636 -0.577) 14.033 9.869 ( 5.379 5.280 5.315) 9.223 10.907 ( -19.253 10.055 -6.354) 22.630 56.326 ( 0.601 -0.185 -0.003) 0.629 56.345 ( 0.210 -0.405 0.004) 0.457 ======================= Grid point 82 (55/424) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 12.078 15.248 13.826) 23.866 3.797 ( 9.310 -6.790 -5.044) 12.578 4.703 ( -6.108 -21.552 -16.049) 27.556 5.069 ( 16.771 1.648 9.303) 19.249 5.832 ( 12.222 1.097 2.530) 12.529 6.328 ( 11.148 2.727 -19.424) 22.561 6.993 ( -1.957 -6.544 10.667) 12.667 7.345 ( 0.302 0.390 -7.659) 7.675 7.943 ( 3.457 8.064 4.138) 9.700 8.003 ( -1.169 5.743 8.077) 9.980 8.242 ( 1.317 12.175 -6.551) 13.888 8.890 ( 6.695 -1.240 -1.678) 7.013 9.083 ( 0.801 1.043 -1.443) 1.952 9.312 ( -9.866 -6.015 7.915) 14.006 9.812 ( 3.692 8.553 3.988) 10.134 10.494 ( -15.504 14.904 -5.352) 22.161 56.336 ( 0.498 -0.372 -0.031) 0.623 56.356 ( 0.098 -0.646 0.038) 0.655 ======================= Grid point 83 (56/424) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 9.152 13.808 8.209) 18.488 4.143 ( 16.732 -17.078 5.847) 24.613 4.916 ( -8.053 -18.749 -15.771) 25.789 5.165 ( 8.400 4.105 2.818) 9.765 5.842 ( 1.638 6.775 0.518) 6.989 6.289 ( 5.783 6.468 -11.169) 14.143 7.128 ( 2.489 -2.927 5.420) 6.644 7.337 ( 6.132 3.049 6.327) 9.323 7.784 ( -0.729 9.588 -1.248) 9.697 7.952 ( 2.137 8.245 0.967) 8.572 8.013 ( -7.057 7.023 -6.740) 12.023 8.954 ( 7.074 1.683 -3.154) 7.926 9.038 ( 1.103 3.199 -2.632) 4.287 9.329 ( -8.241 -2.067 9.046) 12.411 9.717 ( 0.874 6.075 2.705) 6.708 10.126 ( -7.052 13.514 -1.908) 15.362 56.348 ( 0.385 -0.480 -0.054) 0.618 56.367 ( -0.016 -0.713 0.065) 0.716 ======================= Grid point 84 (57/424) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 4.583 10.023 2.925) 11.402 4.655 ( 17.841 -17.563 12.525) 27.993 5.003 ( -4.446 -3.146 -9.097) 10.603 5.218 ( 0.153 -9.617 -7.504) 12.199 5.672 ( -5.726 11.211 0.824) 12.616 6.137 ( 0.166 13.651 -4.288) 14.310 7.035 ( 13.842 29.407 2.286) 32.582 7.428 ( -3.802 -9.287 7.671) 12.631 7.639 ( 1.819 5.715 2.974) 6.695 7.800 ( -7.403 -1.013 -12.669) 14.709 7.905 ( -1.686 4.125 0.757) 4.521 8.892 ( 0.779 7.530 -1.082) 7.647 9.069 ( 7.716 0.062 -2.473) 8.103 9.245 ( -6.823 4.530 4.977) 9.584 9.669 ( -1.785 -0.088 1.302) 2.211 9.900 ( -0.342 10.196 0.739) 10.229 56.359 ( 0.213 -0.449 -0.050) 0.500 56.378 ( -0.054 -0.624 0.059) 0.629 ======================= Grid point 85 (58/424) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -0.000 3.507 -0.000) 3.507 4.869 ( -0.000 5.895 -0.000) 5.895 5.115 ( 0.000 -13.980 0.000) 13.980 5.365 ( -0.000 19.163 -0.000) 19.163 5.456 ( 0.000 -17.293 0.000) 17.293 5.847 ( -0.000 19.297 -0.000) 19.297 6.547 ( -0.000 33.966 -0.000) 33.966 7.538 ( 0.000 -2.368 0.000) 2.368 7.700 ( 0.000 -6.415 0.000) 6.415 7.707 ( -0.000 4.005 -0.000) 4.005 7.848 ( -0.000 0.820 -0.000) 0.820 8.773 ( -0.000 6.863 -0.000) 6.863 9.083 ( -0.000 7.980 -0.000) 7.980 9.152 ( 0.000 -2.626 0.000) 2.626 9.671 ( -0.000 2.241 -0.000) 2.241 9.777 ( -0.000 2.221 -0.000) 2.221 56.366 ( 0.000 -0.306 0.000) 0.306 56.387 ( 0.000 -0.379 0.000) 0.379 ======================= Grid point 96 (59/424) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 10.648 0.000 13.958) 17.556 3.921 ( -3.562 -0.000 -13.383) 13.849 4.064 ( -5.372 -0.000 -15.063) 15.992 5.099 ( 20.287 0.000 17.044) 26.496 5.860 ( 21.280 0.000 1.506) 21.333 6.351 ( 18.824 0.000 -15.599) 24.447 6.945 ( -6.207 -0.000 -0.161) 6.209 7.224 ( -7.289 -0.000 -12.057) 14.089 8.047 ( 7.854 0.000 9.707) 12.487 8.209 ( -5.892 -0.000 10.812) 12.313 8.511 ( 8.655 0.000 -5.762) 10.398 8.812 ( 4.525 0.000 9.626) 10.637 9.063 ( 3.224 0.000 -1.861) 3.723 9.207 ( -10.546 -0.000 -2.151) 10.763 9.978 ( 4.236 0.000 4.523) 6.197 10.759 ( -20.717 -0.000 -6.987) 21.864 56.330 ( 0.471 0.000 0.007) 0.471 56.344 ( 0.168 0.000 -0.013) 0.169 ======================= Grid point 97 (60/424) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 7.853 9.314 10.397) 16.016 3.778 ( 3.452 -1.049 -5.793) 6.825 4.204 ( -9.117 -19.871 -14.374) 26.164 5.312 ( 14.982 2.691 12.804) 19.891 6.031 ( 14.466 3.459 1.013) 14.908 6.443 ( 11.299 2.730 -15.769) 19.590 6.904 ( -4.612 -3.301 6.978) 8.992 7.194 ( -4.833 -7.782 -12.256) 15.301 8.079 ( -2.491 7.447 5.493) 9.583 8.110 ( -1.296 4.010 7.513) 8.614 8.542 ( 14.425 11.281 -1.456) 18.370 8.902 ( 2.104 -3.062 2.892) 4.708 9.081 ( 0.211 -1.865 -3.407) 3.890 9.163 ( -4.237 -2.752 4.673) 6.882 9.979 ( 2.784 5.610 3.086) 6.982 10.479 ( -17.404 6.416 -6.108) 19.529 56.336 ( 0.343 -0.198 -0.006) 0.396 56.348 ( 0.085 -0.368 0.003) 0.377 ======================= Grid point 98 (61/424) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 3.881 13.915 4.554) 15.147 4.035 ( 12.838 -16.978 6.480) 22.250 4.386 ( -12.981 -21.287 -14.440) 28.813 5.364 ( 6.108 7.351 4.996) 10.785 6.023 ( 4.781 9.045 -1.059) 10.285 6.428 ( 5.980 5.326 -6.955) 10.607 7.010 ( -1.638 -9.628 7.846) 12.527 7.289 ( -0.493 -10.302 -7.428) 12.710 7.898 ( -2.722 9.314 2.242) 9.960 8.056 ( -0.803 4.727 1.730) 5.098 8.351 ( 6.503 25.145 -0.401) 25.976 9.009 ( 6.595 -4.902 -3.691) 9.008 9.088 ( 0.377 1.401 -1.114) 1.829 9.185 ( -7.092 -3.445 6.972) 10.525 9.880 ( 1.216 9.299 1.389) 9.481 10.214 ( -7.693 7.736 -2.498) 11.192 56.344 ( 0.208 -0.390 -0.019) 0.443 56.357 ( -0.003 -0.594 0.020) 0.595 ======================= Grid point 99 (62/424) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -0.000 13.560 -0.000) 13.560 4.525 ( 0.000 -18.458 0.000) 18.458 4.573 ( 0.000 -25.140 0.000) 25.140 5.262 ( -0.000 8.126 -0.000) 8.126 5.864 ( -0.000 12.169 -0.000) 12.169 6.330 ( -0.000 9.462 -0.000) 9.462 7.200 ( 0.000 -12.267 0.000) 12.267 7.423 ( 0.000 -2.791 0.000) 2.791 7.757 ( -0.000 6.422 -0.000) 6.422 7.881 ( -0.000 23.885 -0.000) 23.885 7.995 ( -0.000 9.058 -0.000) 9.058 9.009 ( -0.000 6.019 -0.000) 6.019 9.129 ( -0.000 1.205 -0.000) 1.205 9.194 ( 0.000 -5.476 0.000) 5.476 9.736 ( -0.000 8.096 -0.000) 8.096 10.048 ( -0.000 8.492 -0.000) 8.492 56.352 ( 0.000 -0.476 0.000) 0.476 56.367 ( 0.000 -0.690 0.000) 0.690 ======================= Grid point 113 (63/424) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 6.640 0.000 7.112) 9.730 3.780 ( -4.101 -0.000 -6.587) 7.759 3.901 ( -2.831 -0.000 -6.438) 7.033 5.500 ( 9.164 0.000 8.507) 12.503 6.194 ( 8.933 0.000 0.617) 8.954 6.526 ( 6.424 0.000 -8.754) 10.858 6.841 ( -3.648 -0.000 1.615) 3.990 7.038 ( -3.873 -0.000 -6.588) 7.642 8.141 ( 0.121 0.000 2.361) 2.364 8.142 ( -4.143 -0.000 5.023) 6.511 8.732 ( 8.006 0.000 -1.561) 8.157 8.974 ( 6.147 0.000 7.214) 9.478 9.003 ( -2.634 -0.000 -3.980) 4.773 9.151 ( 0.544 0.000 1.530) 1.624 10.055 ( 1.443 0.000 1.681) 2.216 10.347 ( -12.789 -0.000 -4.749) 13.643 56.337 ( 0.164 0.000 0.002) 0.164 56.346 ( 0.056 0.000 -0.005) 0.056 ======================= Grid point 114 (64/424) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( -0.000 11.536 -0.000) 11.536 3.857 ( 0.000 -13.804 0.000) 13.804 4.005 ( 0.000 -12.529 0.000) 12.529 5.517 ( -0.000 5.220 -0.000) 5.220 6.184 ( -0.000 6.545 -0.000) 6.545 6.518 ( -0.000 3.038 -0.000) 3.038 6.876 ( 0.000 -6.149 0.000) 6.149 7.093 ( 0.000 -9.399 0.000) 9.399 8.042 ( -0.000 8.812 -0.000) 8.812 8.120 ( -0.000 2.914 -0.000) 2.914 8.765 ( -0.000 18.945 -0.000) 18.945 8.867 ( 0.000 -10.234 0.000) 10.234 9.097 ( 0.000 -1.460 0.000) 1.460 9.159 ( 0.000 -0.411 0.000) 0.411 10.016 ( -0.000 5.841 -0.000) 5.841 10.245 ( -0.000 3.048 -0.000) 3.048 56.340 ( 0.000 -0.224 0.000) 0.224 56.349 ( 0.000 -0.333 0.000) 0.333 ======================= Grid point 229 (65/424) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -13.357 -0.000 28.068) 31.084 0.907 ( 29.629 0.000 42.074) 51.459 1.221 ( 12.533 0.000 59.210) 60.522 2.516 ( -5.758 -0.000 -7.065) 9.114 5.067 ( -7.389 -0.000 -18.899) 20.292 5.771 ( -3.302 -0.000 -16.306) 16.637 7.111 ( 20.634 0.000 4.442) 21.107 7.353 ( -0.434 -0.000 4.434) 4.455 7.500 ( 0.250 0.000 4.125) 4.133 7.829 ( 5.334 0.000 -1.506) 5.542 8.304 ( -48.922 -0.000 2.136) 48.968 8.717 ( -1.328 -0.000 -1.105) 1.728 9.310 ( -3.977 -0.000 -2.420) 4.656 9.662 ( -3.844 -0.000 -16.988) 17.417 10.680 ( 6.181 0.000 19.130) 20.104 12.020 ( 7.755 0.000 -4.061) 8.754 56.256 ( -0.051 -0.000 0.296) 0.300 56.309 ( 0.078 0.000 -0.260) 0.272 ======================= Grid point 230 (66/424) ======================= q-point: ( 0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 22.397 22.120 35.480) 47.431 0.933 ( 16.840 -1.757 30.618) 34.988 2.189 ( 27.417 -40.931 29.819) 57.586 2.678 ( 3.166 -24.364 4.267) 24.937 4.785 ( -9.230 15.125 -27.736) 32.913 5.744 ( -1.691 -7.270 -11.127) 13.398 7.179 ( 3.907 8.190 5.897) 10.822 7.418 ( 5.427 -1.791 -2.979) 6.444 7.634 ( 11.084 -6.455 2.311) 13.034 7.870 ( 4.501 2.272 4.943) 7.061 7.934 ( -12.543 -0.446 16.868) 21.025 8.810 ( -2.715 -8.679 -1.833) 9.277 9.191 ( -5.686 6.924 -4.175) 9.884 9.564 ( -4.351 1.632 -15.304) 15.994 10.628 ( 2.461 16.063 20.028) 25.792 11.962 ( 0.156 10.520 -10.906) 15.154 56.262 ( 0.104 -0.521 0.295) 0.607 56.312 ( 0.177 -0.328 -0.223) 0.434 ======================= Grid point 231 (67/424) ======================= q-point: ( 0.13 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.851 -4.818 17.962) 18.617 1.449 ( 31.112 -15.147 14.496) 37.517 2.929 ( 19.160 -24.564 -13.236) 33.848 3.452 ( 11.896 -38.211 31.394) 50.865 4.349 ( -3.093 12.452 -24.267) 27.450 5.895 ( 1.738 -12.262 -2.754) 12.687 7.094 ( -1.767 4.419 3.188) 5.729 7.467 ( -0.298 -1.781 -1.019) 2.073 7.743 ( -1.268 -1.005 7.617) 7.787 7.938 ( 10.082 4.116 3.660) 11.488 8.015 ( 10.240 -1.602 8.830) 13.616 8.900 ( -1.740 -2.404 -0.681) 3.045 8.985 ( -4.897 5.725 -3.657) 8.375 9.418 ( -4.491 5.099 -13.575) 15.181 10.375 ( -0.260 21.861 17.881) 28.244 11.655 ( -5.437 17.910 -16.984) 25.274 56.276 ( 0.200 -0.902 0.246) 0.956 56.321 ( 0.295 -0.549 -0.113) 0.634 ======================= Grid point 232 (68/424) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -6.384 -34.034 -10.743) 36.256 2.054 ( 29.274 -14.839 9.998) 34.309 3.438 ( 15.662 -14.290 -18.172) 27.923 3.651 ( -5.309 -1.661 -18.306) 19.133 4.741 ( 21.426 -34.342 28.724) 49.634 6.111 ( 4.024 -8.399 4.786) 10.470 7.029 ( -4.166 -0.488 -2.280) 4.775 7.463 ( -5.123 -1.349 0.902) 5.374 7.730 ( -6.097 3.718 11.547) 13.577 7.978 ( 14.935 7.869 6.972) 18.264 8.060 ( 9.139 8.983 -4.365) 13.537 8.700 ( -6.803 11.394 -6.382) 14.725 9.048 ( 1.125 -6.327 1.053) 6.512 9.274 ( -0.865 3.661 -6.826) 7.794 10.059 ( -0.873 20.647 15.990) 26.130 11.187 ( -9.076 22.274 -23.307) 33.492 56.295 ( 0.213 -1.067 0.147) 1.098 56.336 ( 0.427 -0.751 -0.001) 0.863 ======================= Grid point 233 (69/424) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -6.418 -43.692 -20.881) 48.848 2.527 ( 20.559 -8.582 1.052) 22.303 3.436 ( 6.586 -2.805 -14.079) 15.794 4.014 ( 11.963 -22.116 -7.380) 26.205 5.568 ( 18.281 -28.484 25.329) 42.274 6.207 ( 4.161 6.363 10.473) 12.942 7.032 ( -5.766 -7.868 -9.163) 13.383 7.419 ( -10.254 -1.774 4.295) 11.257 7.495 ( -1.748 21.150 6.671) 22.246 7.957 ( 3.261 9.021 -5.750) 11.184 8.056 ( 15.638 4.268 6.324) 17.400 8.428 ( -6.593 8.497 -5.682) 12.164 9.122 ( 1.376 -0.535 -0.098) 1.480 9.228 ( 1.207 3.795 -3.250) 5.140 9.840 ( 1.676 10.889 16.929) 20.198 10.636 ( -10.907 22.241 -27.205) 36.793 56.315 ( 0.178 -1.032 0.039) 1.048 56.354 ( 0.504 -0.856 0.072) 0.996 ======================= Grid point 234 (70/424) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -5.749 -45.376 -22.090) 50.793 2.817 ( 14.193 -8.921 -2.951) 17.021 3.689 ( 13.543 -13.905 1.804) 19.494 4.431 ( 9.413 -16.997 -3.707) 19.780 5.960 ( 0.165 15.764 10.735) 19.073 6.189 ( 11.427 -5.331 12.561) 17.799 6.953 ( -4.423 14.430 -5.364) 16.017 7.234 ( -2.936 0.171 1.391) 3.253 7.389 ( -8.481 -4.403 1.406) 9.659 7.790 ( 2.135 11.392 -2.613) 11.881 8.179 ( 10.412 0.106 1.507) 10.521 8.329 ( -0.090 -1.690 2.511) 3.028 9.078 ( -0.104 9.684 -3.060) 10.157 9.127 ( 2.278 4.935 -0.767) 5.490 9.820 ( 2.021 2.450 13.118) 13.497 10.140 ( -8.950 14.517 -23.085) 28.702 56.332 ( 0.140 -0.860 -0.040) 0.872 56.373 ( 0.472 -0.780 0.093) 0.917 ======================= Grid point 235 (71/424) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -5.955 -40.180 -17.251) 44.131 3.132 ( 11.553 -13.575 -0.133) 17.827 4.086 ( 12.290 -15.935 4.099) 20.537 4.733 ( 6.091 -10.936 1.313) 12.587 5.551 ( -3.278 29.497 3.457) 29.879 6.196 ( 2.253 17.596 6.046) 18.742 6.721 ( -4.520 3.697 -7.988) 9.895 7.248 ( -1.085 -1.439 -2.173) 2.823 7.412 ( -4.644 -4.673 4.710) 8.099 7.674 ( 3.262 5.228 2.903) 6.812 8.243 ( 1.218 -2.228 -3.546) 4.362 8.445 ( 6.959 -2.980 3.657) 8.407 8.895 ( -2.114 7.785 -3.310) 8.720 9.069 ( 5.189 6.836 1.640) 8.738 9.784 ( -5.267 -0.212 -5.293) 7.470 9.931 ( 1.043 3.965 1.631) 4.413 56.345 ( 0.092 -0.578 -0.097) 0.593 56.388 ( 0.338 -0.525 0.091) 0.631 ======================= Grid point 236 (72/424) ======================= q-point: ( 0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -4.820 -16.573 -1.059) 17.293 3.504 ( 3.983 -23.748 -9.086) 25.737 4.423 ( 6.436 -10.388 -0.628) 12.237 4.917 ( 0.013 0.202 0.375) 0.426 5.045 ( 1.038 23.002 8.564) 24.566 5.944 ( 3.534 13.995 7.958) 16.483 6.562 ( -14.155 0.202 -20.346) 24.786 7.241 ( 3.900 2.618 -0.569) 4.732 7.443 ( -0.027 -0.986 2.393) 2.588 7.696 ( 1.815 -0.699 9.021) 9.229 8.270 ( 0.671 -1.067 -3.650) 3.862 8.465 ( -0.745 4.832 -9.526) 10.707 8.830 ( 1.088 -1.023 4.143) 4.404 9.056 ( 4.735 1.712 4.535) 6.776 9.770 ( -3.119 -1.117 2.140) 3.944 9.935 ( 3.413 -2.942 2.687) 5.247 56.352 ( 0.031 -0.212 -0.136) 0.254 56.397 ( 0.134 -0.148 0.084) 0.216 ======================= Grid point 237 (73/424) ======================= q-point: (-0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -7.007 -1.157 5.873) 9.216 3.807 ( -0.069 -8.491 -4.407) 9.566 4.446 ( -10.308 9.457 -11.960) 18.405 4.635 ( 6.042 8.103 11.765) 15.511 5.094 ( 4.942 -0.787 2.945) 5.807 5.942 ( 2.963 -5.394 8.468) 10.468 6.337 ( -15.598 -1.228 -24.547) 29.110 7.255 ( 4.188 1.083 0.954) 4.430 7.479 ( 2.142 -1.740 1.067) 2.959 7.740 ( 0.413 0.042 8.872) 8.881 8.265 ( 1.824 3.782 -5.727) 7.101 8.293 ( -5.327 4.138 -10.050) 12.103 8.905 ( 0.577 -4.023 3.564) 5.405 9.117 ( 3.057 -1.657 5.990) 6.926 9.698 ( -3.957 4.976 0.257) 6.363 10.164 ( 7.796 -14.367 9.491) 18.901 56.352 ( -0.027 0.176 -0.142) 0.228 56.396 ( -0.109 0.283 0.060) 0.309 ======================= Grid point 238 (74/424) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -12.749 4.616 6.149) 14.888 3.727 ( 3.628 18.652 11.065) 21.988 4.152 ( -5.891 9.712 3.699) 11.946 4.606 ( -1.313 8.101 3.355) 8.866 5.189 ( -0.019 -10.564 -13.159) 16.875 5.945 ( -12.512 7.041 -10.447) 17.756 6.326 ( -3.229 -19.682 -7.361) 21.260 7.278 ( 1.885 0.415 -0.119) 1.934 7.509 ( -0.823 1.181 0.270) 1.465 7.803 ( 2.651 -4.793 7.134) 8.994 8.120 ( -4.323 2.218 -6.139) 7.829 8.271 ( 4.582 1.176 -2.749) 5.471 8.974 ( -1.907 -4.295 0.637) 4.743 9.201 ( 2.005 -3.672 4.938) 6.472 9.547 ( -5.553 6.632 -4.349) 9.682 10.572 ( 10.293 -18.816 13.964) 25.592 56.345 ( -0.067 0.523 -0.101) 0.536 56.386 ( -0.346 0.675 0.005) 0.759 ======================= Grid point 239 (75/424) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -20.801 9.584 3.291) 23.138 3.398 ( 8.755 34.821 23.673) 43.006 4.104 ( 2.280 -2.227 15.554) 15.877 4.356 ( -9.025 13.631 -5.234) 17.165 5.286 ( -6.863 -9.787 -22.750) 25.699 5.488 ( -20.432 22.246 -11.721) 32.399 6.698 ( 1.755 -26.057 -5.065) 26.603 7.274 ( 1.254 1.788 -1.582) 2.696 7.457 ( -3.158 0.599 1.735) 3.653 7.914 ( 1.000 -1.363 0.415) 1.741 8.109 ( -5.628 -6.776 3.138) 9.351 8.379 ( 11.946 -6.365 1.236) 13.592 9.014 ( -2.794 -4.305 -1.942) 5.487 9.280 ( -2.132 1.261 -0.822) 2.610 9.382 ( -3.307 -0.276 -3.519) 4.837 11.036 ( 10.340 -19.326 12.614) 25.289 56.333 ( -0.098 0.805 -0.009) 0.811 56.368 ( -0.510 0.911 -0.079) 1.047 ======================= Grid point 240 (76/424) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -27.215 13.294 2.548) 30.395 2.940 ( 11.378 43.050 31.172) 54.355 3.859 ( -9.121 27.294 -13.329) 31.715 4.380 ( -3.821 -11.266 17.881) 21.477 4.761 ( -21.489 23.670 -10.535) 33.661 5.298 ( -8.233 -7.199 -21.809) 24.398 7.081 ( 6.720 -13.294 -2.886) 15.173 7.250 ( 2.482 2.040 -0.083) 3.214 7.472 ( -4.499 -6.699 1.569) 8.221 7.889 ( -4.546 0.833 -0.223) 4.627 8.181 ( -5.623 -6.969 2.898) 9.412 8.679 ( 8.762 -12.585 4.679) 16.033 9.016 ( -3.072 4.495 -4.508) 7.069 9.179 ( -0.249 -6.766 -6.597) 9.454 9.492 ( 0.238 -9.084 0.955) 9.137 11.462 ( 8.551 -16.871 7.347) 20.291 56.317 ( -0.178 1.047 0.115) 1.069 56.347 ( -0.504 0.877 -0.168) 1.025 ======================= Grid point 241 (77/424) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -31.145 15.630 3.562) 35.029 2.429 ( 13.894 47.018 36.045) 60.852 3.095 ( -24.675 38.520 -26.316) 52.774 3.882 ( -21.906 29.372 4.708) 36.943 4.916 ( 2.473 -25.144 2.289) 25.368 5.263 ( -5.058 -3.826 -10.705) 12.442 7.184 ( 7.152 4.533 -0.760) 8.501 7.301 ( 3.962 -1.036 3.417) 5.334 7.559 ( -2.335 -5.727 -1.999) 6.500 7.812 ( -8.989 -0.818 -1.739) 9.192 8.202 ( -11.741 -4.733 4.819) 13.545 8.875 ( -0.417 2.984 -2.658) 4.018 8.940 ( 1.015 -10.463 2.976) 10.925 9.465 ( 9.097 -19.014 -8.997) 22.918 9.653 ( 0.628 -10.243 5.663) 11.721 11.789 ( 5.741 -12.507 0.128) 13.762 56.296 ( -0.312 1.152 0.204) 1.211 56.330 ( -0.314 0.651 -0.201) 0.750 ======================= Grid point 242 (78/424) ======================= q-point: (-0.13 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -29.866 19.582 1.876) 35.763 1.913 ( 14.408 48.071 39.066) 63.597 2.023 ( -37.212 40.603 -18.425) 58.077 3.264 ( -15.818 24.619 3.229) 29.441 5.155 ( -12.730 -13.348 -30.861) 35.953 5.439 ( 11.002 -12.765 20.261) 26.353 7.150 ( 5.560 8.501 -0.099) 10.158 7.337 ( 0.315 -0.065 1.617) 1.648 7.543 ( -0.675 3.706 -0.241) 3.775 7.765 ( -6.340 -4.586 -3.649) 8.634 8.181 ( -14.940 -8.959 11.019) 20.613 8.850 ( 1.448 0.251 0.830) 1.688 9.141 ( -0.557 -11.611 1.582) 11.732 9.681 ( -0.659 -7.476 -11.597) 13.813 10.003 ( 9.850 -18.823 11.455) 24.136 11.980 ( 2.651 -6.775 -7.588) 10.513 56.276 ( -0.337 0.959 0.244) 1.045 56.318 ( -0.120 0.433 -0.184) 0.485 ======================= Grid point 243 (79/424) ======================= q-point: (-0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -15.754 27.404 0.442) 31.613 1.051 ( -46.378 15.874 15.895) 51.532 1.461 ( 18.907 45.112 46.816) 67.708 2.777 ( -12.195 16.829 -1.677) 20.850 5.127 ( -9.278 -7.516 -20.357) 23.601 5.748 ( 4.211 -8.655 -1.154) 9.694 7.029 ( 4.590 8.802 2.176) 10.162 7.343 ( -0.421 -0.608 2.087) 2.214 7.506 ( 0.631 1.897 4.594) 5.011 7.785 ( 0.402 -2.489 -3.444) 4.269 8.299 ( -22.133 -24.288 10.982) 34.646 8.866 ( -0.580 1.286 0.386) 1.463 9.289 ( -2.500 -7.354 -0.535) 7.786 9.715 ( -2.323 -3.313 -11.914) 12.582 10.405 ( 8.169 -13.632 15.731) 22.361 12.016 ( 1.119 0.848 -11.072) 11.161 56.261 ( -0.229 0.535 0.273) 0.643 56.312 ( 0.013 0.253 -0.212) 0.330 ======================= Grid point 245 (80/424) ======================= q-point: ( 0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 39.846 0.000 12.605) 41.793 1.793 ( 31.514 0.000 40.947) 51.670 1.923 ( 23.349 0.000 50.422) 55.565 2.537 ( 13.783 0.000 -11.575) 17.999 4.775 ( -7.434 -0.000 -25.823) 26.872 5.547 ( -6.835 -0.000 -21.972) 23.011 7.390 ( 2.437 0.000 1.023) 2.643 7.423 ( 2.798 0.000 -2.307) 3.626 7.697 ( 16.965 0.000 -0.671) 16.978 7.771 ( -13.477 -0.000 25.183) 28.562 7.996 ( 9.190 0.000 2.352) 9.486 8.694 ( 0.149 0.000 -2.099) 2.105 9.166 ( -7.510 -0.000 -5.678) 9.415 9.497 ( -2.808 -0.000 -12.712) 13.019 10.818 ( -4.084 -0.000 18.777) 19.216 12.056 ( 0.440 0.000 -12.310) 12.318 56.261 ( 0.286 0.000 0.307) 0.419 56.311 ( 0.255 0.000 -0.257) 0.362 ======================= Grid point 246 (81/424) ======================= q-point: ( 0.13 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 20.275 40.153 48.219) 65.942 1.740 ( 46.771 0.537 7.467) 47.366 2.793 ( 26.785 -14.920 -13.326) 33.431 3.049 ( 19.401 -42.435 35.788) 58.804 4.469 ( -4.268 14.847 -26.389) 30.578 5.576 ( -5.175 -17.218 -19.237) 26.331 7.276 ( 3.651 11.848 4.323) 13.130 7.432 ( -2.349 -0.430 -0.228) 2.399 7.729 ( -4.210 -0.873 12.094) 12.835 8.034 ( 13.225 -10.662 3.925) 17.435 8.088 ( 9.003 0.049 3.971) 9.840 8.765 ( -0.262 -7.896 -2.652) 8.334 9.012 ( -8.479 6.123 -6.697) 12.419 9.417 ( -1.224 3.511 -9.768) 10.452 10.691 ( -7.636 13.024 17.796) 23.337 11.867 ( -2.583 15.665 -14.220) 21.314 56.269 ( 0.414 -0.456 0.277) 0.676 56.316 ( 0.325 -0.376 -0.214) 0.541 ======================= Grid point 247 (82/424) ======================= q-point: ( 0.20 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 23.711 30.756 39.509) 55.400 2.274 ( 40.958 -5.816 5.297) 41.706 3.296 ( 24.677 -18.912 -11.761) 33.241 3.597 ( -2.363 1.616 -13.550) 13.849 4.523 ( 20.372 -25.678 16.971) 36.911 5.821 ( -2.929 -22.522 -14.849) 27.135 7.141 ( 3.502 10.966 4.577) 12.388 7.392 ( -6.400 0.061 1.078) 6.490 7.733 ( -3.918 0.065 10.457) 11.167 8.141 ( 7.303 1.741 -0.789) 7.549 8.305 ( 12.019 0.486 5.404) 13.187 8.775 ( -7.928 8.650 -7.121) 13.725 8.899 ( -1.189 -9.714 -3.339) 10.341 9.316 ( 1.611 5.004 -5.326) 7.483 10.394 ( -8.317 17.979 16.871) 26.020 11.446 ( -5.172 24.303 -18.126) 30.756 56.284 ( 0.453 -0.750 0.197) 0.898 56.328 ( 0.409 -0.661 -0.111) 0.785 ======================= Grid point 248 (83/424) ======================= q-point: ( 0.27 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 21.431 4.077 19.958) 29.567 2.717 ( 30.270 -0.335 -3.537) 30.477 3.436 ( 4.711 0.901 -14.796) 15.554 3.820 ( 21.023 -18.985 -7.836) 29.391 5.340 ( 20.570 -31.934 23.270) 44.547 6.117 ( -1.363 -19.230 -9.907) 21.675 7.011 ( 2.075 9.662 1.653) 10.019 7.310 ( -9.606 0.080 2.477) 9.921 7.675 ( -5.198 6.039 6.647) 10.377 8.128 ( 4.296 7.948 -6.893) 11.364 8.313 ( 6.218 6.483 7.823) 11.911 8.545 ( -1.025 11.866 -5.549) 13.139 9.030 ( -0.993 -8.494 -3.269) 9.155 9.284 ( 3.342 2.233 -2.010) 4.494 10.093 ( -5.702 14.507 17.997) 23.809 10.889 ( -7.058 28.022 -21.875) 36.243 56.303 ( 0.422 -0.862 0.088) 0.964 56.345 ( 0.475 -0.853 -0.006) 0.976 ======================= Grid point 249 (84/424) ======================= q-point: ( 0.33 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 14.794 -18.349 2.785) 23.734 2.908 ( 19.586 -0.140 -10.146) 22.058 3.653 ( 17.618 -10.369 2.187) 20.560 4.283 ( 16.939 -15.718 -4.692) 23.580 5.995 ( 10.613 -18.657 13.997) 25.625 6.287 ( 0.625 -1.821 -2.613) 3.245 6.879 ( -4.528 3.388 -9.728) 11.252 7.246 ( -7.037 -2.568 8.042) 10.990 7.448 ( -3.281 15.122 -0.256) 15.476 7.984 ( 1.378 9.813 -0.565) 9.926 8.290 ( -3.930 3.240 -3.489) 6.174 8.412 ( 13.255 7.186 6.217) 16.309 9.133 ( 0.032 -5.258 -2.052) 5.645 9.213 ( -0.032 7.956 -4.085) 8.943 9.946 ( -1.458 6.912 17.377) 18.758 10.307 ( -7.086 24.109 -20.690) 32.550 56.321 ( 0.369 -0.831 -0.008) 0.909 56.364 ( 0.461 -0.876 0.057) 0.992 ======================= Grid point 250 (85/424) ======================= q-point: ( 0.40 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 7.784 -28.857 -5.552) 30.400 3.159 ( 20.622 -6.685 -1.019) 21.702 4.022 ( 16.814 -10.937 3.406) 20.345 4.643 ( 12.042 -11.110 -0.946) 16.411 6.008 ( 0.018 25.041 5.436) 25.624 6.299 ( -3.932 -3.147 -4.524) 6.770 6.713 ( -10.655 5.024 -14.544) 18.716 7.245 ( 1.730 5.560 -0.223) 5.827 7.345 ( 2.644 -6.838 12.677) 14.644 7.836 ( 1.431 9.701 1.672) 9.947 8.222 ( -0.176 0.132 -2.782) 2.791 8.500 ( 7.993 0.047 2.764) 8.458 9.014 ( -2.087 10.010 -3.866) 10.932 9.211 ( 3.679 0.304 2.164) 4.279 9.756 ( -5.477 11.685 -10.247) 16.478 10.021 ( -1.295 4.229 8.016) 9.155 56.337 ( 0.313 -0.671 -0.081) 0.745 56.382 ( 0.352 -0.709 0.086) 0.797 ======================= Grid point 251 (86/424) ======================= q-point: ( 0.47 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.596 -30.301 -7.617) 31.250 3.475 ( 20.042 -4.259 4.193) 20.914 4.352 ( 12.484 -9.467 -0.745) 15.685 4.891 ( 7.375 -6.656 3.019) 10.382 5.508 ( -1.872 31.329 1.298) 31.412 6.192 ( -5.733 6.173 -4.365) 9.488 6.434 ( -10.429 10.048 -9.919) 17.553 7.225 ( 0.935 -0.831 -5.481) 5.622 7.518 ( 6.066 -0.953 11.131) 12.712 7.740 ( 1.062 3.080 3.053) 4.465 8.243 ( 1.089 -2.199 -2.805) 3.727 8.513 ( 0.326 4.771 -7.254) 8.688 8.875 ( 0.351 3.992 3.302) 5.193 9.200 ( 5.509 6.622 3.243) 9.204 9.645 ( -3.828 -6.110 -2.447) 7.614 9.980 ( -0.909 3.053 7.175) 7.850 56.348 ( 0.248 -0.392 -0.135) 0.483 56.394 ( 0.170 -0.387 0.101) 0.435 ======================= Grid point 252 (87/424) ======================= q-point: (-0.47 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -6.290 -19.209 -3.200) 20.464 3.729 ( 17.440 -3.471 0.383) 17.787 4.483 ( 1.259 5.760 -7.121) 9.245 4.901 ( 2.429 11.872 0.829) 12.146 5.224 ( 6.822 4.486 9.591) 12.596 6.029 ( -3.607 5.271 -2.363) 6.810 6.145 ( -9.977 7.690 -7.971) 14.907 7.243 ( 0.262 -2.264 -4.565) 5.102 7.548 ( 5.333 4.148 2.240) 7.118 7.764 ( -0.166 -1.144 6.082) 6.191 8.261 ( -2.504 0.579 -5.600) 6.161 8.353 ( 1.078 7.272 -9.098) 11.697 8.890 ( 1.115 -1.103 6.213) 6.408 9.180 ( 3.978 3.034 4.750) 6.899 9.700 ( -6.047 -0.691 4.418) 7.521 10.029 ( 3.554 -9.750 4.175) 11.187 56.353 ( 0.186 -0.038 -0.158) 0.247 56.398 ( -0.055 0.037 0.096) 0.116 ======================= Grid point 253 (88/424) ======================= q-point: (-0.40 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -9.629 -0.636 3.671) 10.324 3.930 ( 12.437 -0.922 -6.039) 13.856 4.201 ( -6.783 14.087 -3.902) 16.115 4.875 ( 10.337 5.087 8.702) 14.438 5.188 ( 2.778 10.356 2.213) 10.948 5.853 ( -13.663 1.503 -18.823) 23.308 6.074 ( -0.845 -4.174 9.015) 9.971 7.271 ( 0.266 -2.084 -3.486) 4.070 7.530 ( 0.692 3.099 -2.151) 3.835 7.793 ( 0.451 -1.991 5.076) 5.471 8.116 ( -4.093 4.956 -6.412) 9.079 8.341 ( 6.785 0.935 -3.826) 7.846 8.931 ( -0.255 -0.830 5.329) 5.399 9.199 ( 1.463 -0.197 4.314) 4.559 9.575 ( -7.793 5.872 -1.073) 9.816 10.363 ( 5.797 -20.233 8.415) 22.667 56.352 ( 0.146 0.322 -0.136) 0.379 56.392 ( -0.285 0.487 0.061) 0.567 ======================= Grid point 254 (89/424) ======================= q-point: (-0.33 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -13.086 12.067 5.472) 18.623 3.903 ( 1.263 7.502 -14.465) 16.344 4.043 ( 4.702 5.847 14.192) 16.053 4.753 ( 5.569 26.630 14.567) 30.861 5.109 ( -0.282 -1.180 -11.710) 11.773 5.584 ( -13.513 12.556 -9.440) 20.721 6.246 ( -4.248 -20.929 -1.476) 21.406 7.293 ( 1.561 -0.723 -3.193) 3.627 7.456 ( -2.651 1.867 -2.348) 4.003 7.894 ( 1.522 -5.674 4.980) 7.702 8.017 ( -2.370 2.420 -1.325) 3.637 8.430 ( 10.524 -2.821 -1.022) 10.943 8.942 ( -2.075 -0.776 2.871) 3.626 9.248 ( 0.224 -3.506 2.451) 4.284 9.370 ( -8.521 7.153 -5.728) 12.513 10.803 ( 5.338 -22.524 8.111) 24.528 56.345 ( 0.140 0.645 -0.063) 0.663 56.377 ( -0.472 0.850 -0.002) 0.972 ======================= Grid point 255 (90/424) ======================= q-point: (-0.27 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -17.053 19.386 6.398) 26.600 3.686 ( 7.460 21.740 -3.568) 23.259 4.117 ( -0.390 -0.850 9.701) 9.746 4.308 ( -1.944 26.274 -2.210) 26.439 4.933 ( -17.442 19.485 -5.834) 26.794 5.211 ( 0.970 8.291 -1.663) 8.511 6.668 ( -2.021 -32.451 -3.244) 32.675 7.309 ( 4.291 1.220 -3.324) 5.563 7.432 ( -0.250 -0.574 1.387) 1.522 7.922 ( -0.577 5.052 1.592) 5.328 8.017 ( -5.481 -6.708 2.729) 9.082 8.642 ( 11.141 -7.029 4.100) 13.796 8.959 ( -1.720 -5.073 -1.707) 5.622 9.140 ( -5.917 7.212 -7.543) 11.996 9.349 ( -1.219 -7.858 0.649) 7.979 11.226 ( 3.067 -21.210 3.563) 21.725 56.334 ( 0.124 0.972 0.064) 0.982 56.356 ( -0.527 0.961 -0.089) 1.099 ======================= Grid point 256 (91/424) ======================= q-point: (-0.20 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -19.365 22.987 9.452) 31.508 3.335 ( 10.788 32.442 -1.151) 34.208 3.476 ( -17.085 44.682 -13.493) 49.703 4.219 ( -9.839 23.769 17.264) 30.981 4.475 ( -7.426 -10.352 -22.161) 25.562 5.261 ( 8.252 -2.495 15.517) 17.751 7.136 ( -0.014 -24.471 -2.263) 24.575 7.325 ( 7.775 3.039 -3.832) 9.185 7.461 ( 0.756 -1.664 3.364) 3.829 7.805 ( -3.472 6.751 0.109) 7.592 8.040 ( -9.959 -3.823 5.358) 11.937 8.814 ( 0.978 -5.583 2.998) 6.412 8.945 ( -0.207 5.469 -1.845) 5.776 9.201 ( 5.168 -18.093 -8.260) 20.550 9.493 ( -0.407 -10.828 2.748) 11.179 11.562 ( -0.494 -17.868 -3.348) 18.186 56.316 ( -0.061 1.315 0.187) 1.329 56.338 ( -0.280 0.742 -0.144) 0.806 ======================= Grid point 257 (92/424) ======================= q-point: (-0.13 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -17.375 24.308 13.999) 32.996 2.354 ( -29.674 49.539 -29.938) 65.045 2.933 ( 17.437 39.518 14.756) 45.645 3.668 ( -4.621 34.849 19.321) 40.113 4.608 ( -11.532 -20.985 -35.012) 42.416 5.508 ( 12.793 -5.297 25.295) 28.837 7.320 ( 2.823 4.373 -3.781) 6.433 7.366 ( 5.324 0.844 -2.090) 5.781 7.559 ( -0.227 -11.013 -0.792) 11.044 7.664 ( 0.467 6.493 2.101) 6.840 7.991 ( -12.394 -2.753 11.075) 16.848 8.888 ( 1.340 0.789 0.959) 1.827 8.948 ( -0.739 -8.859 0.569) 8.908 9.476 ( -0.349 -12.779 -12.127) 17.621 9.786 ( 5.622 -20.119 10.719) 23.479 11.773 ( -4.387 -13.672 -10.565) 17.826 56.293 ( -0.164 1.299 0.225) 1.328 56.325 ( -0.001 0.571 -0.108) 0.581 ======================= Grid point 258 (93/424) ======================= q-point: (-0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -8.936 25.526 9.353) 28.616 1.185 ( -26.142 41.375 -7.244) 49.475 2.526 ( 22.118 40.383 17.943) 49.416 3.129 ( -0.926 33.748 16.370) 37.520 4.705 ( -11.667 -18.395 -33.353) 39.836 5.756 ( 8.922 -1.624 12.205) 15.205 7.168 ( -4.151 6.305 -1.741) 7.747 7.393 ( 7.643 2.326 -3.461) 8.707 7.627 ( 6.011 4.676 4.635) 8.915 7.735 ( 6.072 -5.653 0.093) 8.297 7.969 ( -12.031 -4.303 16.978) 21.249 8.897 ( 1.081 1.476 2.697) 3.259 9.095 ( -3.507 -10.940 -2.322) 11.721 9.578 ( -2.805 -6.757 -12.126) 14.162 10.227 ( 4.710 -20.773 14.905) 25.998 11.870 ( -5.732 -10.041 -14.157) 18.278 56.273 ( -0.071 0.989 0.261) 1.025 56.318 ( 0.136 0.443 -0.120) 0.479 ======================= Grid point 261 (94/424) ======================= q-point: ( 0.13 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 28.815 0.000 21.058) 35.690 2.644 ( 27.760 0.000 40.235) 48.882 2.755 ( 35.312 0.000 22.633) 41.942 2.936 ( 31.088 0.000 -12.525) 33.516 4.508 ( -2.405 -0.000 -24.741) 24.858 5.258 ( -7.074 -0.000 -25.853) 26.804 7.388 ( -4.060 -0.000 0.681) 4.117 7.453 ( 3.505 0.000 -2.393) 4.244 7.714 ( -3.202 -0.000 14.190) 14.547 8.070 ( 14.234 0.000 5.824) 15.379 8.176 ( 6.426 0.000 1.528) 6.605 8.704 ( 2.011 0.000 -1.541) 2.534 8.953 ( -9.094 -0.000 -7.212) 11.607 9.438 ( 2.723 0.000 -4.592) 5.339 10.727 ( -14.381 -0.000 15.220) 20.939 11.927 ( -4.806 -0.000 -14.660) 15.428 56.271 ( 0.577 0.000 0.275) 0.639 56.316 ( 0.385 0.000 -0.243) 0.455 ======================= Grid point 262 (95/424) ======================= q-point: ( 0.20 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 19.384 29.858 41.150) 54.411 2.739 ( 45.004 8.586 6.488) 46.273 3.314 ( 31.106 -9.717 -8.972) 33.801 3.525 ( 10.333 -12.875 1.341) 16.563 4.448 ( 14.825 -8.339 -1.803) 17.104 5.333 ( -5.398 -22.277 -24.177) 33.316 7.329 ( -4.518 2.067 1.593) 5.217 7.391 ( 2.742 8.468 -0.838) 8.940 7.727 ( -2.764 -0.041 10.761) 11.111 8.216 ( 5.151 0.607 -1.256) 5.336 8.334 ( 10.029 -9.284 5.415) 14.700 8.748 ( -4.157 0.861 -4.339) 6.070 8.808 ( -2.554 0.140 -3.349) 4.214 9.434 ( 5.690 4.753 -0.920) 7.471 10.528 ( -16.897 8.494 13.504) 23.238 11.687 ( -6.262 15.946 -15.853) 23.341 56.282 ( 0.645 -0.362 0.225) 0.773 56.323 ( 0.426 -0.410 -0.194) 0.622 ======================= Grid point 263 (96/424) ======================= q-point: ( 0.27 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 24.196 30.919 39.370) 55.600 3.087 ( 34.033 6.787 -9.884) 36.083 3.484 ( 6.176 3.173 -9.907) 12.098 3.788 ( 28.073 -12.927 -7.433) 31.788 5.108 ( 23.160 -30.431 17.660) 42.122 5.637 ( -3.876 -27.327 -20.623) 34.454 7.243 ( -7.614 1.758 2.128) 8.099 7.258 ( 4.549 11.942 1.754) 12.899 7.709 ( -3.506 2.288 7.671) 8.739 8.233 ( 3.875 2.054 -4.473) 6.264 8.456 ( -3.608 9.086 0.401) 9.785 8.599 ( -0.402 -3.435 -5.611) 6.592 8.919 ( 3.886 -5.290 2.474) 7.015 9.404 ( 6.921 6.481 0.800) 9.515 10.241 ( -15.031 9.780 14.317) 22.946 11.220 ( -6.826 25.953 -17.492) 32.034 56.296 ( 0.622 -0.580 0.130) 0.860 56.336 ( 0.456 -0.733 -0.096) 0.869 ======================= Grid point 264 (97/424) ======================= q-point: ( 0.33 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 25.112 17.965 30.546) 43.433 3.106 ( 16.563 5.610 -19.536) 26.219 3.747 ( 26.302 -6.138 5.563) 27.575 4.242 ( 22.772 -12.465 -5.040) 26.445 5.789 ( 12.144 -23.267 6.936) 27.147 5.982 ( -2.916 -24.211 -15.332) 28.806 7.057 ( -0.254 15.202 -1.100) 15.244 7.190 ( -2.309 0.159 8.196) 8.516 7.602 ( -3.166 8.403 1.921) 9.183 8.151 ( 0.253 10.230 -1.347) 10.322 8.276 ( -4.423 2.038 -1.938) 5.242 8.634 ( 4.874 2.705 -2.892) 6.280 9.028 ( 1.598 -4.057 0.435) 4.382 9.350 ( 4.161 8.235 -0.933) 9.273 10.046 ( -8.891 3.895 18.000) 20.451 10.636 ( -6.455 29.499 -17.624) 34.964 56.313 ( 0.559 -0.678 0.027) 0.879 56.354 ( 0.438 -0.889 -0.007) 0.991 ======================= Grid point 265 (98/424) ======================= q-point: ( 0.40 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 20.307 1.836 19.372) 28.125 3.272 ( 22.256 -6.025 -7.081) 24.119 4.112 ( 23.778 -4.478 4.017) 24.528 4.617 ( 16.770 -9.660 -2.315) 19.492 6.097 ( -3.776 -9.826 -8.933) 13.806 6.214 ( -2.422 -8.922 -8.191) 12.352 6.721 ( -4.422 20.330 -6.097) 21.680 7.290 ( 2.657 -7.497 14.465) 16.508 7.433 ( 3.145 10.491 -0.103) 10.952 7.993 ( -1.823 8.532 4.291) 9.723 8.216 ( -1.572 0.958 -3.955) 4.363 8.621 ( 5.828 3.995 -2.395) 7.461 9.068 ( -3.202 -0.603 -6.963) 7.688 9.248 ( 3.916 5.734 3.938) 7.983 9.980 ( -3.246 10.693 11.255) 15.860 10.099 ( -5.717 15.637 -7.672) 18.332 56.330 ( 0.493 -0.658 -0.055) 0.824 56.373 ( 0.342 -0.841 0.048) 0.910 ======================= Grid point 266 (99/424) ======================= q-point: ( 0.47 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 12.059 -10.284 9.936) 18.706 3.648 ( 26.176 -7.350 3.087) 27.363 4.395 ( 18.140 -3.320 -0.080) 18.441 4.885 ( 10.941 -6.244 0.759) 12.620 5.988 ( -6.132 21.333 -11.064) 24.801 6.091 ( -3.928 5.785 -5.645) 8.987 6.434 ( -9.741 2.355 -8.621) 13.219 7.318 ( 5.259 7.964 2.158) 9.784 7.524 ( 5.046 -7.952 10.788) 14.321 7.850 ( -1.035 8.104 1.523) 8.310 8.203 ( -0.850 -1.961 -2.985) 3.671 8.589 ( 2.632 4.945 -5.579) 7.906 8.959 ( -1.491 5.238 -2.805) 6.126 9.294 ( 2.476 -2.309 4.828) 5.897 9.655 ( -0.089 13.957 -3.722) 14.445 10.016 ( -5.077 1.325 10.104) 11.385 56.344 ( 0.425 -0.503 -0.117) 0.669 56.388 ( 0.182 -0.612 0.081) 0.644 ======================= Grid point 267 (100/424) ======================= q-point: ( 0.53 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 3.260 -15.483 4.204) 16.371 3.977 ( 25.115 2.117 5.992) 25.907 4.580 ( 11.391 0.537 -5.003) 12.453 5.040 ( 5.097 -0.060 1.626) 5.350 5.496 ( 0.266 22.994 -0.758) 23.008 5.936 ( -7.439 3.914 -15.957) 18.036 6.266 ( -7.522 6.104 1.463) 9.797 7.271 ( 4.758 4.921 1.879) 7.098 7.674 ( 4.522 0.740 3.570) 5.808 7.738 ( -2.268 1.432 -0.721) 2.777 8.210 ( -4.004 -1.566 -3.855) 5.775 8.476 ( 2.822 7.997 -7.246) 11.154 8.916 ( 1.240 0.441 5.051) 5.219 9.308 ( 2.585 5.135 2.922) 6.449 9.593 ( -2.658 -4.409 4.078) 6.568 9.972 ( -2.855 -0.522 4.558) 5.404 56.353 ( 0.357 -0.234 -0.150) 0.452 56.396 ( -0.015 -0.242 0.091) 0.259 ======================= Grid point 268 (101/424) ======================= q-point: (-0.40 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -3.468 -10.900 3.371) 11.925 4.126 ( 18.319 8.854 -3.218) 20.599 4.466 ( 2.654 18.005 1.823) 18.290 5.015 ( 7.985 2.656 -3.054) 8.953 5.384 ( 4.057 4.417 5.439) 8.096 5.709 ( -9.883 6.021 -18.067) 21.456 6.134 ( -3.674 4.460 10.390) 11.889 7.260 ( 2.978 1.943 1.203) 3.754 7.607 ( -0.766 6.365 -4.574) 7.875 7.757 ( -0.140 -2.577 -0.854) 2.718 8.135 ( -4.395 2.455 -2.231) 5.506 8.419 ( 6.452 2.592 -5.341) 8.768 8.958 ( 1.724 0.072 8.475) 8.649 9.253 ( 0.560 3.931 2.180) 4.529 9.566 ( -8.638 3.165 2.241) 9.469 10.113 ( 2.008 -16.028 3.222) 16.471 56.358 ( 0.307 0.092 -0.144) 0.351 56.396 ( -0.218 0.213 0.074) 0.314 ======================= Grid point 269 (102/424) ======================= q-point: (-0.33 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -6.756 3.327 5.791) 9.500 3.935 ( -1.292 14.674 -16.742) 22.300 4.389 ( 16.655 9.499 14.597) 24.097 5.113 ( 9.332 0.623 -2.993) 9.820 5.232 ( -0.826 18.857 3.004) 19.113 5.501 ( -8.598 -1.639 -11.791) 14.685 6.066 ( -6.434 2.482 7.988) 10.553 7.275 ( 1.929 -0.627 -0.789) 2.176 7.465 ( -3.489 4.148 -4.581) 7.097 7.825 ( 1.724 -4.382 -0.336) 4.721 8.070 ( -0.140 2.914 0.961) 3.072 8.472 ( 7.514 -2.209 -3.837) 8.722 8.971 ( -0.185 2.829 9.191) 9.618 9.214 ( -1.530 0.252 0.080) 1.552 9.384 ( -8.371 6.702 -3.711) 11.348 10.475 ( 1.379 -23.019 2.919) 23.244 56.356 ( 0.294 0.407 -0.096) 0.511 56.385 ( -0.390 0.666 0.036) 0.773 ======================= Grid point 270 (103/424) ======================= q-point: (-0.27 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -8.126 18.079 7.846) 21.318 3.706 ( -3.659 3.047 -20.445) 20.992 4.435 ( 18.189 13.455 10.524) 24.953 4.769 ( -8.638 31.886 -5.271) 33.453 5.007 ( -6.864 9.358 -0.001) 11.605 5.492 ( 7.429 11.479 8.518) 16.109 6.120 ( -6.812 -24.352 0.137) 25.288 7.321 ( 2.811 -2.857 -2.399) 4.671 7.418 ( 0.290 -0.637 -0.090) 0.706 7.897 ( -1.753 -3.451 0.055) 3.871 8.018 ( 0.611 4.831 2.386) 5.423 8.635 ( 8.871 -8.226 -1.361) 12.175 8.916 ( -4.453 3.393 5.218) 7.653 9.170 ( -4.518 4.416 -5.603) 8.444 9.243 ( -1.250 -1.846 -1.132) 2.501 10.866 ( -1.351 -23.686 -1.398) 23.765 56.350 ( 0.331 0.700 -0.012) 0.775 56.367 ( -0.498 0.981 -0.009) 1.100 ======================= Grid point 271 (104/424) ======================= q-point: (-0.20 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -7.246 25.926 10.640) 28.945 3.583 ( -2.965 4.383 -27.689) 28.190 3.966 ( -19.649 37.875 -20.071) 47.153 4.352 ( 9.410 16.402 -7.351) 20.288 4.753 ( -0.865 22.445 27.761) 35.710 5.437 ( 11.401 5.982 20.819) 24.479 6.622 ( -0.055 -35.285 0.197) 35.285 7.407 ( 5.960 -2.625 -3.219) 7.264 7.450 ( 1.357 -0.894 1.220) 2.032 7.872 ( -4.906 2.278 -1.797) 5.700 7.949 ( -2.580 3.149 5.359) 6.730 8.781 ( -3.785 1.361 0.909) 4.123 8.921 ( 1.624 -12.646 -4.522) 13.528 9.082 ( 5.208 3.728 0.004) 6.404 9.321 ( -1.046 -9.120 -0.468) 9.192 11.190 ( -5.261 -21.376 -8.400) 23.562 56.338 ( 0.131 1.271 0.123) 1.284 56.347 ( -0.238 0.758 -0.073) 0.798 ======================= Grid point 272 (105/424) ======================= q-point: (-0.13 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -1.594 28.407 13.719) 31.587 2.793 ( -25.641 49.329 -31.478) 63.888 3.521 ( 5.304 15.129 -15.803) 22.512 4.140 ( -8.949 3.621 -23.619) 25.516 4.443 ( 13.393 31.691 33.911) 48.308 5.642 ( 12.498 -4.196 27.260) 30.280 7.165 ( 4.633 -25.572 1.635) 26.039 7.428 ( -5.575 2.212 -2.907) 6.665 7.487 ( 9.057 1.661 -3.654) 9.906 7.791 ( 1.764 1.779 0.673) 2.594 7.877 ( -8.246 1.232 8.196) 11.691 8.761 ( -4.621 -6.212 -3.032) 8.315 8.998 ( 3.287 3.076 3.029) 5.426 9.226 ( 1.527 -12.086 -7.450) 14.280 9.551 ( 3.601 -17.084 6.774) 18.728 11.401 ( -9.127 -18.080 -15.860) 25.724 56.315 ( -0.134 1.422 0.142) 1.436 56.336 ( 0.194 0.659 -0.011) 0.687 ======================= Grid point 273 (106/424) ======================= q-point: (-0.07 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -0.902 33.556 -1.263) 33.591 1.657 ( -13.190 42.391 -9.851) 45.476 3.228 ( 13.203 25.915 -12.618) 31.704 3.849 ( -0.134 24.748 12.864) 27.892 4.296 ( 4.300 2.226 -7.882) 9.251 5.892 ( 10.172 -0.894 19.130) 21.685 7.191 ( -8.359 7.078 -4.934) 12.013 7.488 ( 2.904 0.774 -2.064) 3.646 7.638 ( 12.595 -10.556 0.963) 16.462 7.807 ( -2.608 0.684 7.237) 7.723 7.879 ( 3.474 -4.355 8.804) 10.419 8.847 ( -4.384 -9.749 -3.385) 11.213 8.987 ( 2.560 2.940 3.769) 5.423 9.372 ( -2.557 -9.745 -10.707) 14.702 9.949 ( 3.117 -21.995 13.034) 25.756 11.520 ( -10.057 -16.125 -19.885) 27.506 56.292 ( -0.009 1.244 0.193) 1.259 56.328 ( 0.287 0.620 -0.020) 0.684 ======================= Grid point 277 (107/424) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 16.689 0.000 30.645) 34.895 3.408 ( 26.818 0.000 31.739) 41.552 3.464 ( 26.499 0.000 -16.196) 31.057 3.566 ( 32.568 0.000 -7.388) 33.395 4.514 ( 16.632 0.000 -7.108) 18.088 4.986 ( -3.002 -0.000 -25.511) 25.687 7.291 ( -5.376 -0.000 0.364) 5.389 7.473 ( 0.335 0.000 -6.747) 6.756 7.739 ( -1.628 -0.000 10.104) 10.234 8.275 ( 3.385 0.000 -0.091) 3.386 8.366 ( 10.643 0.000 8.272) 13.479 8.732 ( -8.059 -0.000 -6.166) 10.148 8.765 ( 4.213 0.000 1.541) 4.486 9.549 ( 7.921 0.000 2.090) 8.193 10.425 ( -21.788 -0.000 9.907) 23.935 11.696 ( -8.869 -0.000 -15.812) 18.130 56.287 ( 0.749 0.000 0.221) 0.780 56.323 ( 0.441 0.000 -0.214) 0.490 ======================= Grid point 278 (108/424) ======================= q-point: ( 0.27 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 15.251 20.550 36.005) 44.173 3.483 ( 13.361 13.018 -28.396) 33.975 3.687 ( 26.561 4.458 15.385) 31.017 3.913 ( 29.578 -6.442 -7.981) 31.306 4.958 ( 26.948 -22.552 8.015) 36.042 5.120 ( 0.314 -21.949 -21.621) 30.811 7.214 ( -6.056 2.408 0.990) 6.592 7.417 ( 0.281 3.554 -5.969) 6.953 7.742 ( -0.936 1.661 8.438) 8.651 8.282 ( 2.406 2.131 -0.604) 3.271 8.512 ( 3.084 -1.390 1.689) 3.781 8.574 ( -3.503 6.060 -3.023) 7.625 8.887 ( 5.305 -6.209 4.630) 9.388 9.598 ( 8.477 5.329 3.241) 10.524 10.188 ( -21.837 3.315 8.765) 23.763 11.426 ( -9.980 14.577 -16.165) 23.946 56.297 ( 0.746 -0.260 0.161) 0.807 56.331 ( 0.441 -0.443 -0.161) 0.646 ======================= Grid point 279 (109/424) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 18.539 24.643 35.632) 47.124 3.286 ( 9.466 8.160 -23.476) 26.595 4.029 ( 33.110 -0.409 8.492) 34.184 4.292 ( 23.123 -9.330 -8.249) 26.263 5.461 ( 2.234 -24.555 -15.727) 29.245 5.604 ( 15.560 -22.095 0.886) 27.038 7.130 ( -3.602 1.084 4.513) 5.875 7.326 ( 0.670 7.672 -2.184) 8.005 7.704 ( 0.629 5.329 4.621) 7.082 8.254 ( -0.205 2.193 -2.163) 3.087 8.321 ( -5.527 11.114 1.101) 12.462 8.625 ( 3.820 -2.551 -4.535) 6.455 9.029 ( 3.171 -2.311 3.292) 5.122 9.566 ( 7.017 9.505 2.972) 12.183 9.986 ( -16.253 -0.547 12.010) 20.216 10.957 ( -9.487 23.785 -15.496) 29.931 56.311 ( 0.679 -0.435 0.064) 0.809 56.345 ( 0.410 -0.763 -0.071) 0.869 ======================= Grid point 280 (110/424) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 18.256 19.178 30.303) 40.241 3.361 ( 18.937 -5.601 -10.731) 22.475 4.373 ( 29.097 0.606 5.325) 29.586 4.631 ( 16.582 -9.755 -7.330) 20.588 5.799 ( -1.134 -18.484 -13.635) 22.997 5.945 ( 1.839 -12.117 -10.565) 16.181 7.070 ( 2.133 17.883 -0.015) 18.010 7.237 ( 0.325 -5.199 11.597) 12.713 7.621 ( 4.403 8.049 0.152) 9.175 8.116 ( -4.633 8.711 6.396) 11.759 8.197 ( -2.633 1.714 -3.888) 4.999 8.673 ( 3.661 -0.696 -7.418) 8.302 9.035 ( -0.958 1.939 -2.628) 3.404 9.463 ( 5.358 11.203 4.649) 13.260 9.948 ( -9.918 -4.830 14.176) 17.963 10.412 ( -6.972 26.061 -12.143) 29.585 56.325 ( 0.605 -0.540 -0.022) 0.811 56.362 ( 0.316 -0.870 -0.001) 0.925 ======================= Grid point 281 (111/424) ======================= q-point: ( 0.47 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 14.395 9.926 23.566) 29.345 3.748 ( 25.838 -13.416 0.199) 29.114 4.616 ( 22.200 3.487 2.269) 22.587 4.895 ( 10.967 -7.259 -5.073) 14.096 5.862 ( -6.919 -3.538 -19.926) 21.388 6.107 ( -2.302 -9.456 -7.342) 12.191 6.671 ( 0.757 29.463 0.876) 29.486 7.439 ( 4.000 -7.982 11.819) 14.812 7.543 ( 5.173 7.145 0.028) 8.822 7.962 ( -3.607 7.457 4.107) 9.246 8.139 ( -4.608 -0.898 -3.951) 6.136 8.675 ( 4.198 2.855 -7.350) 8.933 8.973 ( -1.786 1.752 -4.531) 5.176 9.371 ( 3.588 6.936 6.811) 10.362 9.937 ( -4.768 16.145 -7.255) 18.331 9.972 ( -5.826 1.801 12.503) 13.911 56.340 ( 0.535 -0.528 -0.085) 0.756 56.378 ( 0.167 -0.774 0.040) 0.793 ======================= Grid point 282 (112/424) ======================= q-point: ( 0.53 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 8.056 1.095 16.529) 18.421 4.236 ( 27.824 -8.201 5.787) 29.579 4.735 ( 14.585 4.127 -1.242) 15.209 5.058 ( 5.457 -3.828 -2.813) 7.235 5.725 ( -5.518 6.871 -16.982) 19.132 6.082 ( -0.978 10.096 -5.431) 11.506 6.241 ( -2.784 16.202 0.690) 16.454 7.470 ( 6.389 8.039 5.691) 11.741 7.625 ( 0.790 -6.340 3.264) 7.174 7.819 ( -2.008 6.547 -0.979) 6.917 8.101 ( -7.390 -2.779 -3.641) 8.694 8.617 ( 4.465 6.879 -6.402) 10.404 8.945 ( 1.402 -0.021 1.172) 1.828 9.349 ( -1.044 0.822 5.588) 5.743 9.664 ( 1.241 10.877 -1.598) 11.064 9.938 ( -6.980 -0.083 7.079) 9.942 56.352 ( 0.463 -0.379 -0.121) 0.610 56.390 ( -0.006 -0.510 0.056) 0.513 ======================= Grid point 283 (113/424) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 2.153 -5.188 11.611) 12.898 4.497 ( 19.906 9.782 1.853) 22.257 4.772 ( 9.683 9.544 -1.512) 13.679 5.109 ( 3.584 1.324 -1.114) 3.980 5.498 ( 0.916 7.365 -2.561) 7.851 5.813 ( 2.048 17.337 -10.415) 20.329 6.094 ( -9.226 -0.958 1.020) 9.331 7.425 ( 6.574 8.292 8.017) 13.275 7.639 ( -4.942 2.776 -5.408) 7.834 7.750 ( 2.582 0.698 -2.600) 3.730 8.059 ( -7.453 -3.148 -0.708) 8.121 8.538 ( 5.621 5.964 -5.201) 9.706 9.001 ( 3.349 -1.135 7.665) 8.442 9.302 ( -5.040 2.603 1.171) 5.792 9.562 ( -1.873 4.648 1.587) 5.256 9.932 ( -2.764 -6.663 1.705) 7.412 56.360 ( 0.395 -0.130 -0.119) 0.433 56.395 ( -0.172 -0.114 0.042) 0.211 ======================= Grid point 284 (114/424) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -1.042 -3.816 10.073) 10.822 4.272 ( 4.000 26.809 -10.481) 29.061 4.719 ( 10.150 6.933 11.536) 16.857 5.177 ( 10.593 -1.292 -0.725) 10.696 5.449 ( 0.785 6.315 1.145) 6.466 5.508 ( -0.380 15.838 -11.850) 19.784 6.031 ( -10.445 -1.329 2.237) 10.764 7.381 ( 5.810 7.405 6.448) 11.409 7.479 ( -5.342 5.207 -5.982) 9.562 7.793 ( 3.509 -2.632 -3.145) 5.398 8.061 ( -3.128 -2.835 1.762) 4.574 8.520 ( 5.923 1.756 -3.890) 7.300 9.039 ( -2.706 2.628 10.630) 11.279 9.213 ( -2.086 1.223 -2.919) 3.790 9.420 ( -4.439 7.875 -1.513) 9.165 10.133 ( -1.119 -18.373 -0.513) 18.414 56.364 ( 0.347 0.152 -0.080) 0.387 56.390 ( -0.296 0.351 0.006) 0.459 ======================= Grid point 285 (115/424) ======================= q-point: (-0.27 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -2.336 8.156 8.899) 12.296 3.852 ( 1.773 21.635 -10.880) 24.281 4.769 ( 5.267 4.226 8.825) 11.113 5.137 ( 0.781 23.537 -6.937) 24.551 5.163 ( -0.835 15.617 -2.772) 15.883 5.526 ( 9.375 -14.681 2.881) 17.655 5.903 ( -11.271 2.895 2.908) 11.995 7.345 ( 2.962 2.926 2.556) 4.886 7.412 ( 1.495 0.034 1.199) 1.917 7.859 ( 2.154 -1.845 -2.966) 4.104 8.071 ( -1.230 0.444 2.610) 2.919 8.587 ( 5.557 -4.267 -2.763) 7.531 8.915 ( -11.888 3.703 2.291) 12.660 9.212 ( 4.616 1.997 1.132) 5.155 9.254 ( -2.339 5.754 -3.308) 7.037 10.446 ( -3.609 -22.522 -4.715) 23.291 56.362 ( 0.313 0.400 -0.019) 0.508 56.378 ( -0.330 0.801 -0.024) 0.867 ======================= Grid point 286 (116/424) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -1.394 20.125 8.432) 21.864 3.572 ( 1.729 10.170 -15.960) 19.004 4.321 ( -18.664 36.605 -21.606) 46.424 4.754 ( 1.583 23.731 -11.736) 26.522 5.098 ( 12.307 3.902 29.738) 32.420 5.732 ( 2.578 8.702 13.881) 16.585 6.063 ( 4.424 -33.041 3.306) 33.499 7.379 ( 3.609 -2.281 -0.249) 4.276 7.464 ( 2.576 -1.568 3.556) 4.662 7.857 ( -0.751 1.924 -3.240) 3.842 8.021 ( -2.364 4.305 3.299) 5.916 8.722 ( -9.909 -0.204 -4.844) 11.032 8.761 ( 2.587 -7.091 -1.766) 7.752 9.193 ( -1.889 -2.273 -4.220) 5.152 9.239 ( 8.505 3.529 5.992) 10.986 10.733 ( -7.546 -21.913 -11.732) 25.976 56.356 ( -0.206 0.675 -0.004) 0.705 56.359 ( 0.244 1.047 0.023) 1.075 ======================= Grid point 287 (117/424) ======================= q-point: (-0.13 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.068 24.773 9.307) 26.774 3.236 ( -18.776 42.210 -27.317) 53.670 3.527 ( -3.202 6.578 -24.216) 25.297 4.334 ( 0.133 23.956 -11.304) 26.489 5.174 ( 17.308 20.744 32.928) 42.592 5.760 ( 5.226 -3.118 22.854) 23.650 6.719 ( 8.214 -35.415 4.955) 36.691 7.427 ( -1.429 2.457 -2.650) 3.886 7.521 ( 1.652 -3.570 2.037) 4.430 7.789 ( 0.437 3.280 -1.589) 3.670 7.925 ( -2.669 4.059 1.914) 5.221 8.601 ( -8.657 -2.939 -6.506) 11.221 8.953 ( 2.683 -9.480 -1.532) 9.971 9.197 ( 1.422 0.844 -1.687) 2.362 9.384 ( 7.421 -8.949 8.291) 14.279 10.928 ( -11.461 -19.641 -19.752) 30.121 56.335 ( -0.257 1.241 0.012) 1.267 56.351 ( 0.456 0.755 0.085) 0.886 ======================= Grid point 288 (118/424) ======================= q-point: (-0.07 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -2.855 37.443 -13.028) 39.747 2.202 ( -4.423 36.927 -6.042) 37.679 3.480 ( 3.471 -2.410 -25.864) 26.207 3.929 ( 0.540 20.988 -12.151) 24.258 5.000 ( 19.624 32.962 32.175) 50.068 5.999 ( 7.493 -6.156 21.498) 23.584 7.219 ( -6.800 6.933 -6.388) 11.623 7.365 ( 7.313 -21.736 4.434) 23.358 7.584 ( -4.249 -4.887 6.461) 9.148 7.782 ( 4.206 1.544 3.608) 5.752 7.911 ( 5.169 -2.692 -3.908) 7.017 8.610 ( -7.071 -9.537 -6.150) 13.371 9.077 ( 2.678 -0.684 1.609) 3.198 9.215 ( 1.277 -3.502 -3.347) 5.009 9.692 ( 4.037 -16.736 12.065) 21.023 11.043 ( -12.729 -18.972 -25.121) 33.957 56.313 ( -0.035 1.245 0.079) 1.248 56.343 ( 0.451 0.771 0.072) 0.896 ======================= Grid point 293 (119/424) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 8.818 0.000 28.006) 29.361 3.661 ( 11.014 0.000 -26.331) 28.542 3.935 ( 8.313 0.000 -6.800) 10.740 4.177 ( 30.941 0.000 11.384) 32.969 4.978 ( 15.177 0.000 -7.301) 16.842 5.053 ( 32.271 0.000 -3.658) 32.477 7.186 ( -5.053 -0.000 1.183) 5.190 7.378 ( -4.274 -0.000 -11.111) 11.904 7.789 ( 2.333 0.000 8.564) 8.876 8.334 ( 2.571 0.000 0.406) 2.603 8.519 ( -3.746 -0.000 -1.425) 4.008 8.647 ( 5.786 0.000 6.736) 8.879 8.887 ( 5.428 0.000 4.287) 6.917 9.739 ( 7.327 0.000 3.981) 8.338 9.990 ( -23.412 -0.000 4.760) 23.891 11.380 ( -12.810 -0.000 -16.200) 20.653 56.303 ( 0.773 0.000 0.160) 0.789 56.331 ( 0.415 0.000 -0.174) 0.450 ======================= Grid point 294 (120/424) ======================= q-point: ( 0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 9.613 10.399 27.150) 30.621 3.474 ( 6.491 15.106 -20.097) 25.966 4.160 ( 8.119 -17.081 -16.148) 24.869 4.484 ( 29.967 3.773 9.887) 31.780 5.237 ( 19.252 -9.309 -2.392) 21.518 5.494 ( 23.180 -13.840 -7.031) 27.898 7.123 ( -3.772 1.179 4.108) 5.701 7.320 ( -4.698 -2.113 -10.613) 11.797 7.831 ( 6.308 3.602 7.794) 10.654 8.321 ( 0.918 4.564 2.233) 5.163 8.413 ( -5.321 6.132 -0.510) 8.135 8.686 ( 6.830 3.751 2.483) 8.178 9.013 ( 3.516 -4.633 3.543) 6.810 9.730 ( -10.537 0.824 5.845) 12.078 9.832 ( -3.485 1.760 3.614) 5.320 11.090 ( -13.708 12.180 -15.644) 24.104 56.313 ( 0.712 -0.177 0.099) 0.740 56.338 ( 0.374 -0.464 -0.119) 0.608 ======================= Grid point 295 (121/424) ======================= q-point: ( 0.40 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 9.972 19.145 27.120) 34.662 3.424 ( 14.757 -3.510 -11.216) 18.865 4.473 ( 4.473 -18.602 -17.615) 26.006 4.741 ( 27.833 4.203 6.840) 28.968 5.585 ( 14.032 -9.945 0.034) 17.199 5.808 ( 10.486 -7.623 -15.224) 19.995 7.164 ( 1.421 -5.843 10.698) 12.272 7.252 ( -3.931 2.633 -8.336) 9.585 7.825 ( 8.756 9.323 2.931) 13.122 8.214 ( -3.594 8.008 4.845) 10.026 8.245 ( -4.229 7.433 3.070) 9.086 8.707 ( 6.500 1.689 -4.230) 7.937 9.053 ( -0.600 1.336 -2.630) 3.010 9.664 ( -5.760 0.846 10.589) 12.084 9.794 ( -2.657 0.248 3.628) 4.504 10.651 ( -11.956 18.731 -12.881) 25.685 56.324 ( 0.630 -0.346 0.016) 0.719 56.352 ( 0.283 -0.748 -0.046) 0.801 ======================= Grid point 296 (122/424) ======================= q-point: ( 0.47 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 8.600 16.351 23.748) 30.089 3.763 ( 22.998 -14.644 -0.305) 27.267 4.743 ( 1.053 -16.988 -16.944) 24.017 4.932 ( 20.878 5.998 4.763) 22.239 5.719 ( 0.597 -0.940 -14.197) 14.241 6.000 ( 11.036 -5.846 -1.894) 12.632 7.079 ( 0.440 14.481 -3.154) 14.827 7.366 ( 4.177 -9.004 10.950) 14.780 7.718 ( 4.333 10.610 -3.674) 12.036 8.043 ( -5.921 7.868 3.418) 10.423 8.115 ( -4.219 5.030 4.459) 7.936 8.735 ( 6.593 1.157 -6.721) 9.486 8.995 ( -0.198 3.032 -3.030) 4.291 9.573 ( 0.748 9.756 6.610) 11.807 9.807 ( -9.071 -5.764 5.671) 12.152 10.213 ( -6.742 17.955 -6.640) 20.296 56.337 ( 0.559 -0.463 -0.045) 0.727 56.367 ( 0.138 -0.814 -0.002) 0.825 ======================= Grid point 297 (123/424) ======================= q-point: ( 0.53 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 5.064 11.546 20.012) 23.653 4.308 ( 26.844 -17.791 4.931) 32.580 4.923 ( -0.792 -6.477 -10.301) 12.193 5.005 ( 11.209 1.958 -1.618) 11.493 5.668 ( -0.700 0.688 -15.392) 15.423 6.103 ( 2.945 4.062 3.152) 5.925 6.771 ( 9.032 28.461 0.392) 29.863 7.521 ( -1.746 -3.891 -1.095) 4.403 7.643 ( 4.991 0.872 3.800) 6.333 7.860 ( -7.729 5.882 -0.631) 9.733 8.014 ( -5.134 2.764 3.197) 6.650 8.747 ( 6.409 4.350 -6.810) 10.314 8.963 ( 2.134 0.439 0.549) 2.247 9.432 ( -1.888 8.379 5.053) 9.965 9.769 ( -7.722 1.273 -2.174) 8.122 9.939 ( -2.635 8.578 3.346) 9.577 56.350 ( 0.485 -0.452 -0.077) 0.668 56.380 ( -0.020 -0.697 0.009) 0.698 ======================= Grid point 298 (124/424) ======================= q-point: (-0.40 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 1.155 4.590 16.395) 17.064 4.791 ( 17.196 0.974 2.630) 17.423 4.919 ( 8.819 -3.286 -5.947) 11.133 5.119 ( 4.464 -4.518 -0.838) 6.406 5.576 ( -2.846 3.770 -9.633) 10.729 5.967 ( -4.975 9.965 4.125) 11.878 6.364 ( 10.179 31.584 -2.725) 33.295 7.545 ( -1.079 -2.132 -0.931) 2.564 7.688 ( 1.579 2.555 -0.265) 3.016 7.724 ( -3.890 1.944 -1.850) 4.726 7.954 ( -4.068 -0.607 5.487) 6.857 8.683 ( 4.782 6.870 -5.149) 9.828 9.031 ( 4.740 -2.354 4.138) 6.718 9.289 ( -7.236 5.163 2.392) 9.206 9.656 ( -0.636 5.098 -3.505) 6.219 9.842 ( -4.881 0.626 2.934) 5.729 56.361 ( 0.398 -0.312 -0.069) 0.511 56.389 ( -0.150 -0.423 -0.016) 0.449 ======================= Grid point 299 (125/424) ======================= q-point: (-0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -0.116 -2.634 15.636) 15.857 4.668 ( 0.020 15.282 -7.667) 17.097 4.932 ( 6.572 14.425 -1.936) 15.970 5.320 ( 8.401 -5.532 7.429) 12.505 5.498 ( 4.084 3.232 -1.864) 5.532 5.783 ( -3.330 7.779 0.056) 8.462 5.981 ( 0.500 19.500 -3.899) 19.893 7.478 ( -4.978 5.428 -4.901) 8.847 7.621 ( 4.969 8.029 5.321) 10.838 7.735 ( -0.533 -6.485 -6.171) 8.968 7.983 ( -0.693 -2.664 6.535) 7.091 8.623 ( 4.804 4.803 -2.722) 7.319 9.058 ( -8.409 4.708 4.461) 10.619 9.191 ( 1.470 -2.158 -0.017) 2.611 9.533 ( -0.950 8.611 -2.394) 8.988 9.876 ( -2.871 -9.881 -1.263) 10.367 56.367 ( 0.295 -0.092 -0.021) 0.310 56.390 ( -0.210 -0.030 -0.071) 0.224 ======================= Grid point 300 (126/424) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 0.919 -0.621 15.092) 15.133 4.288 ( 2.546 27.216 -5.893) 27.963 4.782 ( -5.222 2.953 1.937) 6.304 5.373 ( -0.653 9.118 -3.776) 9.891 5.489 ( 4.441 9.785 -0.074) 10.746 5.620 ( 15.391 12.968 9.358) 22.195 5.746 ( -13.330 -1.984 -8.518) 15.943 7.359 ( -2.728 0.780 -0.061) 2.838 7.571 ( 6.534 7.482 5.005) 11.123 7.824 ( 1.978 -4.519 -5.494) 7.384 8.041 ( -0.374 -2.320 5.404) 5.893 8.611 ( 4.294 1.385 -1.026) 4.627 8.843 ( -13.853 5.175 -3.389) 15.172 9.256 ( 1.373 0.856 0.485) 1.689 9.380 ( 2.447 7.176 0.062) 7.582 10.065 ( -3.466 -16.984 -5.084) 18.064 56.369 ( 0.128 0.155 0.048) 0.207 56.385 ( -0.109 0.404 -0.125) 0.437 ======================= Grid point 301 (127/424) ======================= q-point: (-0.20 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 1.472 12.003 9.828) 15.583 3.884 ( 5.279 24.142 -3.451) 24.953 4.597 ( -13.877 20.313 -8.358) 25.982 5.021 ( -7.760 16.679 -6.290) 19.442 5.312 ( 5.006 4.102 -0.446) 6.487 5.731 ( -2.422 -4.974 4.896) 7.387 5.836 ( 14.619 -9.874 11.936) 21.300 7.389 ( 1.109 -2.756 4.487) 5.381 7.542 ( 5.327 5.094 3.734) 8.263 7.870 ( 1.643 -0.445 -4.247) 4.576 8.050 ( -2.847 2.003 4.324) 5.551 8.620 ( -11.381 2.652 -5.937) 13.108 8.679 ( 3.430 -4.527 -2.312) 6.132 9.163 ( -2.985 3.469 -5.469) 7.131 9.401 ( 8.423 2.289 6.749) 11.034 10.287 ( -6.653 -18.501 -11.202) 22.628 56.364 ( -0.229 0.489 0.043) 0.542 56.376 ( 0.299 0.682 -0.074) 0.749 ======================= Grid point 302 (128/424) ======================= q-point: (-0.13 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 3.815 18.445 4.761) 19.427 3.587 ( 2.790 21.080 -5.635) 21.998 3.783 ( -15.556 40.720 -26.214) 50.865 4.674 ( -2.047 19.726 -4.804) 20.405 5.525 ( 8.320 -12.273 17.839) 23.197 5.787 ( 2.940 2.311 12.768) 13.305 6.308 ( 11.392 -26.625 9.805) 30.575 7.460 ( 3.417 -1.238 2.648) 4.497 7.508 ( -1.733 3.661 1.286) 4.250 7.863 ( 0.416 1.277 0.644) 1.489 7.948 ( -2.790 5.478 -1.291) 6.282 8.475 ( -7.643 0.423 -6.367) 9.956 8.832 ( 3.820 -8.858 -0.771) 9.677 9.118 ( -2.227 -3.552 -6.418) 7.666 9.484 ( 9.443 1.451 10.399) 14.121 10.447 ( -10.601 -17.149 -19.245) 27.872 56.350 ( -0.278 0.877 -0.027) 0.921 56.369 ( 0.506 0.740 0.061) 0.898 ======================= Grid point 303 (129/424) ======================= q-point: (-0.07 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.860 28.391 -9.917) 30.130 2.708 ( -9.922 38.841 -16.293) 43.273 3.487 ( 7.839 8.529 -10.949) 15.940 4.320 ( 4.086 22.279 -6.321) 23.516 5.719 ( 17.355 19.748 24.660) 36.046 5.919 ( 1.111 -16.559 15.905) 22.987 6.931 ( 5.703 -32.407 6.914) 33.623 7.335 ( -4.472 9.943 -5.268) 12.109 7.511 ( -4.145 -0.111 5.682) 7.034 7.839 ( -3.876 -5.106 -4.759) 7.984 7.917 ( 10.538 3.501 1.151) 11.164 8.413 ( -5.782 -3.067 -4.399) 7.886 9.015 ( 3.590 -8.254 0.527) 9.017 9.167 ( -1.102 -5.370 -5.236) 7.581 9.625 ( 7.607 -3.717 14.476) 16.770 10.530 ( -12.972 -17.102 -26.454) 34.067 56.332 ( -0.072 1.048 -0.010) 1.051 56.362 ( 0.522 0.808 0.103) 0.967 ======================= Grid point 309 (130/424) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 6.044 0.000 10.035) 11.714 3.742 ( 5.762 0.000 -4.221) 7.142 3.858 ( -1.603 -0.000 -22.292) 22.350 4.852 ( 26.270 0.000 13.908) 29.724 5.427 ( 24.326 0.000 5.788) 25.005 5.612 ( 26.479 0.000 -15.397) 30.631 7.107 ( -4.310 -0.000 5.110) 6.685 7.189 ( -6.598 -0.000 -12.396) 14.042 7.984 ( 11.783 0.000 9.872) 15.372 8.382 ( 0.965 0.000 1.767) 2.013 8.411 ( -4.187 -0.000 -1.341) 4.396 8.829 ( 5.997 0.000 7.759) 9.807 9.004 ( 3.004 0.000 2.190) 3.718 9.516 ( -20.664 -0.000 3.161) 20.905 9.925 ( 5.811 0.000 2.225) 6.223 10.984 ( -16.480 -0.000 -15.793) 22.826 56.319 ( 0.658 0.000 0.105) 0.667 56.338 ( 0.328 0.000 -0.128) 0.352 ======================= Grid point 310 (131/424) ======================= q-point: ( 0.40 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 7.861 0.060 11.845) 14.216 3.533 ( 5.602 12.166 -5.553) 14.499 4.083 ( -1.891 -20.050 -16.616) 26.109 5.104 ( 22.793 3.877 10.165) 25.256 5.698 ( 19.181 -0.909 3.595) 19.536 5.838 ( 20.834 -3.035 -15.912) 26.390 7.111 ( -1.783 -3.811 9.806) 10.671 7.130 ( -6.275 -4.108 -11.790) 13.973 8.095 ( 12.278 6.707 7.889) 16.061 8.317 ( -4.324 5.966 0.719) 7.403 8.339 ( -0.182 6.217 3.980) 7.384 8.835 ( 5.909 5.823 2.235) 8.592 9.041 ( -0.920 -0.909 -3.509) 3.740 9.436 ( -13.373 -9.631 8.908) 18.733 9.934 ( 4.353 5.692 0.720) 7.202 10.691 ( -16.194 8.714 -14.083) 23.163 56.327 ( 0.564 -0.140 0.052) 0.583 56.344 ( 0.251 -0.452 -0.079) 0.523 ======================= Grid point 311 (132/424) ======================= q-point: ( 0.47 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 1.693 13.971 15.549) 20.972 3.748 ( 18.961 -13.546 0.554) 23.309 4.327 ( -5.337 -20.783 -18.388) 28.258 5.241 ( 14.768 6.559 5.872) 17.193 5.774 ( 9.722 5.087 -11.515) 15.906 6.099 ( 19.612 -3.466 2.375) 20.057 7.086 ( -6.094 -2.942 -9.159) 11.388 7.279 ( 2.718 -10.048 9.854) 14.334 7.987 ( 1.478 14.744 -1.345) 14.879 8.167 ( -3.686 8.387 2.055) 9.389 8.233 ( 3.299 11.624 10.357) 15.914 8.819 ( 6.284 2.744 -3.949) 7.913 9.024 ( 0.879 0.797 -3.933) 4.108 9.511 ( -11.731 -8.957 10.171) 17.925 9.842 ( 2.553 9.200 -1.279) 9.633 10.338 ( -11.274 11.367 -9.250) 18.490 56.336 ( 0.488 -0.328 -0.004) 0.588 56.356 ( 0.114 -0.689 -0.035) 0.699 ======================= Grid point 312 (133/424) ======================= q-point: ( 0.53 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -1.205 13.216 14.972) 20.007 4.270 ( 24.316 -20.313 5.961) 32.240 4.544 ( -7.863 -20.773 -18.931) 29.185 5.220 ( 4.897 8.641 1.760) 10.087 5.742 ( 8.705 6.934 -7.847) 13.617 6.277 ( 10.533 4.562 8.127) 14.064 7.068 ( 1.063 -1.846 -8.509) 8.771 7.464 ( 0.035 -3.567 2.408) 4.304 7.757 ( 3.543 12.450 -1.006) 12.984 7.945 ( -4.843 13.121 5.712) 15.107 8.084 ( -2.998 8.419 6.912) 11.298 8.850 ( 7.838 1.844 -6.672) 10.457 9.010 ( 2.521 1.744 -0.435) 3.096 9.493 ( -12.074 -0.136 6.737) 13.827 9.715 ( -0.613 5.683 -3.077) 6.491 10.070 ( -4.112 9.505 -3.297) 10.869 56.347 ( 0.411 -0.447 -0.028) 0.608 56.368 ( -0.033 -0.739 -0.030) 0.740 ======================= Grid point 313 (134/424) ======================= q-point: ( 0.60 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -4.523 9.613 13.448) 17.139 4.709 ( -8.893 -16.223 -15.435) 24.094 4.885 ( 24.601 -17.833 6.563) 31.085 5.129 ( 1.726 4.121 -2.304) 5.027 5.650 ( 1.667 9.781 -0.924) 9.965 6.204 ( 3.110 14.052 9.015) 16.983 6.981 ( 9.201 26.035 -7.539) 28.624 7.377 ( -9.100 -6.979 -7.050) 13.462 7.654 ( -0.777 6.730 -0.999) 6.848 7.853 ( 3.465 2.134 10.231) 11.011 7.966 ( -2.753 3.119 6.942) 8.093 8.825 ( 4.676 6.390 -5.474) 9.626 9.054 ( 5.181 -1.851 1.117) 5.614 9.332 ( -9.678 7.111 3.360) 12.471 9.639 ( -2.797 0.024 -4.313) 5.141 9.899 ( -1.915 7.965 -0.930) 8.245 56.358 ( 0.294 -0.435 -0.009) 0.525 56.378 ( -0.125 -0.629 -0.072) 0.645 ======================= Grid point 314 (135/424) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -4.944 1.105 15.101) 15.928 4.722 ( -8.403 -0.138 -9.385) 12.598 5.115 ( -5.303 -9.744 -5.275) 12.284 5.287 ( 15.276 11.583 -6.818) 20.347 5.549 ( 3.016 -5.331 9.565) 11.358 6.009 ( 4.742 17.455 14.569) 23.225 6.473 ( 1.166 32.940 -6.220) 33.543 7.461 ( -9.159 -7.873 -10.560) 16.043 7.549 ( 1.761 2.075 0.328) 2.741 7.809 ( 2.934 5.648 -0.366) 6.375 8.007 ( 2.926 -0.490 12.642) 12.985 8.750 ( 3.779 6.039 -2.058) 7.415 9.084 ( -8.106 8.593 -0.145) 11.815 9.174 ( 2.455 -3.367 2.575) 4.899 9.617 ( 0.294 1.748 -5.074) 5.375 9.764 ( -3.560 2.317 -1.337) 4.453 56.366 ( 0.118 -0.309 0.049) 0.334 56.385 ( -0.107 -0.372 -0.149) 0.415 ======================= Grid point 315 (136/424) ======================= q-point: (-0.27 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -1.453 -6.797 19.028) 20.257 4.529 ( -8.702 8.337 -6.670) 13.774 4.993 ( -1.028 21.731 -0.402) 21.759 5.235 ( -7.351 -13.266 -7.597) 16.963 5.670 ( -1.256 7.288 -4.389) 8.600 5.798 ( 5.559 19.876 10.341) 23.084 6.072 ( 10.257 17.039 6.224) 20.839 7.352 ( -4.604 2.330 -2.371) 5.678 7.606 ( -3.564 -4.870 -6.212) 8.660 7.803 ( 6.117 -0.101 -2.807) 6.731 8.072 ( 3.627 0.835 10.564) 11.201 8.694 ( 1.713 4.120 0.487) 4.489 8.819 ( -9.790 9.565 -4.479) 14.401 9.282 ( 2.850 -1.693 2.678) 4.262 9.502 ( 0.059 7.091 -2.458) 7.505 9.810 ( -1.474 -9.481 -4.052) 10.416 56.370 ( -0.117 -0.096 0.094) 0.179 56.387 ( 0.058 -0.034 -0.197) 0.208 ======================= Grid point 316 (137/424) ======================= q-point: (-0.20 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 1.988 0.173 17.213) 17.329 4.274 ( -3.396 13.922 -1.167) 14.378 4.683 ( -3.312 11.925 4.627) 13.213 5.208 ( -12.429 24.161 -11.220) 29.396 5.316 ( -12.890 -5.182 -6.863) 15.495 5.644 ( 7.080 6.124 -8.630) 12.732 6.095 ( 17.626 6.682 21.300) 28.443 7.353 ( 0.285 -3.818 4.533) 5.934 7.594 ( -4.005 -1.743 -8.051) 9.160 7.860 ( 0.649 -1.030 -0.014) 1.218 8.111 ( 4.932 3.195 6.121) 8.485 8.556 ( -9.215 5.503 -7.061) 12.848 8.687 ( 3.163 1.408 0.676) 3.527 9.205 ( -3.226 7.227 -4.715) 9.212 9.506 ( 5.953 -0.875 5.187) 7.944 9.958 ( -2.676 -12.091 -7.307) 14.378 56.367 ( -0.298 0.203 0.048) 0.364 56.387 ( 0.283 0.262 -0.128) 0.406 ======================= Grid point 317 (138/424) ======================= q-point: (-0.13 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 3.017 13.858 8.358) 16.462 3.981 ( 0.238 21.820 2.037) 21.916 4.243 ( -8.546 38.456 -17.668) 43.174 4.840 ( -7.254 3.965 4.321) 9.328 5.281 ( -4.439 -11.000 -2.782) 12.184 5.760 ( 3.808 -13.089 -2.630) 13.883 6.292 ( 17.112 -0.759 21.070) 27.154 7.450 ( 0.582 -3.718 5.737) 6.861 7.541 ( -3.163 0.475 -8.113) 8.721 7.805 ( -11.438 1.814 2.983) 11.959 8.107 ( 10.315 6.860 -0.354) 12.393 8.417 ( -4.176 1.466 -4.129) 6.053 8.752 ( 3.638 -4.904 0.165) 6.108 9.061 ( -3.216 2.753 -6.588) 7.831 9.607 ( 6.905 -0.647 8.041) 10.619 10.076 ( -6.041 -11.040 -13.184) 18.226 56.358 ( -0.270 0.522 -0.029) 0.589 56.384 ( 0.410 0.474 -0.003) 0.627 ======================= Grid point 318 (139/424) ======================= q-point: (-0.07 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 5.669 17.782 0.410) 18.668 3.216 ( -14.012 45.339 -23.783) 53.081 3.820 ( 11.170 18.880 1.956) 22.024 4.650 ( 1.640 15.078 -0.804) 15.188 5.590 ( -3.261 -24.895 7.019) 26.070 6.043 ( 8.820 -8.487 9.808) 15.685 6.595 ( 10.018 -14.043 12.024) 21.027 7.394 ( -6.804 4.717 -6.374) 10.448 7.536 ( -0.953 3.699 6.365) 7.423 7.664 ( -9.227 -4.802 -4.762) 11.440 8.118 ( 11.944 5.823 0.759) 13.310 8.361 ( -2.016 1.358 0.313) 2.451 8.908 ( 3.409 -8.962 -0.483) 9.601 9.035 ( -1.535 -4.827 -5.901) 7.777 9.715 ( 6.135 -0.843 11.623) 13.170 10.115 ( -9.292 -9.943 -20.488) 24.596 56.346 ( -0.093 0.755 -0.056) 0.763 56.379 ( 0.459 0.643 0.077) 0.793 ======================= Grid point 325 (140/424) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 8.190 0.000 1.185) 8.275 3.737 ( 2.335 0.000 -15.945) 16.115 3.793 ( -2.819 -0.000 6.835) 7.394 5.360 ( 15.672 0.000 6.810) 17.088 5.926 ( 19.493 0.000 5.667) 20.300 5.974 ( 19.927 0.000 -18.364) 27.098 7.008 ( -3.726 -0.000 -7.475) 8.352 7.074 ( -3.437 -0.000 10.919) 11.447 8.253 ( -0.666 -0.000 9.881) 9.903 8.352 ( -6.219 -0.000 1.435) 6.382 8.426 ( 13.594 0.000 -2.936) 13.908 8.977 ( 4.490 0.000 6.221) 7.672 8.985 ( -3.000 -0.000 -6.012) 6.718 9.258 ( -6.741 -0.000 8.265) 10.665 10.019 ( 2.826 0.000 -0.704) 2.913 10.542 ( -17.074 -0.000 -13.488) 21.759 56.331 ( 0.435 0.000 0.063) 0.440 56.343 ( 0.211 0.000 -0.085) 0.227 ======================= Grid point 326 (141/424) ======================= q-point: ( 0.47 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -1.446 10.322 7.244) 12.693 3.712 ( 13.187 -10.419 -0.705) 16.821 3.950 ( -2.819 -13.894 -8.395) 16.477 5.452 ( 6.404 4.303 0.105) 7.717 5.989 ( 14.867 7.852 -7.717) 18.500 6.229 ( 17.284 -6.007 -0.184) 18.299 6.960 ( -4.104 0.059 -4.107) 5.806 7.172 ( 0.824 -9.096 12.536) 15.510 8.153 ( -7.480 10.420 0.437) 12.834 8.221 ( -5.332 3.628 4.124) 7.655 8.544 ( 14.682 6.674 0.172) 16.128 8.906 ( -0.998 4.000 0.492) 4.152 9.019 ( 3.202 -0.513 -4.695) 5.706 9.304 ( -6.419 -6.647 8.843) 12.790 9.986 ( 1.190 5.917 -2.469) 6.521 10.313 ( -11.514 4.232 -9.360) 15.431 56.336 ( 0.329 -0.167 0.030) 0.370 56.348 ( 0.108 -0.395 -0.056) 0.413 ======================= Grid point 327 (142/424) ======================= q-point: ( 0.53 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( -5.628 12.108 7.979) 15.555 4.079 ( -3.583 -19.293 -10.848) 22.421 4.202 ( 17.523 -18.002 5.017) 25.619 5.368 ( -1.320 6.998 -3.955) 8.147 5.971 ( 10.629 9.099 -2.955) 14.301 6.458 ( 11.195 -0.863 7.468) 13.485 6.916 ( -4.700 -3.934 -7.704) 9.845 7.385 ( 1.883 -8.401 8.004) 11.756 7.919 ( -3.881 8.026 1.254) 9.003 8.109 ( -3.565 6.273 3.622) 8.073 8.393 ( 4.077 23.507 3.048) 24.052 8.914 ( 5.951 -1.983 -4.915) 7.969 9.039 ( 1.579 -0.465 -3.990) 4.317 9.324 ( -11.046 -3.758 6.503) 13.358 9.852 ( 0.078 9.416 -3.868) 10.180 10.144 ( -2.131 5.786 -4.091) 7.400 56.344 ( 0.234 -0.370 0.014) 0.438 56.356 ( -0.018 -0.604 -0.054) 0.606 ======================= Grid point 328 (143/424) ======================= q-point: (-0.40 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -9.967 11.367 7.063) 16.686 4.264 ( -9.032 -18.226 -13.039) 24.162 4.806 ( 22.443 -23.219 10.073) 33.828 5.213 ( -3.736 6.484 -4.097) 8.531 5.861 ( 1.562 12.019 0.122) 12.120 6.479 ( 4.256 10.313 13.019) 17.145 6.996 ( -1.172 -12.422 -13.115) 18.102 7.381 ( -5.455 9.845 -6.001) 12.756 7.898 ( -1.848 1.212 11.346) 11.559 7.948 ( 7.096 13.921 4.462) 16.249 8.048 ( -2.793 12.112 4.975) 13.389 8.949 ( 5.135 4.462 -5.863) 8.980 9.075 ( 3.754 -1.935 -2.484) 4.900 9.266 ( -11.312 -2.054 4.610) 12.387 9.680 ( -0.866 8.389 -5.226) 9.921 10.024 ( 1.828 8.650 -2.382) 9.156 56.352 ( 0.065 -0.478 0.039) 0.484 56.366 ( -0.055 -0.671 -0.103) 0.681 ======================= Grid point 329 (144/424) ======================= q-point: (-0.33 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -11.360 4.729 9.865) 15.772 4.410 ( -11.561 -15.894 -11.085) 22.564 5.031 ( -7.283 4.332 -3.791) 9.283 5.429 ( 19.322 -18.110 8.090) 27.690 5.619 ( -3.613 14.862 -1.229) 15.344 6.374 ( 6.201 12.566 17.079) 22.092 6.938 ( -7.041 28.461 -7.290) 30.211 7.166 ( -4.550 -12.537 -11.670) 17.722 7.685 ( -1.223 10.830 2.772) 11.246 7.895 ( -1.393 4.629 -0.120) 4.836 8.089 ( 7.464 -0.461 13.481) 15.416 8.876 ( 1.741 6.412 -2.844) 7.227 9.134 ( 2.033 -3.142 -1.582) 4.063 9.161 ( -6.146 6.759 3.103) 9.648 9.594 ( 1.142 -0.992 -5.742) 5.938 9.865 ( 0.645 11.462 -2.770) 11.809 56.360 ( -0.164 -0.467 0.079) 0.501 56.376 ( 0.014 -0.590 -0.171) 0.615 ======================= Grid point 330 (145/424) ======================= q-point: (-0.27 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -7.577 -7.390 17.273) 20.257 4.426 ( -14.991 -4.322 -7.624) 17.365 4.904 ( -10.914 -3.960 -7.638) 13.897 5.313 ( -6.564 14.085 1.510) 15.612 5.795 ( 13.456 0.444 -2.000) 13.611 6.285 ( 5.608 26.034 14.922) 30.527 6.399 ( -0.024 14.174 6.467) 15.580 7.242 ( -5.537 -6.668 -11.928) 14.744 7.537 ( -3.635 4.033 -3.516) 6.468 7.840 ( 0.591 1.153 -0.777) 1.511 8.173 ( 5.522 1.526 8.410) 10.176 8.756 ( -4.251 6.391 -2.636) 8.116 8.951 ( -0.906 12.279 -0.167) 12.314 9.249 ( 1.969 -6.317 4.152) 7.812 9.650 ( 4.663 9.732 -2.090) 10.992 9.679 ( -1.486 -3.463 -5.027) 6.283 56.364 ( -0.343 -0.344 0.075) 0.492 56.384 ( 0.113 -0.392 -0.187) 0.448 ======================= Grid point 331 (146/424) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -1.029 -13.331 22.444) 26.124 4.242 ( -15.746 1.637 -2.758) 16.069 4.849 ( -11.749 -1.834 -4.750) 12.805 5.085 ( -3.897 4.683 -1.545) 6.285 5.523 ( -7.037 30.530 -8.354) 32.425 5.937 ( 6.339 18.243 -2.829) 19.519 6.432 ( 13.518 6.837 21.980) 26.695 7.265 ( -2.923 -6.902 -6.226) 9.744 7.455 ( -5.517 -1.492 -9.268) 10.889 7.842 ( -2.074 -0.383 1.870) 2.819 8.232 ( 6.595 0.410 3.189) 7.337 8.558 ( -7.586 7.381 -5.460) 11.909 8.800 ( 3.093 7.784 2.652) 8.786 9.284 ( -2.809 5.755 -1.849) 6.665 9.549 ( 4.119 0.435 3.828) 5.640 9.798 ( 3.235 -6.235 -3.444) 7.823 56.364 ( -0.394 -0.125 0.019) 0.414 56.390 ( 0.194 -0.146 -0.129) 0.275 ======================= Grid point 332 (147/424) ======================= q-point: (-0.13 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 0.760 1.987 14.681) 14.835 4.132 ( -10.202 -0.956 5.360) 11.564 4.728 ( 0.874 6.110 6.706) 9.113 4.815 ( -11.849 31.338 -14.999) 36.708 5.069 ( -8.991 -5.615 -8.107) 13.345 5.737 ( 5.425 8.689 -3.715) 10.896 6.554 ( 14.501 3.602 19.686) 24.714 7.321 ( -8.439 -7.564 -15.503) 19.204 7.444 ( -0.212 -4.109 0.878) 4.207 7.773 ( -7.742 4.238 5.109) 10.198 8.303 ( 10.250 2.946 -3.603) 11.257 8.395 ( -4.734 1.670 -2.155) 5.463 8.764 ( 3.337 1.960 3.183) 5.011 9.102 ( -3.703 7.976 -3.990) 9.657 9.650 ( 4.676 -3.189 5.478) 7.877 9.899 ( 0.924 -4.303 -4.436) 6.249 56.361 ( -0.311 0.141 -0.049) 0.345 56.392 ( 0.255 0.096 -0.034) 0.274 ======================= Grid point 333 (148/424) ======================= q-point: (-0.07 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 2.496 11.741 6.492) 13.646 3.715 ( -12.667 37.507 -17.305) 43.205 4.268 ( 7.680 21.598 0.901) 22.941 4.818 ( 0.948 1.791 9.823) 10.030 5.145 ( -6.694 -21.995 -3.077) 23.196 5.836 ( 4.039 -14.870 1.542) 15.486 6.690 ( 9.143 1.463 9.363) 13.168 7.279 ( -8.824 -5.190 -12.495) 16.153 7.520 ( -3.564 -2.797 -0.359) 4.545 7.621 ( -2.772 5.710 8.100) 10.291 8.283 ( 3.300 3.590 -6.315) 7.978 8.408 ( 5.071 0.952 3.555) 6.265 8.814 ( 1.408 -3.883 -0.330) 4.144 8.984 ( -0.130 1.361 -1.926) 2.362 9.761 ( 3.029 -2.845 7.081) 8.210 9.919 ( -2.075 -1.528 -8.521) 8.902 56.354 ( -0.132 0.392 -0.090) 0.423 56.392 ( 0.303 0.319 0.049) 0.443 ======================= Grid point 341 (149/424) ======================= q-point: ( 0.47 0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( -10.245 -0.000 3.579) 10.852 3.712 ( 9.839 0.000 3.926) 10.593 3.795 ( 9.106 0.000 -4.011) 9.950 5.496 ( -2.696 -0.000 -8.586) 9.000 6.233 ( 6.655 0.000 3.459) 7.501 6.254 ( 16.537 0.000 -11.689) 20.251 7.016 ( 5.625 0.000 4.503) 7.205 7.091 ( -3.306 -0.000 16.737) 17.061 8.156 ( -9.900 -0.000 -3.225) 10.412 8.206 ( -4.781 -0.000 4.041) 6.261 8.677 ( 8.302 0.000 -4.458) 9.423 8.950 ( 3.216 0.000 -3.928) 5.077 9.046 ( -2.740 -0.000 0.216) 2.748 9.222 ( -3.280 -0.000 7.307) 8.009 10.032 ( -0.200 -0.000 -3.896) 3.901 10.237 ( -3.035 -0.000 -5.464) 6.251 56.337 ( 0.144 0.000 0.038) 0.149 56.345 ( 0.086 0.000 -0.056) 0.103 ======================= Grid point 342 (150/424) ======================= q-point: (-0.47 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( -10.046 9.750 2.384) 14.201 3.820 ( 2.128 -5.749 -1.484) 6.308 4.104 ( 15.863 -17.387 7.138) 24.595 5.370 ( -9.366 2.458 -12.814) 16.061 6.183 ( 2.296 7.511 0.082) 7.855 6.474 ( 9.260 -7.850 -3.537) 12.645 6.943 ( -0.256 8.816 10.185) 13.473 7.285 ( 2.920 -10.386 11.894) 16.058 7.992 ( -4.675 6.647 -2.910) 8.632 8.144 ( -4.913 2.576 2.119) 5.939 8.741 ( 3.050 10.719 -5.916) 12.617 8.838 ( -4.674 -2.521 0.094) 5.312 9.034 ( 1.557 -0.721 -6.043) 6.282 9.226 ( -5.559 -1.277 6.513) 8.657 9.961 ( -1.292 5.700 -5.021) 7.705 10.234 ( 8.054 3.477 -1.410) 8.885 56.340 ( 0.000 -0.224 0.034) 0.227 56.348 ( 0.010 -0.324 -0.056) 0.329 ======================= Grid point 343 (151/424) ======================= q-point: (-0.40 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -13.791 12.055 0.773) 18.333 3.936 ( -2.773 -9.574 -2.903) 10.382 4.662 ( 18.382 -23.725 11.751) 32.231 5.189 ( -10.912 1.721 -11.041) 15.618 6.021 ( -6.722 9.497 -0.259) 11.638 6.653 ( 4.516 -2.570 5.878) 7.846 6.838 ( -0.825 2.755 1.495) 3.241 7.424 ( -0.547 0.889 0.377) 1.110 7.913 ( 0.359 0.102 6.340) 6.351 8.042 ( -5.431 3.664 0.402) 6.563 8.393 ( -3.323 20.610 2.676) 21.047 8.978 ( -2.251 -9.452 -5.973) 11.405 9.033 ( 5.517 1.052 -6.363) 8.488 9.183 ( -4.707 1.358 6.203) 7.904 9.802 ( -2.194 9.158 -5.601) 10.957 10.232 ( 11.391 9.528 -0.993) 14.884 56.344 ( -0.195 -0.409 0.049) 0.455 56.355 ( -0.002 -0.557 -0.090) 0.564 ======================= Grid point 344 (152/424) ======================= q-point: (-0.33 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -16.507 8.407 3.257) 18.809 4.053 ( -6.649 -11.343 -2.753) 13.434 4.955 ( -13.704 0.130 -8.269) 16.006 5.310 ( 12.243 -19.106 12.949) 26.127 5.771 ( -5.496 8.894 -4.735) 11.478 6.628 ( -0.079 8.210 18.882) 20.590 6.915 ( 0.889 -9.981 -13.351) 16.693 7.225 ( -6.077 17.182 -3.382) 18.536 7.830 ( -7.223 9.925 0.254) 12.278 7.946 ( -2.706 4.067 3.726) 6.143 8.225 ( 6.604 3.641 10.640) 13.042 8.947 ( -3.493 2.714 -3.474) 5.625 9.093 ( -0.262 -1.778 -3.418) 3.862 9.191 ( 3.529 -1.148 1.632) 4.054 9.620 ( -1.667 6.633 -6.064) 9.141 10.135 ( 10.225 15.368 -1.227) 18.499 56.349 ( -0.387 -0.504 0.058) 0.638 56.365 ( 0.023 -0.665 -0.129) 0.678 ======================= Grid point 345 (153/424) ======================= q-point: (-0.27 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -14.248 -3.827 12.354) 19.242 4.129 ( -11.708 -9.086 -2.108) 14.969 4.746 ( -16.488 1.399 -9.387) 19.025 5.365 ( -15.385 5.669 5.019) 17.147 5.910 ( 18.897 -7.408 -1.955) 20.392 6.569 ( -2.688 6.037 15.188) 16.564 6.778 ( -1.492 24.197 1.475) 24.288 7.040 ( -1.752 -7.100 -10.707) 12.966 7.593 ( -5.575 9.567 -1.654) 11.196 7.866 ( -1.662 3.171 1.482) 3.875 8.260 ( 1.675 2.166 5.017) 5.716 8.816 ( -4.738 6.995 -4.167) 9.420 9.122 ( 1.583 3.805 -5.419) 6.808 9.194 ( 2.182 -0.346 10.076) 10.315 9.583 ( 0.482 -4.075 -7.415) 8.474 9.958 ( 10.231 17.618 1.172) 20.407 56.353 ( -0.489 -0.503 0.037) 0.703 56.376 ( 0.032 -0.630 -0.141) 0.647 ======================= Grid point 346 (154/424) ======================= q-point: (-0.20 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -6.333 -18.296 23.038) 30.094 4.057 ( -17.738 -1.237 -1.143) 17.818 4.576 ( -15.822 -5.388 -8.899) 18.936 5.142 ( -10.740 5.469 2.362) 12.282 5.927 ( 0.969 22.553 -10.003) 24.690 6.268 ( 0.292 16.151 1.646) 16.237 6.730 ( 11.772 4.583 22.956) 26.203 7.060 ( -5.800 -5.491 -17.094) 18.868 7.420 ( -3.108 4.314 -1.295) 5.472 7.826 ( -1.638 0.582 1.161) 2.091 8.248 ( -1.095 -1.070 -0.925) 1.789 8.611 ( -5.919 8.579 -5.986) 12.019 8.996 ( 3.533 10.323 2.815) 11.268 9.284 ( -1.538 -1.986 2.078) 3.260 9.607 ( -0.457 -0.425 -4.624) 4.666 9.868 ( 13.564 7.797 6.608) 16.983 56.355 ( -0.484 -0.404 -0.010) 0.631 56.385 ( 0.036 -0.492 -0.111) 0.505 ======================= Grid point 347 (155/424) ======================= q-point: (-0.13 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -0.313 -15.466 22.614) 27.399 3.910 ( -15.981 -6.778 5.400) 18.179 4.525 ( -14.522 -9.287 -7.145) 18.660 4.982 ( -7.769 3.714 0.185) 8.613 5.349 ( -2.768 35.417 -12.553) 37.678 6.032 ( 3.953 18.341 -0.605) 18.772 6.816 ( 9.693 6.680 17.768) 21.314 7.031 ( -8.838 -8.190 -21.741) 24.857 7.405 ( 1.654 -2.252 2.893) 4.022 7.785 ( -4.026 2.652 3.663) 6.055 8.288 ( -2.118 -5.802 -3.318) 7.011 8.424 ( -1.701 5.569 -7.747) 9.692 8.901 ( 4.128 7.681 5.805) 10.475 9.187 ( -4.241 7.220 -2.364) 8.701 9.645 ( 2.317 -3.357 0.585) 4.120 9.941 ( 10.045 3.254 7.207) 12.784 56.356 ( -0.376 -0.226 -0.068) 0.444 56.392 ( 0.053 -0.299 -0.045) 0.307 ======================= Grid point 348 (156/424) ======================= q-point: (-0.07 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -2.574 3.005 9.215) 10.029 3.947 ( -9.997 3.937 1.755) 10.886 4.554 ( -4.375 -2.591 2.574) 5.699 4.722 ( -7.157 2.962 -13.857) 15.875 4.968 ( 3.428 7.362 4.794) 9.430 5.830 ( 4.193 8.099 2.884) 9.565 6.754 ( -7.527 2.705 -12.696) 15.005 7.096 ( 3.852 -6.534 0.309) 7.591 7.470 ( -0.176 -1.486 0.933) 1.763 7.699 ( -2.356 3.827 7.708) 8.922 8.296 ( -2.469 -0.038 -3.499) 4.283 8.409 ( 1.807 -4.528 -9.078) 10.304 8.853 ( 2.515 4.712 4.497) 6.982 9.047 ( 0.062 5.211 1.851) 5.530 9.731 ( 0.444 -4.367 1.844) 4.761 9.969 ( 6.060 5.772 4.613) 9.556 56.355 ( -0.191 -0.007 -0.114) 0.223 56.396 ( 0.089 -0.083 0.029) 0.125 ======================= Grid point 357 (157/424) ======================= q-point: (-0.47 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -14.700 -0.000 -2.808) 14.966 3.958 ( 9.856 0.000 10.659) 14.517 4.040 ( 12.885 0.000 6.276) 14.332 5.202 ( -15.686 -0.000 -18.844) 24.518 6.199 ( -11.464 -0.000 1.134) 11.520 6.500 ( 10.555 0.000 -3.072) 10.993 7.110 ( -5.640 -0.000 18.468) 19.310 7.226 ( 8.744 0.000 9.997) 13.282 8.008 ( -0.985 -0.000 -5.998) 6.078 8.105 ( -6.908 -0.000 -1.085) 6.993 8.714 ( -0.002 -0.000 -8.473) 8.473 8.824 ( -14.081 -0.000 -0.705) 14.098 9.033 ( 5.822 0.000 -4.799) 7.545 9.196 ( -2.581 -0.000 7.901) 8.312 9.971 ( -2.686 -0.000 -6.039) 6.609 10.402 ( 17.181 0.000 0.059) 17.182 56.337 ( -0.174 -0.000 0.034) 0.177 56.345 ( -0.038 -0.000 -0.048) 0.061 ======================= Grid point 358 (158/424) ======================= q-point: (-0.40 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -16.873 7.690 -4.842) 19.165 3.933 ( 5.571 6.528 8.720) 12.234 4.476 ( 11.875 -22.227 10.653) 27.359 4.996 ( -15.117 -2.463 -16.266) 22.342 6.008 ( -17.227 4.262 -1.055) 17.777 6.605 ( 1.731 -4.310 -0.103) 4.646 6.993 ( -2.690 9.691 14.414) 17.576 7.412 ( 3.622 -4.640 6.574) 8.824 7.962 ( 2.523 3.133 -2.389) 4.678 8.003 ( -9.044 1.260 -2.824) 9.558 8.598 ( -7.160 10.314 1.339) 12.627 8.768 ( -3.198 -8.306 -5.669) 10.553 9.059 ( 1.370 0.044 -5.624) 5.789 9.213 ( 2.684 0.789 6.861) 7.409 9.876 ( -3.624 5.255 -6.252) 8.935 10.536 ( 19.104 7.249 -0.935) 20.454 56.336 ( -0.347 -0.213 0.041) 0.410 56.347 ( -0.075 -0.338 -0.063) 0.352 ======================= Grid point 359 (159/424) ======================= q-point: (-0.33 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -19.913 10.620 -3.453) 22.831 3.937 ( 0.664 0.289 8.097) 8.129 4.699 ( -19.046 -6.348 -13.311) 24.089 5.138 ( 7.463 -18.694 12.824) 23.866 5.756 ( -12.783 2.720 -4.956) 13.978 6.644 ( -11.621 -5.311 4.018) 13.394 6.880 ( 2.370 6.516 5.323) 8.741 7.387 ( -1.893 9.171 -2.155) 9.609 7.854 ( -7.573 3.886 -3.158) 9.079 7.997 ( 2.256 0.400 6.031) 6.451 8.403 ( 1.055 9.659 8.256) 12.751 8.838 ( -5.914 -6.858 -5.870) 10.792 9.052 ( -0.665 -1.150 -3.633) 3.869 9.262 ( 7.993 1.313 1.517) 8.241 9.704 ( -4.036 8.163 -5.472) 10.624 10.537 ( 17.700 15.144 -1.381) 23.335 56.337 ( -0.504 -0.389 0.044) 0.638 56.354 ( -0.091 -0.603 -0.092) 0.617 ======================= Grid point 360 (160/424) ======================= q-point: (-0.27 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -20.119 1.850 5.532) 20.948 3.963 ( -3.857 -1.581 8.153) 9.157 4.503 ( -22.881 -2.534 -13.162) 26.518 5.238 ( -19.970 -0.204 5.201) 20.637 5.896 ( 14.496 -14.835 -1.214) 20.777 6.576 ( -16.804 -2.791 6.503) 18.233 6.848 ( 1.068 1.069 -5.555) 5.757 7.142 ( -2.254 14.550 0.167) 14.724 7.705 ( -3.262 7.051 0.440) 7.781 7.954 ( 1.537 7.868 4.532) 9.210 8.334 ( 0.233 5.020 4.790) 6.943 8.819 ( -5.996 1.049 -5.348) 8.103 9.083 ( 0.833 -4.270 0.675) 4.403 9.323 ( 6.979 3.077 0.297) 7.633 9.538 ( -3.007 3.453 -5.949) 7.507 10.417 ( 16.614 19.877 1.537) 25.951 56.339 ( -0.580 -0.514 0.028) 0.775 56.364 ( -0.121 -0.729 -0.113) 0.748 ======================= Grid point 361 (161/424) ======================= q-point: (-0.20 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -12.849 -16.476 20.367) 29.179 3.909 ( -11.958 2.799 6.706) 13.993 4.288 ( -20.623 -4.973 -10.077) 23.486 5.042 ( -17.381 -0.288 1.532) 17.451 6.150 ( 5.375 2.816 -9.289) 11.095 6.397 ( -13.937 4.385 -1.016) 14.646 6.818 ( 0.291 -0.334 -5.806) 5.823 7.005 ( 1.423 1.872 7.278) 7.648 7.557 ( 1.748 10.971 4.581) 12.016 7.859 ( 0.710 5.369 2.099) 5.809 8.241 ( -1.985 4.475 -2.659) 5.571 8.647 ( -8.349 7.096 -6.522) 12.751 9.173 ( 3.420 0.067 1.015) 3.568 9.271 ( 0.743 5.801 5.033) 7.716 9.525 ( -1.085 -4.625 -8.656) 9.874 10.287 ( 17.594 17.958 9.163) 26.758 56.342 ( -0.558 -0.558 -0.009) 0.789 56.374 ( -0.154 -0.727 -0.107) 0.751 ======================= Grid point 362 (162/424) ======================= q-point: (-0.13 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -2.240 -27.781 28.841) 40.108 3.699 ( -18.528 1.701 4.314) 19.099 4.208 ( -14.284 -8.559 -4.628) 17.283 4.906 ( -12.956 -0.997 0.262) 12.997 5.783 ( -5.608 27.015 -15.252) 31.526 6.270 ( -3.746 5.250 -3.965) 7.570 6.780 ( -6.338 -0.417 -17.705) 18.810 7.071 ( 7.503 2.709 16.552) 18.374 7.450 ( 3.392 4.962 4.602) 7.570 7.806 ( -0.514 2.828 1.946) 3.471 8.174 ( -1.834 -1.168 -6.391) 6.751 8.439 ( -7.530 4.840 -5.801) 10.666 9.110 ( 4.221 10.315 4.851) 12.155 9.216 ( -3.851 2.189 -1.567) 4.699 9.577 ( -0.471 -5.219 -5.750) 7.780 10.255 ( 16.613 12.875 15.252) 25.969 56.346 ( -0.440 -0.507 -0.058) 0.674 56.383 ( -0.170 -0.633 -0.068) 0.659 ======================= Grid point 363 (163/424) ======================= q-point: (-0.07 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -4.583 -5.828 13.531) 15.429 3.705 ( -8.836 -19.749 14.358) 25.966 4.248 ( -8.762 -13.763 0.263) 16.318 4.767 ( -10.326 5.012 -4.885) 12.475 5.260 ( 0.321 23.212 -12.537) 26.383 6.085 ( 0.180 12.902 0.976) 12.940 6.591 ( -12.549 2.852 -23.037) 26.388 7.157 ( 7.764 0.590 10.671) 13.210 7.474 ( 2.673 -0.260 2.259) 3.509 7.750 ( -1.476 3.374 5.478) 6.601 8.202 ( -1.310 -5.642 -7.178) 9.224 8.324 ( -4.371 -0.299 -6.389) 7.747 8.992 ( 0.725 7.944 2.174) 8.268 9.135 ( 0.337 4.280 3.103) 5.298 9.643 ( -1.571 -5.485 -3.134) 6.510 10.248 ( 12.345 12.630 14.385) 22.778 56.349 ( -0.250 -0.371 -0.106) 0.460 56.391 ( -0.154 -0.482 -0.004) 0.506 ======================= Grid point 373 (164/424) ======================= q-point: (-0.40 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -17.828 -0.000 -7.256) 19.248 4.232 ( 8.908 0.000 16.428) 18.688 4.251 ( -3.397 -0.000 -1.181) 3.596 4.791 ( -7.381 -0.000 -8.725) 11.428 5.825 ( -22.634 -0.000 -2.376) 22.758 6.527 ( -12.826 -0.000 3.082) 13.191 7.096 ( -1.732 -0.000 11.070) 11.204 7.442 ( 6.481 0.000 8.299) 10.530 7.899 ( -9.968 -0.000 -3.244) 10.483 8.019 ( 4.312 0.000 -5.635) 7.096 8.571 ( -4.803 -0.000 -9.598) 10.733 8.699 ( -2.550 -0.000 8.740) 9.104 9.037 ( -2.325 -0.000 -4.060) 4.679 9.294 ( 7.933 0.000 4.432) 9.087 9.858 ( -4.603 -0.000 -6.281) 7.787 10.804 ( 21.133 0.000 -2.750) 21.311 56.331 ( -0.477 -0.000 0.049) 0.480 56.343 ( -0.158 -0.000 -0.064) 0.171 ======================= Grid point 374 (165/424) ======================= q-point: (-0.33 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -20.743 9.018 -8.174) 24.050 4.041 ( -7.366 4.454 0.544) 8.625 4.373 ( -10.435 -2.275 -3.074) 11.114 4.948 ( 3.672 -15.209 12.618) 20.100 5.589 ( -17.407 -1.585 -4.457) 18.038 6.362 ( -26.868 -4.947 1.587) 27.366 7.058 ( 3.008 7.625 8.066) 11.500 7.489 ( 1.197 4.650 0.957) 4.897 7.805 ( -7.063 0.259 -0.175) 7.069 8.047 ( 5.690 -0.284 -0.495) 5.719 8.537 ( -1.574 -0.944 -2.903) 3.434 8.686 ( -1.868 0.904 5.296) 5.688 9.008 ( -2.755 -1.342 -1.835) 3.572 9.382 ( 9.779 1.640 -0.214) 9.918 9.750 ( -4.947 4.789 -4.891) 8.446 10.932 ( 20.186 9.206 -3.974) 22.539 56.327 ( -0.606 -0.193 0.059) 0.639 56.344 ( -0.205 -0.377 -0.085) 0.438 ======================= Grid point 375 (166/424) ======================= q-point: (-0.27 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -23.922 7.903 -2.144) 25.285 3.955 ( -11.416 -5.221 -1.753) 12.675 4.217 ( -12.555 5.591 0.732) 13.763 5.006 ( -23.217 -2.109 4.391) 23.722 5.732 ( 8.287 -18.436 0.245) 20.215 6.192 ( -30.625 -11.270 -0.827) 32.644 6.979 ( 3.837 8.319 5.314) 10.591 7.316 ( -3.629 12.196 -4.994) 13.669 7.733 ( -3.934 1.773 1.851) 4.695 8.112 ( 5.831 2.368 1.614) 6.497 8.486 ( 1.893 9.179 7.326) 11.895 8.707 ( -3.482 -5.743 -2.463) 7.153 9.024 ( -1.009 -3.277 1.302) 3.667 9.423 ( 6.989 2.744 -7.576) 10.666 9.596 ( -2.943 7.237 -0.225) 7.816 10.906 ( 18.799 16.534 -1.908) 25.108 56.325 ( -0.668 -0.399 0.053) 0.780 56.350 ( -0.257 -0.649 -0.111) 0.707 ======================= Grid point 376 (167/424) ======================= q-point: (-0.20 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -19.643 -10.101 14.761) 26.566 3.902 ( -27.452 -5.788 -13.574) 31.166 3.978 ( -2.306 7.779 15.708) 17.679 4.809 ( -21.443 -3.462 0.948) 21.741 5.997 ( -16.838 -15.077 -10.985) 25.129 6.160 ( -8.887 -9.268 -1.486) 12.927 6.907 ( 4.474 7.015 2.352) 8.646 7.079 ( -2.415 7.345 -2.549) 8.141 7.679 ( -1.895 2.588 4.046) 5.163 8.075 ( 6.965 10.404 2.518) 12.771 8.347 ( 0.287 9.648 1.733) 9.807 8.666 ( -5.040 6.347 -3.344) 8.768 9.112 ( -0.155 -6.404 2.949) 7.052 9.412 ( -1.241 -2.531 -11.105) 11.457 9.470 ( 3.309 9.642 3.288) 10.712 10.804 ( 18.540 18.677 5.171) 26.820 56.327 ( -0.634 -0.572 0.028) 0.854 56.359 ( -0.315 -0.792 -0.126) 0.861 ======================= Grid point 377 (168/424) ======================= q-point: (-0.13 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -6.654 -30.719 30.439) 43.754 3.570 ( -24.986 4.629 -1.357) 25.448 3.974 ( -6.093 -4.064 6.471) 9.774 4.695 ( -16.524 -5.424 0.215) 17.393 5.971 ( -21.390 -5.476 -8.425) 23.633 6.019 ( -9.676 4.100 -23.031) 25.315 6.842 ( 4.813 7.757 -1.511) 9.253 7.105 ( 3.156 -6.247 5.525) 8.917 7.610 ( -1.498 6.461 5.769) 8.790 7.950 ( 5.516 11.984 2.247) 13.383 8.224 ( 3.412 6.543 -4.135) 8.459 8.437 ( -8.196 9.354 -2.030) 12.601 9.180 ( -2.848 -1.930 -0.683) 3.507 9.335 ( 2.014 10.150 3.727) 10.998 9.445 ( -0.931 -5.348 -9.065) 10.566 10.730 ( 18.096 16.754 13.747) 28.234 56.331 ( -0.504 -0.663 -0.010) 0.833 56.368 ( -0.360 -0.828 -0.112) 0.910 ======================= Grid point 378 (169/424) ======================= q-point: (-0.07 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 0.522 -26.362 27.028) 37.759 3.332 ( -18.514 -10.003 6.376) 21.988 4.021 ( -3.953 -6.168 7.932) 10.798 4.626 ( -13.231 -4.799 -3.005) 14.392 5.551 ( -6.406 20.471 -20.877) 29.932 5.976 ( -17.642 -12.347 -14.128) 25.754 6.679 ( 2.168 16.961 -6.848) 18.419 7.236 ( 2.663 -2.087 4.741) 5.825 7.506 ( -1.880 2.495 4.243) 5.269 7.857 ( 3.512 6.618 2.364) 7.856 8.165 ( 3.913 5.178 -3.268) 7.267 8.262 ( -5.668 0.632 -2.110) 6.081 9.096 ( -3.773 5.732 -2.406) 7.272 9.241 ( 2.858 5.984 4.666) 8.109 9.501 ( -3.367 -6.615 -6.812) 10.075 10.682 ( 15.019 16.497 16.812) 27.935 56.338 ( -0.300 -0.646 -0.055) 0.715 56.377 ( -0.374 -0.785 -0.064) 0.872 ======================= Grid point 389 (170/424) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -20.897 -0.000 -10.643) 23.451 3.752 ( -28.841 -0.000 -23.180) 37.002 4.501 ( 6.179 0.000 19.816) 20.757 4.843 ( -4.646 -0.000 12.818) 13.634 5.379 ( -12.216 -0.000 -3.788) 12.790 5.982 ( -37.525 -0.000 0.463) 37.528 7.182 ( 2.744 0.000 6.842) 7.371 7.571 ( 2.469 0.000 3.400) 4.202 7.735 ( -5.642 -0.000 0.979) 5.727 8.092 ( 5.213 0.000 -3.458) 6.255 8.425 ( -4.164 -0.000 -8.600) 9.555 8.783 ( 3.461 0.000 14.261) 14.675 8.950 ( -4.047 -0.000 -1.113) 4.198 9.499 ( 10.479 0.000 -4.339) 11.342 9.729 ( -4.208 -0.000 -2.635) 4.964 11.199 ( 19.820 0.000 -6.742) 20.935 56.319 ( -0.722 -0.000 0.083) 0.727 56.338 ( -0.265 -0.000 -0.102) 0.284 ======================= Grid point 390 (171/424) ======================= q-point: (-0.27 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -24.717 10.685 -9.140) 28.437 3.489 ( -28.996 -12.669 -22.459) 38.803 4.452 ( 1.874 14.662 19.280) 24.294 4.739 ( -26.017 -1.015 4.884) 26.491 5.493 ( -0.732 -14.844 0.165) 14.863 5.667 ( -31.890 -10.752 2.081) 33.718 7.162 ( 2.139 6.551 5.699) 8.942 7.462 ( -2.650 11.829 -3.721) 12.681 7.712 ( -3.442 -0.673 2.185) 4.132 8.154 ( 4.200 -1.729 -2.662) 5.264 8.465 ( -1.501 -9.875 -2.772) 10.366 8.772 ( 3.174 8.698 10.953) 14.342 8.960 ( -1.636 -3.540 3.876) 5.499 9.522 ( 3.822 5.128 -10.504) 12.298 9.683 ( 2.644 3.205 1.560) 4.438 11.298 ( 18.506 9.052 -6.840) 21.707 56.313 ( -0.781 -0.225 0.095) 0.818 56.338 ( -0.316 -0.375 -0.128) 0.507 ======================= Grid point 391 (172/424) ======================= q-point: (-0.20 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -25.429 -0.089 5.867) 26.097 3.386 ( -27.947 -15.379 -18.792) 37.023 4.199 ( -10.491 14.498 12.813) 22.010 4.549 ( -16.951 -2.166 8.916) 19.275 5.405 ( -35.715 -15.341 -6.872) 39.473 5.918 ( 1.979 -16.427 -0.090) 16.546 7.083 ( 2.663 6.790 4.037) 8.336 7.191 ( -3.841 12.825 -5.617) 14.518 7.688 ( -2.254 0.598 2.665) 3.541 8.183 ( 0.963 -0.122 -5.165) 5.255 8.543 ( 0.066 5.651 3.067) 6.430 8.733 ( 5.018 2.839 8.316) 10.119 9.019 ( -1.534 -4.009 3.597) 5.600 9.389 ( -0.888 6.448 -9.463) 11.485 9.658 ( 5.696 6.705 -0.259) 8.802 11.270 ( 17.610 14.336 -1.673) 22.769 56.311 ( -0.740 -0.481 0.087) 0.887 56.343 ( -0.382 -0.645 -0.155) 0.766 ======================= Grid point 392 (173/424) ======================= q-point: (-0.13 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -12.084 -27.669 28.998) 41.863 3.236 ( -30.241 -7.214 -10.853) 32.929 3.972 ( -8.957 2.072 6.229) 11.105 4.476 ( -10.895 -1.189 12.264) 16.447 5.332 ( -32.648 -21.834 -11.277) 40.863 5.994 ( -8.189 2.144 -17.745) 19.661 7.018 ( 2.970 6.719 0.590) 7.370 7.064 ( 2.907 -1.352 3.089) 4.452 7.660 ( -1.815 1.738 2.523) 3.561 8.143 ( -1.708 3.865 -4.791) 6.388 8.377 ( 0.766 12.613 2.502) 12.882 8.661 ( 4.875 15.941 5.623) 17.593 9.080 ( -3.435 -5.988 -2.539) 7.355 9.306 ( -1.943 -0.332 -5.496) 5.839 9.570 ( 4.397 9.634 -0.599) 10.607 11.211 ( 17.117 15.265 7.355) 24.086 56.314 ( -0.596 -0.704 0.066) 0.924 56.350 ( -0.450 -0.809 -0.167) 0.941 ======================= Grid point 393 (174/424) ======================= q-point: (-0.07 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.499 -40.362 36.015) 54.152 2.994 ( -28.183 -5.298 -2.655) 28.800 3.980 ( -0.861 -5.568 6.597) 8.676 4.409 ( -11.454 -0.595 7.092) 13.485 5.375 ( -27.509 -25.131 -13.882) 39.762 5.665 ( -11.092 13.447 -26.836) 32.000 6.954 ( 6.520 9.978 -1.628) 12.030 7.187 ( 2.565 -6.326 3.070) 7.485 7.568 ( -4.431 7.303 1.842) 8.739 7.984 ( -2.504 7.376 -2.943) 8.327 8.245 ( -2.498 4.366 0.825) 5.097 8.448 ( 9.191 17.424 4.664) 20.244 9.099 ( -3.125 -0.418 -3.413) 4.646 9.281 ( -4.812 -2.830 -5.006) 7.498 9.458 ( 2.800 7.716 -0.396) 8.218 11.154 ( 14.847 16.236 13.201) 25.658 56.322 ( -0.366 -0.827 0.035) 0.904 56.359 ( -0.498 -0.892 -0.143) 1.032 ======================= Grid point 405 (175/424) ======================= q-point: (-0.27 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -24.098 -0.000 -13.066) 27.412 2.956 ( -33.854 -0.000 -26.212) 42.815 4.467 ( -29.110 -0.000 4.090) 29.396 4.586 ( -18.336 -0.000 13.395) 22.708 5.234 ( -25.474 -0.000 7.013) 26.422 5.428 ( 8.406 0.000 5.035) 9.798 7.233 ( -0.878 -0.000 1.922) 2.113 7.586 ( -1.291 -0.000 -1.260) 1.804 7.642 ( -4.435 -0.000 0.003) 4.435 8.172 ( 3.074 0.000 -1.863) 3.595 8.334 ( -1.423 -0.000 0.277) 1.450 8.873 ( -3.401 -0.000 1.391) 3.674 8.972 ( 5.746 0.000 15.105) 16.161 9.573 ( 1.958 0.000 -6.597) 6.881 9.764 ( 7.847 0.000 -2.719) 8.304 11.529 ( 17.253 0.000 -10.416) 20.154 56.303 ( -0.864 -0.000 0.130) 0.874 56.331 ( -0.333 -0.000 -0.151) 0.365 ======================= Grid point 406 (176/424) ======================= q-point: (-0.20 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -28.085 9.692 -5.427) 30.202 2.728 ( -31.150 -19.536 -24.627) 44.254 4.093 ( -34.406 5.322 0.211) 34.816 4.389 ( -31.221 -9.270 9.489) 33.922 5.030 ( -8.257 7.591 11.341) 15.950 5.690 ( 4.525 -14.733 2.608) 15.632 7.172 ( -2.773 4.557 -2.920) 6.082 7.386 ( -2.092 13.655 -0.251) 13.817 7.661 ( -2.786 -2.156 0.412) 3.547 8.157 ( -1.192 0.749 -4.293) 4.518 8.461 ( -1.081 -10.153 4.962) 11.352 8.853 ( 0.191 -0.079 2.993) 3.000 9.037 ( 3.870 3.642 12.916) 13.966 9.525 ( 4.633 7.797 -3.002) 9.554 9.801 ( 7.170 3.924 -5.936) 10.102 11.604 ( 15.947 7.224 -9.081) 19.722 56.297 ( -0.846 -0.299 0.144) 0.909 56.330 ( -0.364 -0.336 -0.179) 0.527 ======================= Grid point 407 (177/424) ======================= q-point: (-0.13 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -18.615 -19.045 23.578) 35.569 2.683 ( -29.871 -17.662 -17.710) 38.960 3.719 ( -30.919 -4.756 -5.487) 31.761 4.327 ( -29.135 -17.325 8.480) 34.942 4.878 ( -4.333 7.575 12.127) 14.940 5.852 ( -5.186 -4.077 -12.806) 14.406 7.051 ( -1.897 2.752 -3.416) 4.779 7.211 ( 2.650 8.336 4.945) 10.048 7.658 ( -1.957 -0.476 0.547) 2.087 8.109 ( -4.458 0.385 -4.862) 6.608 8.519 ( -4.743 2.064 3.633) 6.321 8.896 ( 2.776 -1.023 2.013) 3.579 9.003 ( -0.011 6.792 6.302) 9.265 9.419 ( 8.636 11.420 -2.538) 14.541 9.747 ( 3.781 7.409 -3.885) 9.181 11.598 ( 15.122 10.357 -1.345) 18.379 56.297 ( -0.714 -0.630 0.140) 0.963 56.333 ( -0.413 -0.586 -0.206) 0.746 ======================= Grid point 408 (178/424) ======================= q-point: (-0.07 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.783 -42.693 39.109) 57.926 2.547 ( -32.054 -10.174 -5.810) 34.128 3.644 ( -18.241 -19.683 -13.156) 29.887 4.389 ( -21.439 -16.897 11.376) 29.573 4.761 ( -6.935 2.623 6.373) 9.777 5.638 ( -12.353 8.640 -27.351) 31.230 7.072 ( 3.739 -2.236 0.399) 4.374 7.184 ( 4.759 1.519 4.714) 6.869 7.626 ( -2.458 3.080 -0.333) 3.955 8.002 ( -7.903 3.604 -3.520) 9.372 8.360 ( -4.820 9.717 2.389) 11.107 8.832 ( 5.604 15.544 6.025) 17.587 8.965 ( -3.942 -6.603 -5.740) 9.597 9.316 ( 6.024 10.332 -3.719) 12.525 9.631 ( 1.725 9.065 -0.429) 9.238 11.567 ( 13.143 12.692 6.253) 19.311 56.304 ( -0.479 -0.911 0.132) 1.038 56.339 ( -0.464 -0.758 -0.209) 0.913 ======================= Grid point 421 (179/424) ======================= q-point: (-0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -26.508 -0.000 -11.957) 29.080 2.079 ( -36.305 -0.000 -26.421) 44.901 3.763 ( -54.132 -0.000 3.332) 54.234 3.871 ( -29.821 -0.000 1.998) 29.888 5.194 ( 2.260 0.000 16.517) 16.671 5.622 ( 7.283 0.000 4.401) 8.509 7.160 ( -4.501 -0.000 -6.934) 8.267 7.521 ( -3.210 -0.000 -3.703) 4.901 7.556 ( -3.708 -0.000 1.065) 3.858 8.150 ( -4.291 -0.000 -2.985) 5.227 8.384 ( 2.292 0.000 13.203) 13.401 8.827 ( -2.365 -0.000 2.355) 3.337 9.171 ( 5.155 0.000 12.969) 13.957 9.664 ( 8.306 0.000 5.822) 10.143 9.889 ( 7.962 0.000 -12.973) 15.222 11.780 ( 14.158 0.000 -13.839) 19.798 56.286 ( -0.868 -0.000 0.180) 0.887 56.323 ( -0.334 -0.000 -0.199) 0.389 ======================= Grid point 422 (180/424) ======================= q-point: (-0.13 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -25.469 -2.763 11.574) 28.111 1.943 ( -30.973 -26.654 -24.910) 47.856 3.220 ( -50.806 -3.631 -0.138) 50.936 3.698 ( -31.518 -14.056 2.445) 34.597 5.164 ( 5.042 10.867 18.104) 21.709 5.734 ( 0.587 -2.245 -5.644) 6.102 7.057 ( -3.576 2.514 -6.914) 8.180 7.375 ( -0.788 8.065 3.219) 8.719 7.592 ( -3.438 -3.961 -1.981) 5.607 8.063 ( -6.129 1.515 -3.420) 7.181 8.466 ( -2.381 -0.727 12.201) 12.453 8.847 ( -1.359 -3.187 0.665) 3.528 9.195 ( 3.774 6.842 10.554) 13.131 9.729 ( 12.971 8.292 7.977) 17.339 9.867 ( 4.521 5.536 -13.293) 15.093 11.840 ( 12.790 3.961 -10.814) 17.211 56.281 ( -0.776 -0.389 0.193) 0.889 56.322 ( -0.326 -0.282 -0.221) 0.484 ======================= Grid point 423 (181/424) ======================= q-point: (-0.07 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.805 -41.658 41.167) 58.572 1.965 ( -31.418 -18.755 -12.055) 38.524 2.943 ( -38.980 -23.881 -13.986) 47.805 3.700 ( -28.074 -22.853 2.184) 36.266 5.094 ( 8.722 14.125 23.212) 28.537 5.572 ( -10.456 9.075 -25.095) 28.661 7.052 ( 2.653 -3.724 0.980) 4.676 7.289 ( 2.101 4.319 4.382) 6.502 7.604 ( -2.711 -2.160 -2.681) 4.382 7.954 ( -8.239 2.184 -3.507) 9.217 8.392 ( -10.290 4.669 6.606) 13.089 8.860 ( -1.594 -1.317 -3.470) 4.039 9.098 ( 2.240 11.336 6.615) 13.315 9.666 ( 14.267 16.802 -7.394) 23.249 9.772 ( 0.769 6.967 4.066) 8.103 11.859 ( 10.941 6.923 -2.430) 13.173 56.284 ( -0.578 -0.809 0.197) 1.014 56.324 ( -0.327 -0.497 -0.229) 0.637 ======================= Grid point 437 (182/424) ======================= q-point: (-0.13 -0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -24.753 -0.000 2.838) 24.915 1.176 ( -37.075 -0.000 -22.875) 43.564 2.618 ( -59.358 -0.000 6.942) 59.762 3.296 ( -26.612 -0.000 0.692) 26.621 5.311 ( 0.376 0.000 8.672) 8.680 5.774 ( 6.003 0.000 0.357) 6.014 7.004 ( -4.680 -0.000 -9.423) 10.521 7.428 ( -3.490 -0.000 -3.039) 4.628 7.511 ( -2.174 -0.000 3.377) 4.016 7.989 ( -8.010 -0.000 -4.167) 9.029 8.576 ( 6.113 0.000 22.848) 23.652 8.793 ( -2.262 -0.000 1.763) 2.868 9.318 ( 2.653 0.000 8.728) 9.122 9.890 ( 1.645 0.000 0.959) 1.904 9.995 ( 16.285 0.000 -4.690) 16.947 11.939 ( 10.008 0.000 -17.152) 19.859 56.270 ( -0.721 -0.000 0.221) 0.754 56.316 ( -0.255 -0.000 -0.234) 0.346 ======================= Grid point 438 (183/424) ======================= q-point: (-0.07 -0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -1.687 -35.241 41.010) 54.098 1.190 ( -28.362 -32.251 -19.329) 47.097 2.115 ( -56.211 -11.941 3.726) 57.586 3.150 ( -23.049 -13.236 0.350) 26.582 5.308 ( -0.887 1.259 4.214) 4.486 5.687 ( 1.458 15.710 -7.643) 17.531 6.992 ( 0.015 -5.572 -2.191) 5.987 7.368 ( -1.682 2.722 1.738) 3.642 7.516 ( -2.646 -2.298 -0.114) 3.506 7.889 ( -7.138 1.229 -4.261) 8.404 8.494 ( -5.582 16.382 16.062) 23.612 8.834 ( 0.649 -1.391 0.978) 1.820 9.293 ( 0.897 7.620 5.240) 9.291 9.824 ( -0.771 5.087 -12.417) 13.440 10.088 ( 14.873 10.430 10.520) 20.992 11.992 ( 8.221 -0.365 -12.130) 14.658 56.268 ( -0.565 -0.472 0.232) 0.772 56.315 ( -0.198 -0.239 -0.234) 0.389 ======================= Grid point 453 (184/424) ======================= q-point: (-0.07 -0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -19.274 -0.000 10.816) 22.101 0.708 ( -4.645 -0.000 44.232) 44.476 1.468 ( -57.503 -0.000 16.661) 59.868 2.813 ( -19.417 -0.000 -2.239) 19.545 5.276 ( -4.809 -0.000 -6.155) 7.811 5.849 ( 2.614 0.000 -7.520) 7.961 6.910 ( -0.341 -0.000 -0.349) 0.488 7.361 ( -2.377 -0.000 1.926) 3.059 7.496 ( -1.435 -0.000 3.604) 3.879 7.831 ( -3.602 -0.000 -4.393) 5.681 8.755 ( -2.068 -0.000 0.431) 2.113 8.852 ( 5.298 0.000 8.051) 9.638 9.369 ( -1.386 -0.000 2.414) 2.784 9.822 ( -1.621 -0.000 -16.129) 16.210 10.367 ( 13.692 0.000 15.200) 20.457 11.971 ( 2.629 0.000 -14.929) 15.159 56.260 ( -0.437 -0.000 0.248) 0.503 56.311 ( -0.106 -0.000 -0.254) 0.275 ======================= Grid point 454 (185/424) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -11.737 -0.000 19.507) 22.766 1.579 ( 24.718 0.000 17.438) 30.250 2.397 ( 11.135 0.000 55.551) 56.655 2.488 ( -4.038 -0.000 11.961) 12.625 4.560 ( -11.213 -0.000 -29.466) 31.527 5.287 ( -5.819 -0.000 -30.786) 31.332 7.214 ( 12.015 0.000 5.641) 13.273 7.438 ( -3.894 -0.000 2.893) 4.851 7.612 ( 0.068 0.000 5.993) 5.993 7.798 ( 9.164 0.000 -1.493) 9.285 8.365 ( -17.231 -0.000 3.864) 17.659 8.675 ( -1.694 -0.000 -3.208) 3.628 9.245 ( -6.592 -0.000 -3.618) 7.520 9.350 ( -0.269 -0.000 -12.420) 12.423 11.072 ( 5.609 0.000 18.484) 19.316 11.897 ( 1.676 0.000 -7.992) 8.166 56.265 ( -0.099 -0.000 0.523) 0.533 56.301 ( 0.133 0.000 -0.479) 0.497 ======================= Grid point 455 (186/424) ======================= q-point: ( 0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 14.759 -3.969 19.258) 24.585 1.766 ( 20.315 20.569 37.721) 47.525 2.236 ( 6.650 -4.503 -2.565) 8.431 3.297 ( 10.209 -38.578 36.272) 53.927 4.170 ( -5.891 16.377 -28.339) 33.257 5.344 ( -5.816 -21.361 -27.330) 35.172 7.285 ( 2.885 5.797 4.671) 7.984 7.411 ( 1.896 -0.880 1.036) 2.333 7.688 ( 5.652 -3.176 1.902) 6.756 7.887 ( 10.890 1.617 -0.785) 11.037 8.257 ( -6.482 -2.004 13.575) 15.176 8.753 ( -3.200 -10.420 -4.277) 11.709 9.101 ( -7.431 6.920 -4.195) 10.987 9.287 ( -0.067 3.793 -10.185) 10.868 11.021 ( 0.956 15.577 17.947) 23.783 11.740 ( -3.967 14.268 -11.421) 18.702 56.270 ( 0.035 -0.483 0.503) 0.699 56.305 ( 0.250 -0.408 -0.466) 0.668 ======================= Grid point 456 (187/424) ======================= q-point: ( 0.13 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 18.277 22.852 37.107) 47.256 1.819 ( 15.126 -7.556 23.148) 28.666 2.634 ( 19.006 -22.678 -14.287) 32.858 3.405 ( -7.556 14.085 -30.044) 34.031 4.497 ( 17.661 -36.913 32.735) 52.403 5.620 ( -4.590 -26.710 -22.739) 35.377 7.180 ( -2.027 7.232 3.949) 8.486 7.456 ( -0.836 -1.901 0.075) 2.078 7.805 ( 9.303 -1.245 -0.496) 9.399 7.956 ( 9.507 2.728 -1.209) 9.965 8.305 ( 0.897 2.817 16.635) 16.896 8.852 ( -8.581 8.847 -8.563) 15.008 8.886 ( -3.015 -8.564 -2.237) 9.350 9.192 ( 2.140 4.305 -6.559) 8.132 10.742 ( -1.046 23.078 17.626) 29.058 11.314 ( -7.913 24.224 -16.180) 30.186 56.283 ( 0.097 -0.807 0.416) 0.913 56.316 ( 0.382 -0.702 -0.371) 0.882 ======================= Grid point 457 (188/424) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 10.064 10.692 34.376) 37.381 2.207 ( 14.868 -9.138 1.619) 17.526 3.044 ( 13.476 -4.516 -14.338) 20.188 3.304 ( 12.046 -20.587 -15.134) 28.248 5.364 ( 15.434 -34.087 29.348) 47.555 5.955 ( -3.284 -25.410 -18.481) 31.591 7.042 ( -2.911 7.990 2.187) 8.781 7.445 ( -5.474 -1.239 -2.056) 5.977 7.905 ( 8.076 1.284 -2.167) 8.460 7.940 ( -0.369 6.800 0.340) 6.819 8.216 ( 9.203 16.447 14.243) 23.624 8.555 ( -7.684 11.849 -7.570) 16.023 9.003 ( -1.716 -8.356 -3.999) 9.421 9.183 ( 3.163 0.305 -2.689) 4.163 10.413 ( 0.245 21.541 17.429) 27.710 10.737 ( -9.130 27.579 -18.827) 34.618 56.300 ( 0.102 -0.937 0.260) 0.978 56.333 ( 0.503 -0.898 -0.225) 1.054 ======================= Grid point 458 (189/424) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 6.460 -13.485 18.183) 23.541 2.445 ( 12.217 -9.732 -6.451) 16.899 3.343 ( 15.616 -15.201 2.592) 21.947 3.832 ( 17.646 -23.866 -8.939) 30.998 6.039 ( 8.712 -23.326 17.708) 30.554 6.210 ( -2.052 -10.939 -9.660) 14.737 6.864 ( -6.097 7.044 -6.203) 11.193 7.371 ( -5.750 2.995 -4.384) 7.826 7.677 ( -6.460 13.299 4.802) 15.545 7.926 ( 1.414 7.675 5.166) 9.359 8.117 ( 15.063 12.534 -3.935) 19.987 8.371 ( -1.635 1.476 2.591) 3.401 9.095 ( 0.635 -4.574 -2.361) 5.187 9.144 ( 0.024 5.963 -4.899) 7.718 10.059 ( -5.896 23.718 -14.244) 28.288 10.302 ( 1.020 13.126 14.579) 19.644 56.317 ( 0.095 -0.918 0.102) 0.929 56.354 ( 0.552 -0.949 -0.105) 1.103 ======================= Grid point 459 (190/424) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 3.881 -28.802 4.906) 29.473 2.813 ( 14.418 -17.661 3.833) 23.119 3.764 ( 12.416 -16.102 2.662) 20.506 4.345 ( 15.013 -20.147 -2.883) 25.290 6.082 ( -3.039 21.281 -0.839) 21.513 6.355 ( -2.318 -5.707 3.752) 7.213 6.689 ( -8.857 1.868 -16.315) 18.658 7.200 ( -1.142 7.733 -3.028) 8.382 7.569 ( -4.746 -2.454 12.189) 13.309 7.773 ( 5.689 11.475 -0.115) 12.808 8.118 ( 5.772 0.761 -4.738) 7.506 8.400 ( 2.543 -0.399 1.511) 2.984 8.997 ( -1.143 7.494 -3.261) 8.252 9.141 ( 4.712 2.898 0.717) 5.578 9.651 ( -4.917 9.161 -15.604) 18.750 10.232 ( 2.773 7.880 19.424) 21.145 56.332 ( 0.083 -0.778 -0.023) 0.783 56.374 ( 0.504 -0.828 -0.026) 0.970 ======================= Grid point 460 (191/424) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 0.811 -34.964 -2.407) 35.056 3.249 ( 11.860 -13.972 9.771) 20.770 4.115 ( 7.865 -13.681 -2.819) 16.030 4.767 ( 9.861 -15.082 3.206) 18.302 5.586 ( -4.625 29.692 -0.065) 30.050 6.240 ( -6.962 9.015 -7.512) 13.644 6.477 ( -5.822 9.731 -8.211) 14.000 7.156 ( -1.630 -3.332 -3.823) 5.327 7.564 ( 2.719 6.557 5.700) 9.103 7.764 ( 1.454 -3.773 5.419) 6.761 8.154 ( 2.900 -1.061 -4.456) 5.421 8.369 ( -0.371 5.229 -9.392) 10.756 8.915 ( 0.641 1.883 3.603) 4.116 9.117 ( 6.295 5.025 3.035) 8.608 9.620 ( 0.920 -9.500 -5.218) 10.877 10.160 ( 0.186 9.496 14.790) 17.577 56.343 ( 0.055 -0.523 -0.112) 0.538 56.390 ( 0.365 -0.551 0.032) 0.661 ======================= Grid point 461 (192/424) ======================= q-point: ( 0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -4.238 -32.414 -4.323) 32.974 3.524 ( 6.641 -5.515 7.826) 11.652 4.310 ( 2.201 -3.750 -10.083) 10.981 4.916 ( -0.893 9.058 1.339) 9.200 5.249 ( 3.941 5.100 9.167) 11.206 6.003 ( -8.253 4.606 -16.695) 19.185 6.251 ( 0.114 11.013 5.748) 12.423 7.202 ( -2.013 -5.015 -1.951) 5.745 7.510 ( 3.183 4.404 2.991) 6.203 7.848 ( -0.244 -2.600 5.163) 5.786 8.180 ( 1.243 0.090 -6.983) 7.093 8.193 ( -2.235 7.299 -12.632) 14.759 8.938 ( 1.244 -0.912 4.864) 5.103 9.155 ( 4.903 -0.208 4.550) 6.692 9.855 ( 2.737 -11.062 5.063) 12.470 10.030 ( 0.294 5.665 6.459) 8.597 56.349 ( 0.018 -0.190 -0.159) 0.249 56.398 ( 0.147 -0.151 0.070) 0.222 ======================= Grid point 462 (193/424) ======================= q-point: (-0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -10.334 -10.466 5.367) 15.657 3.676 ( 0.872 -9.108 -7.250) 11.674 4.199 ( -2.857 8.479 -10.364) 13.692 4.830 ( 3.667 0.244 6.166) 7.178 5.216 ( 3.069 12.672 8.825) 15.744 5.814 ( -10.975 -0.953 -20.967) 23.685 6.229 ( 3.137 -0.518 14.235) 14.586 7.249 ( -2.338 -3.527 -1.206) 4.400 7.508 ( 1.325 0.114 1.321) 1.875 7.877 ( -0.754 -0.710 4.496) 4.614 8.012 ( -0.532 4.202 -13.084) 13.753 8.195 ( 1.044 -0.324 -3.980) 4.128 8.978 ( 0.734 -1.000 3.080) 3.321 9.218 ( 2.316 -1.219 3.551) 4.411 9.748 ( -5.917 11.690 4.330) 13.799 10.314 ( 8.619 -20.070 4.415) 22.284 56.348 ( -0.012 0.157 -0.158) 0.223 56.397 ( -0.117 0.308 0.080) 0.339 ======================= Grid point 463 (194/424) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -14.350 6.387 8.938) 18.072 3.714 ( -7.244 -2.878 -16.641) 18.377 4.072 ( 0.462 1.619 -4.333) 4.648 4.881 ( 5.523 19.965 17.443) 27.080 5.006 ( -0.730 1.169 -2.328) 2.706 5.689 ( -9.975 1.119 -10.733) 14.695 6.331 ( -2.360 -10.089 4.487) 11.291 7.255 ( -2.084 -0.668 -2.100) 3.033 7.506 ( -3.287 -1.193 0.375) 3.517 7.903 ( 3.199 1.035 1.684) 3.761 8.034 ( 0.471 -9.810 -1.613) 9.953 8.201 ( 4.472 0.384 -3.696) 5.814 8.998 ( -0.653 -0.419 1.319) 1.531 9.267 ( 0.418 -2.277 1.140) 2.581 9.497 ( -7.555 10.423 -0.452) 12.881 10.752 ( 8.347 -20.493 3.269) 22.368 56.343 ( -0.024 0.462 -0.116) 0.477 56.386 ( -0.373 0.728 0.070) 0.821 ======================= Grid point 464 (195/424) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -18.855 13.738 6.990) 24.354 3.546 ( -6.855 8.967 -12.283) 16.682 4.104 ( -2.695 -9.137 -15.420) 18.125 4.418 ( -4.466 34.770 7.598) 35.870 5.116 ( 3.437 -4.797 11.265) 12.717 5.361 ( -14.270 21.380 1.496) 25.748 6.644 ( 0.630 -27.031 -0.861) 27.053 7.225 ( -0.171 1.708 -2.929) 3.395 7.514 ( -3.644 -3.381 4.274) 6.556 7.918 ( 1.819 0.886 -0.321) 2.048 8.148 ( -4.516 -5.936 0.246) 7.462 8.380 ( 13.544 -11.172 -1.049) 17.588 8.988 ( -1.807 -0.131 -0.813) 1.986 9.197 ( -7.520 7.898 -4.213) 11.691 9.391 ( -1.515 -6.033 1.480) 6.394 11.149 ( 6.586 -17.936 -1.487) 19.165 56.333 ( -0.024 0.701 -0.038) 0.702 56.367 ( -0.554 0.995 0.045) 1.139 ======================= Grid point 465 (196/424) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -20.805 19.661 2.893) 28.770 3.213 ( -8.109 18.970 -7.703) 22.022 3.734 ( -12.757 38.770 3.610) 40.974 4.196 ( -9.666 -17.644 -33.142) 38.771 4.748 ( -15.297 31.921 14.335) 38.190 5.352 ( 9.877 -6.033 22.015) 24.872 7.081 ( 3.442 -19.262 1.755) 19.646 7.193 ( 0.979 0.345 -4.386) 4.507 7.553 ( -3.036 -3.150 5.971) 7.403 7.886 ( -4.458 1.521 -0.707) 4.763 8.223 ( -2.514 -7.350 0.919) 7.823 8.712 ( 11.895 -11.635 -1.851) 16.742 8.939 ( -1.992 4.424 -2.329) 5.382 9.061 ( -4.863 -5.965 -3.996) 8.672 9.540 ( 0.038 -12.050 3.130) 12.450 11.451 ( 4.007 -13.878 -8.029) 16.526 56.319 ( -0.070 0.909 0.099) 0.917 56.345 ( -0.564 0.992 -0.027) 1.142 ======================= Grid point 466 (197/424) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -19.243 27.471 -4.791) 33.881 2.681 ( -27.271 22.649 -5.666) 35.899 3.014 ( -6.922 35.517 12.282) 38.213 4.081 ( -9.112 31.703 11.477) 34.926 4.328 ( -13.068 -17.692 -31.194) 38.169 5.617 ( 10.832 -3.214 22.971) 25.599 7.154 ( 3.555 3.768 -2.709) 5.846 7.340 ( 1.202 -6.614 -0.449) 6.737 7.582 ( -0.470 -0.755 5.160) 5.236 7.790 ( -9.957 -0.329 -0.596) 9.980 8.300 ( -6.165 -6.074 3.840) 9.468 8.867 ( 3.631 0.629 1.702) 4.059 8.964 ( 0.113 -9.600 -0.439) 9.611 9.232 ( 3.304 -14.192 -11.774) 18.734 9.832 ( 4.868 -19.224 10.129) 22.268 11.636 ( 1.500 -9.542 -13.917) 16.941 56.302 ( -0.250 1.063 0.303) 1.134 56.326 ( -0.316 0.737 -0.184) 0.822 ======================= Grid point 467 (198/424) ======================= q-point: (-0.13 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -14.471 26.615 -0.025) 30.294 1.993 ( -39.278 16.614 10.924) 44.024 2.505 ( -0.473 28.194 12.089) 30.680 3.488 ( -3.932 37.212 23.409) 44.138 4.438 ( -13.181 -22.830 -37.589) 45.912 5.742 ( 5.451 5.536 6.884) 10.381 7.099 ( 3.120 5.233 -2.425) 6.557 7.394 ( 0.579 -0.989 3.071) 3.278 7.607 ( 1.882 0.398 5.055) 5.409 7.726 ( -7.410 -2.770 0.082) 7.912 8.340 ( -8.083 -7.009 4.940) 11.784 8.911 ( 2.173 0.117 3.760) 4.345 9.121 ( -2.115 -10.986 -3.065) 11.600 9.397 ( 0.241 -7.530 -15.018) 16.802 10.305 ( 9.865 -22.475 16.631) 29.648 11.730 ( 0.753 -6.748 -14.895) 16.370 56.283 ( -0.343 0.916 0.440) 1.072 56.313 ( -0.063 0.522 -0.329) 0.621 ======================= Grid point 468 (199/424) ======================= q-point: (-0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 2.102 -9.717 31.127) 32.676 1.470 ( -24.722 9.775 20.594) 33.628 2.186 ( -0.303 11.969 17.024) 20.813 2.936 ( -0.712 36.313 26.525) 44.975 4.563 ( -12.231 -20.242 -32.859) 40.485 5.569 ( -2.547 13.742 -17.412) 22.327 7.096 ( 7.715 1.504 5.014) 9.323 7.430 ( -1.974 -2.381 5.035) 5.910 7.623 ( 0.827 2.063 5.844) 6.253 7.727 ( 1.518 -1.847 -1.881) 3.042 8.397 ( -10.995 -9.917 2.621) 15.037 8.851 ( -3.560 8.635 -2.153) 9.585 9.241 ( -4.036 -7.988 -3.875) 9.753 9.399 ( -2.109 -0.865 -15.706) 15.870 10.792 ( 9.783 -16.164 19.612) 27.233 11.819 ( 2.903 -6.586 -9.155) 11.646 56.269 ( -0.259 0.515 0.502) 0.765 56.305 ( 0.052 0.343 -0.444) 0.564 ======================= Grid point 470 (200/424) ======================= q-point: ( 0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 30.214 0.000 10.457) 31.972 2.133 ( 28.090 0.000 -8.355) 29.306 2.787 ( 16.709 0.000 37.755) 41.287 2.944 ( 10.907 0.000 45.818) 47.098 4.203 ( -5.214 -0.000 -27.336) 27.829 4.955 ( -6.984 -0.000 -35.561) 36.240 7.385 ( -0.878 -0.000 -1.976) 2.163 7.408 ( 1.860 0.000 1.027) 2.124 7.749 ( 11.087 0.000 3.028) 11.493 8.004 ( 9.871 0.000 -1.945) 10.061 8.187 ( -6.098 -0.000 16.429) 17.524 8.645 ( 0.894 0.000 -2.582) 2.733 9.063 ( -8.877 -0.000 -3.988) 9.732 9.316 ( 2.615 0.000 -4.794) 5.461 11.170 ( -6.268 -0.000 15.571) 16.785 11.793 ( -4.633 -0.000 -13.656) 14.420 56.269 ( 0.204 0.000 0.508) 0.547 56.303 ( 0.329 0.000 -0.481) 0.583 ======================= Grid point 471 (201/424) ======================= q-point: ( 0.13 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 35.673 -4.501 4.932) 36.292 2.450 ( 20.717 37.333 44.510) 61.677 2.538 ( 26.130 -9.523 -7.335) 28.763 3.451 ( -3.113 3.169 -11.282) 12.126 4.231 ( 15.706 -23.954 17.564) 33.601 5.037 ( -6.254 -25.581 -32.682) 41.971 7.309 ( 1.021 6.700 -1.060) 6.860 7.412 ( -3.048 -0.693 -1.243) 3.364 7.877 ( 7.847 -0.982 3.045) 8.474 8.067 ( 6.816 1.792 -2.286) 7.409 8.292 ( 1.379 -8.062 13.572) 15.846 8.711 ( 1.765 -5.823 -1.837) 6.356 8.901 ( -9.172 6.422 -3.393) 11.699 9.303 ( 5.067 5.014 -1.765) 7.344 11.021 ( -10.484 11.417 14.562) 21.268 11.550 ( -6.104 16.800 -16.511) 24.333 56.277 ( 0.308 -0.396 0.453) 0.676 56.309 ( 0.420 -0.457 -0.440) 0.761 ======================= Grid point 472 (202/424) ======================= q-point: ( 0.20 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 25.667 36.096 37.922) 58.308 2.323 ( 23.086 -0.825 3.670) 23.390 3.069 ( 27.426 -14.526 -8.928) 32.294 3.190 ( 5.114 3.560 -18.549) 19.568 5.042 ( 16.657 -35.076 27.077) 47.339 5.367 ( -4.388 -31.222 -27.747) 41.999 7.196 ( 1.985 8.986 0.046) 9.203 7.367 ( -5.729 -0.179 -2.434) 6.227 7.949 ( 0.574 -0.144 7.765) 7.788 8.062 ( 4.016 5.000 -4.904) 8.073 8.442 ( 3.588 -1.981 4.091) 5.791 8.623 ( -8.621 9.769 -5.050) 13.974 8.877 ( 3.729 -5.701 2.781) 7.358 9.266 ( 6.461 5.579 -0.652) 8.561 10.731 ( -9.975 14.783 16.240) 24.120 11.062 ( -6.401 27.340 -19.055) 33.934 56.290 ( 0.332 -0.639 0.317) 0.786 56.323 ( 0.506 -0.800 -0.320) 0.999 ======================= Grid point 473 (203/424) ======================= q-point: ( 0.27 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 24.106 26.450 42.235) 55.358 2.478 ( 16.180 -0.469 -15.365) 22.318 3.314 ( 19.096 -9.933 -0.303) 21.526 3.672 ( 25.491 -19.901 -5.376) 32.784 5.702 ( 0.620 -28.787 -10.890) 30.784 5.815 ( 4.870 -27.715 3.337) 28.337 7.034 ( 0.417 13.459 -0.501) 13.475 7.309 ( -4.258 -0.834 -0.673) 4.391 7.833 ( -9.251 11.756 4.995) 15.771 8.030 ( 5.597 2.613 -0.851) 6.235 8.377 ( -5.595 9.570 -5.000) 12.161 8.468 ( 6.633 4.379 1.195) 8.037 8.997 ( 2.446 -4.169 0.804) 4.900 9.235 ( 4.104 5.560 -2.737) 7.433 10.443 ( -2.546 28.458 -7.610) 29.568 10.512 ( -8.096 12.222 9.199) 17.308 56.305 ( 0.318 -0.748 0.155) 0.827 56.343 ( 0.548 -0.971 -0.185) 1.130 ======================= Grid point 474 (204/424) ======================= q-point: ( 0.33 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 22.134 8.804 33.794) 41.345 2.739 ( 19.768 -12.923 -4.295) 24.005 3.698 ( 18.431 -11.149 0.122) 21.541 4.212 ( 20.598 -17.886 -1.364) 27.314 6.032 ( -4.056 -17.760 -17.604) 25.333 6.171 ( -4.601 -13.135 -3.216) 14.285 6.744 ( -2.722 19.409 -0.294) 19.601 7.314 ( 2.529 1.959 0.236) 3.208 7.572 ( -6.361 6.625 9.227) 13.018 8.014 ( 3.895 8.267 2.926) 9.596 8.177 ( -1.040 5.891 -7.004) 9.211 8.471 ( 5.007 2.990 -0.560) 5.858 9.039 ( -3.230 0.378 -6.088) 6.902 9.182 ( 5.678 2.462 0.680) 6.226 9.900 ( -0.831 26.104 -13.070) 29.206 10.401 ( -3.712 5.236 21.086) 22.041 56.321 ( 0.297 -0.740 0.022) 0.798 56.364 ( 0.508 -0.954 -0.087) 1.084 ======================= Grid point 475 (205/424) ======================= q-point: ( 0.40 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 16.480 -7.173 22.136) 28.514 3.209 ( 21.401 -15.317 5.703) 26.928 4.026 ( 14.183 -8.945 -3.458) 17.121 4.657 ( 14.140 -14.455 2.494) 20.374 5.947 ( -8.332 14.729 -14.558) 22.323 6.162 ( -8.970 4.201 -7.220) 12.257 6.479 ( -6.067 2.223 -5.339) 8.382 7.226 ( 4.752 8.991 0.204) 10.172 7.620 ( 1.002 -5.691 11.049) 12.469 7.857 ( 2.051 11.710 -0.283) 11.891 8.144 ( 1.239 -1.057 -3.867) 4.196 8.440 ( 1.875 4.817 -6.980) 8.686 8.952 ( -1.397 2.300 -2.081) 3.402 9.254 ( 5.758 0.129 1.742) 6.017 9.572 ( 1.690 8.539 -4.842) 9.961 10.328 ( -4.222 6.848 17.810) 19.542 56.335 ( 0.268 -0.603 -0.074) 0.664 56.383 ( 0.383 -0.762 -0.018) 0.853 ======================= Grid point 476 (206/424) ======================= q-point: ( 0.47 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 8.635 -16.777 12.478) 22.621 3.611 ( 18.583 -4.352 7.941) 20.672 4.256 ( 9.741 -5.743 -8.074) 13.895 4.968 ( 6.601 -6.652 4.199) 10.269 5.498 ( -3.068 21.691 -3.593) 22.200 5.912 ( -11.427 6.623 -15.523) 20.382 6.403 ( -4.492 2.040 0.762) 4.992 7.181 ( 5.647 3.676 1.725) 6.955 7.659 ( 2.482 7.828 2.891) 8.706 7.780 ( -2.154 -3.732 0.635) 4.355 8.172 ( 1.637 -1.164 -3.424) 3.969 8.300 ( 0.628 9.592 -11.465) 14.962 8.948 ( 0.920 -1.065 3.166) 3.465 9.255 ( 5.278 4.714 2.123) 7.388 9.661 ( 2.447 -13.177 2.081) 13.563 10.182 ( -5.706 9.938 11.873) 16.501 56.345 ( 0.231 -0.351 -0.131) 0.440 56.395 ( 0.183 -0.419 0.028) 0.458 ======================= Grid point 477 (207/424) ======================= q-point: (-0.47 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( -0.267 -17.047 7.010) 18.434 3.765 ( 13.178 6.879 1.666) 14.958 4.316 ( 5.485 5.780 -8.736) 11.825 4.927 ( 1.433 8.056 2.475) 8.549 5.379 ( 3.695 1.198 4.973) 6.310 5.662 ( -10.173 3.882 -17.089) 20.264 6.342 ( -1.750 2.868 10.535) 11.057 7.205 ( 3.794 0.699 1.292) 4.068 7.564 ( 0.386 5.255 -0.590) 5.302 7.800 ( -4.982 -3.110 -2.527) 6.394 8.110 ( 1.385 7.842 -6.813) 10.480 8.210 ( 4.290 0.467 -5.154) 6.722 8.992 ( 2.034 -0.693 3.518) 4.122 9.254 ( 2.547 1.695 2.205) 3.771 9.849 ( -8.326 3.106 8.748) 12.470 10.088 ( 3.101 -11.426 1.212) 11.901 56.350 ( 0.197 -0.033 -0.144) 0.246 56.399 ( -0.063 0.029 0.049) 0.085 ======================= Grid point 478 (208/424) ======================= q-point: (-0.40 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -8.296 -4.540 6.819) 11.659 3.660 ( 2.033 11.801 -13.898) 18.345 4.237 ( 9.900 8.884 0.354) 13.307 4.961 ( 6.412 -3.778 4.850) 8.883 5.303 ( 0.324 15.119 5.422) 16.065 5.506 ( -8.556 -4.099 -11.948) 15.256 6.305 ( -4.262 3.465 9.856) 11.283 7.226 ( 1.550 0.193 -0.782) 1.747 7.478 ( -3.175 2.465 -2.161) 4.564 7.836 ( -2.200 -7.878 -0.249) 8.183 8.026 ( 3.715 4.650 -2.230) 6.356 8.248 ( 6.606 -0.573 -4.736) 8.149 9.022 ( 2.190 1.071 3.067) 3.918 9.252 ( -0.356 0.286 0.620) 0.770 9.590 ( -11.543 12.092 2.393) 16.887 10.455 ( 3.357 -22.802 0.236) 23.049 56.349 ( 0.182 0.289 -0.118) 0.362 56.393 ( -0.310 0.502 0.053) 0.592 ======================= Grid point 479 (209/424) ======================= q-point: (-0.33 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -12.554 11.793 9.536) 19.688 3.441 ( -4.678 4.516 -24.727) 25.567 4.180 ( 8.985 11.770 -5.486) 15.791 4.881 ( -8.099 26.790 -3.259) 28.177 5.150 ( 6.399 -2.056 16.873) 18.162 5.526 ( -1.176 1.593 5.098) 5.469 6.269 ( -5.518 -10.743 2.965) 12.436 7.235 ( 1.703 -0.020 -2.582) 3.093 7.443 ( -2.502 -1.968 1.283) 3.433 7.967 ( -2.489 -8.722 1.844) 9.256 7.991 ( 2.015 3.553 -1.084) 4.227 8.375 ( 11.754 -6.198 -3.690) 13.791 9.016 ( 1.609 3.250 3.528) 5.059 9.239 ( -3.832 4.105 -4.023) 6.908 9.299 ( -10.048 3.184 -0.260) 10.543 10.843 ( 0.512 -22.214 -4.048) 22.586 56.344 ( 0.194 0.571 -0.066) 0.607 56.378 ( -0.501 0.887 0.056) 1.021 ======================= Grid point 480 (210/424) ======================= q-point: (-0.27 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -14.094 20.527 9.689) 26.719 3.263 ( -6.032 3.303 -27.333) 28.185 3.944 ( -6.769 16.043 -24.700) 30.221 4.238 ( -10.605 31.886 -4.333) 33.881 5.196 ( -2.684 19.653 27.103) 33.586 5.481 ( 14.271 1.454 22.543) 26.720 6.638 ( -0.808 -31.535 -0.136) 31.545 7.247 ( 4.158 1.228 -2.747) 5.133 7.481 ( -1.898 -4.031 3.243) 5.511 7.920 ( -1.994 5.163 -1.820) 5.826 8.068 ( -3.053 -7.075 1.679) 7.887 8.655 ( 13.244 -12.112 -3.118) 18.216 8.967 ( -6.354 3.912 1.822) 7.681 9.006 ( -1.663 6.408 -3.899) 7.683 9.349 ( -2.469 -9.888 -0.519) 10.205 11.149 ( -3.279 -19.354 -10.494) 22.259 56.335 ( 0.208 0.827 0.016) 0.853 56.356 ( -0.572 1.056 0.047) 1.202 ======================= Grid point 481 (211/424) ======================= q-point: (-0.20 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -13.477 25.936 5.977) 29.833 2.876 ( -15.973 29.338 -16.516) 37.264 3.366 ( -16.485 18.666 -18.818) 31.214 3.856 ( -5.001 3.097 -27.282) 27.909 4.799 ( 3.900 35.908 33.709) 49.405 5.763 ( 13.950 -3.614 27.137) 30.726 7.100 ( 0.992 -21.267 -2.872) 21.483 7.270 ( 7.126 1.126 -0.624) 7.241 7.528 ( -4.229 -3.066 3.174) 6.112 7.778 ( -3.442 6.216 -2.733) 7.613 8.148 ( -5.719 -6.762 4.267) 9.831 8.841 ( -5.725 -2.825 0.003) 6.384 8.963 ( 8.751 2.446 0.872) 9.128 8.992 ( 3.076 -13.053 -8.697) 15.983 9.577 ( 2.327 -18.520 5.400) 19.431 11.343 ( -7.249 -16.158 -16.909) 24.485 56.320 ( 0.003 1.176 0.219) 1.197 56.335 ( -0.296 0.839 -0.089) 0.894 ======================= Grid point 482 (212/424) ======================= q-point: (-0.13 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -13.166 31.472 -3.179) 34.263 2.078 ( -25.759 30.240 8.914) 40.712 2.912 ( -1.956 23.491 -11.957) 26.431 3.779 ( -10.590 -12.347 -37.001) 40.419 4.357 ( 9.422 37.395 34.768) 51.923 5.941 ( 8.210 5.731 14.193) 17.369 7.206 ( 4.162 3.837 -4.792) 7.417 7.392 ( 1.081 -0.588 3.501) 3.711 7.544 ( -2.658 -9.605 -0.081) 9.967 7.709 ( 3.176 2.536 0.987) 4.183 8.201 ( -6.626 -5.889 8.697) 12.419 8.903 ( -4.162 -9.418 -0.632) 10.316 8.975 ( 3.376 1.631 2.424) 4.465 9.203 ( 1.588 -10.331 -14.022) 17.490 10.032 ( 7.277 -25.916 13.411) 30.074 11.449 ( -9.349 -14.853 -19.458) 26.204 56.299 ( -0.213 1.213 0.385) 1.291 56.322 ( 0.082 0.659 -0.238) 0.705 ======================= Grid point 483 (213/424) ======================= q-point: (-0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -5.760 5.334 22.943) 24.249 1.561 ( -8.674 16.003 25.025) 30.945 2.489 ( 3.397 23.559 -11.407) 26.394 3.673 ( -1.112 17.488 6.341) 18.635 4.093 ( 2.512 3.392 -5.228) 6.719 5.782 ( -0.730 18.365 -10.154) 20.998 7.188 ( 2.093 -0.192 4.224) 4.718 7.396 ( 1.224 0.336 2.328) 2.652 7.683 ( 1.683 -0.803 1.271) 2.257 7.741 ( 9.865 -1.753 0.068) 10.020 8.258 ( -4.432 -3.384 12.051) 13.279 8.941 ( -0.982 5.240 0.976) 5.420 9.029 ( -5.050 -10.135 -3.852) 11.961 9.273 ( -2.249 -5.002 -16.275) 17.174 10.580 ( 6.107 -25.240 18.225) 31.726 11.565 ( -6.994 -16.614 -14.953) 23.421 56.281 ( -0.136 0.924 0.464) 1.043 56.312 ( 0.202 0.582 -0.373) 0.720 ======================= Grid point 486 (214/424) ======================= q-point: ( 0.13 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 37.723 0.000 -0.079) 37.723 2.732 ( 35.026 0.000 -6.502) 35.625 3.247 ( 0.083 0.000 11.550) 11.550 3.430 ( 21.387 0.000 34.840) 40.881 4.173 ( 12.248 0.000 1.931) 12.399 4.619 ( -3.826 -0.000 -34.669) 34.879 7.361 ( 0.175 0.000 -6.866) 6.869 7.364 ( -3.951 -0.000 -1.936) 4.400 7.942 ( 2.554 0.000 7.334) 7.767 8.143 ( 5.698 0.000 -4.774) 7.434 8.300 ( 7.112 0.000 14.468) 16.122 8.697 ( 4.766 0.000 1.154) 4.904 8.850 ( -9.501 -0.000 -2.512) 9.828 9.413 ( 7.540 0.000 1.427) 7.674 10.997 ( -17.926 -0.000 11.372) 21.228 11.576 ( -6.795 -0.000 -18.986) 20.165 56.279 ( 0.464 0.000 0.450) 0.647 56.309 ( 0.480 0.000 -0.450) 0.658 ======================= Grid point 487 (215/424) ======================= q-point: ( 0.20 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 32.014 1.499 -11.136) 33.929 3.017 ( 11.089 25.098 26.070) 37.848 3.165 ( 32.981 -8.082 -3.623) 34.149 3.405 ( 12.938 21.332 -1.409) 24.988 4.742 ( 13.581 -27.674 9.424) 32.235 4.754 ( 3.606 -30.611 -15.832) 34.651 7.305 ( -3.031 2.417 -6.082) 7.212 7.314 ( -1.329 1.401 -3.373) 3.887 7.967 ( -2.468 0.388 10.239) 10.540 8.157 ( 4.594 2.721 -4.992) 7.309 8.426 ( 6.061 -1.199 4.241) 7.494 8.681 ( -7.557 7.026 -0.259) 10.322 8.842 ( 5.862 -6.955 4.723) 10.249 9.457 ( 8.998 5.678 2.421) 10.911 10.775 ( -20.228 5.475 10.872) 23.608 11.308 ( -6.780 16.105 -20.364) 26.833 56.288 ( 0.523 -0.281 0.360) 0.694 56.317 ( 0.531 -0.499 -0.376) 0.820 ======================= Grid point 488 (216/424) ======================= q-point: ( 0.27 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 17.103 7.621 -25.443) 31.590 2.823 ( 18.699 31.141 44.445) 57.400 3.444 ( 27.360 -1.049 0.012) 27.380 3.665 ( 28.670 -13.956 -4.897) 32.260 5.132 ( 1.036 -30.190 -25.077) 39.260 5.475 ( 9.841 -28.105 14.600) 33.165 7.196 ( -1.778 5.682 -4.547) 7.491 7.282 ( 0.078 0.572 -0.424) 0.716 7.903 ( -7.946 6.078 8.988) 13.448 8.131 ( 5.174 3.728 -4.636) 7.884 8.455 ( -2.003 6.738 -3.025) 7.652 8.505 ( -0.459 1.485 1.140) 1.928 9.005 ( 3.928 -2.852 3.425) 5.940 9.431 ( 8.972 9.217 1.743) 12.980 10.534 ( -17.054 3.505 13.823) 22.230 10.836 ( -5.056 25.654 -18.654) 32.120 56.300 ( 0.509 -0.468 0.202) 0.721 56.333 ( 0.550 -0.849 -0.243) 1.040 ======================= Grid point 489 (217/424) ======================= q-point: ( 0.33 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 18.862 23.346 38.387) 48.727 2.773 ( 23.688 -3.951 -7.677) 25.213 3.797 ( 27.425 -4.754 -0.802) 27.846 4.156 ( 21.778 -15.711 -4.313) 27.198 5.562 ( 1.686 -27.003 -19.462) 33.328 5.876 ( -4.378 -14.826 -3.388) 15.826 7.043 ( 1.384 13.690 0.898) 13.789 7.327 ( 3.567 -3.767 4.070) 6.594 7.675 ( -7.654 11.274 4.488) 14.347 8.128 ( 4.329 1.965 -1.725) 5.057 8.274 ( -3.211 9.942 1.677) 10.582 8.515 ( 1.227 -0.267 -5.649) 5.787 9.018 ( -1.149 2.108 -2.673) 3.593 9.364 ( 8.240 9.493 1.852) 12.706 10.280 ( -4.232 24.138 -15.149) 28.811 10.439 ( -9.804 2.737 18.521) 21.134 56.314 ( 0.478 -0.583 0.064) 0.757 56.353 ( 0.502 -0.975 -0.135) 1.105 ======================= Grid point 490 (218/424) ======================= q-point: ( 0.40 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 18.615 15.276 37.019) 44.162 3.207 ( 26.714 -15.878 1.056) 31.095 4.114 ( 23.399 -2.441 -3.104) 23.730 4.581 ( 14.776 -14.296 -2.714) 20.738 5.786 ( -10.573 -6.329 -17.751) 21.609 5.989 ( -2.171 -13.652 -13.600) 19.392 6.731 ( -1.572 25.125 5.598) 25.789 7.410 ( 5.689 4.855 -2.295) 7.823 7.562 ( -0.686 -3.866 10.339) 11.060 8.068 ( -2.040 12.145 0.476) 12.324 8.135 ( 1.783 0.377 -1.265) 2.219 8.494 ( 1.139 2.059 -7.695) 8.047 8.950 ( -1.729 1.617 -3.519) 4.241 9.334 ( 6.734 3.902 3.030) 8.352 9.839 ( 0.329 20.796 -9.131) 22.715 10.381 ( -9.469 1.509 18.233) 20.601 56.329 ( 0.444 -0.584 -0.034) 0.735 56.373 ( 0.381 -0.902 -0.066) 0.982 ======================= Grid point 491 (219/424) ======================= q-point: ( 0.47 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 13.270 4.697 29.349) 32.550 3.744 ( 26.797 -11.930 5.561) 29.856 4.330 ( 18.603 0.781 -5.152) 19.319 4.903 ( 8.215 -11.222 0.032) 13.908 5.612 ( -10.512 3.884 -19.709) 22.672 6.015 ( -2.386 10.279 -7.947) 13.210 6.359 ( -4.722 10.687 3.082) 12.084 7.377 ( 8.332 6.409 2.737) 10.862 7.671 ( -0.945 -4.950 3.416) 6.088 7.851 ( -1.814 11.324 -1.433) 11.558 8.150 ( -0.120 -1.276 -0.819) 1.521 8.417 ( 2.244 6.298 -9.839) 11.896 8.942 ( 0.990 -1.433 1.648) 2.398 9.376 ( 4.209 1.162 2.147) 4.866 9.600 ( 1.957 5.721 -2.387) 6.501 10.271 ( -10.119 5.775 13.439) 17.786 56.341 ( 0.406 -0.451 -0.094) 0.615 56.389 ( 0.196 -0.657 -0.022) 0.686 ======================= Grid point 492 (220/424) ======================= q-point: (-0.47 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 6.310 -3.625 21.687) 22.875 4.078 ( 21.889 5.467 2.563) 22.707 4.449 ( 14.352 2.900 -7.119) 16.281 5.066 ( 2.155 1.836 1.742) 3.324 5.417 ( -0.820 2.173 -8.244) 8.565 5.695 ( -3.511 15.650 -7.154) 17.562 6.278 ( -7.433 -3.076 1.047) 8.112 7.378 ( 9.496 7.255 7.515) 14.117 7.658 ( -3.865 6.627 -4.628) 8.960 7.709 ( -1.751 -0.381 -1.572) 2.384 8.149 ( -2.715 -0.189 -1.415) 3.068 8.313 ( 6.255 6.630 -8.067) 12.172 9.008 ( 3.201 -2.162 3.860) 5.460 9.342 ( 2.085 5.311 0.096) 5.706 9.688 ( -2.510 -11.165 3.210) 11.885 10.082 ( -8.438 6.977 6.291) 12.627 56.351 ( 0.370 -0.209 -0.113) 0.440 56.397 ( -0.028 -0.270 -0.004) 0.272 ======================= Grid point 493 (221/424) ======================= q-point: (-0.40 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 0.332 -4.123 16.116) 16.638 3.992 ( 9.384 22.288 -6.955) 25.163 4.498 ( 14.802 6.333 -4.096) 16.612 5.034 ( 8.172 2.723 6.188) 10.606 5.411 ( -3.877 4.568 -6.813) 9.073 5.455 ( -1.058 4.824 -0.918) 5.023 6.257 ( -9.606 -3.069 1.058) 10.140 7.355 ( 6.691 8.440 7.083) 12.891 7.497 ( -4.449 5.165 -5.187) 8.567 7.717 ( -0.003 -3.882 -1.947) 4.343 8.109 ( -0.459 1.837 -0.610) 1.990 8.303 ( 7.749 1.507 -5.443) 9.589 9.079 ( 4.655 -0.037 3.139) 5.614 9.274 ( -1.458 3.383 -0.489) 3.716 9.643 ( -14.724 8.268 4.747) 17.541 10.128 ( 0.336 -17.017 -1.770) 17.112 56.355 ( 0.347 0.087 -0.096) 0.370 56.396 ( -0.253 0.196 -0.001) 0.320 ======================= Grid point 494 (222/424) ======================= q-point: (-0.33 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -4.959 6.306 9.677) 12.570 3.634 ( 3.481 23.261 -9.182) 25.249 4.498 ( 13.919 12.442 -8.350) 20.451 5.116 ( -0.804 10.341 -5.016) 11.522 5.261 ( 1.422 2.908 15.398) 15.735 5.419 ( 2.202 -6.655 0.823) 7.058 6.163 ( -11.421 0.114 0.409) 11.429 7.303 ( 4.495 6.077 3.086) 8.164 7.415 ( -1.225 0.051 -0.324) 1.268 7.814 ( 0.020 -6.792 -0.166) 6.794 8.081 ( 1.925 2.668 -0.054) 3.291 8.384 ( 8.677 -3.296 -4.151) 10.168 9.120 ( 5.430 2.267 1.962) 6.202 9.202 ( -5.548 0.800 -0.051) 5.606 9.318 ( -13.589 12.004 -1.104) 18.165 10.444 ( -2.894 -22.166 -5.667) 23.061 56.354 ( 0.348 0.379 -0.059) 0.518 56.386 ( -0.431 0.649 0.007) 0.779 ======================= Grid point 495 (223/424) ======================= q-point: (-0.27 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -8.355 15.803 4.829) 18.516 3.305 ( 2.631 16.425 -11.925) 20.467 4.223 ( -1.352 26.936 -21.640) 34.578 4.611 ( -9.517 29.400 -10.234) 32.553 5.412 ( 5.677 -1.816 32.064) 32.613 5.719 ( 12.804 -6.512 10.545) 17.819 6.159 ( -6.350 -17.847 3.351) 19.237 7.287 ( 3.946 1.056 -1.097) 4.229 7.439 ( 1.646 -1.439 1.465) 2.632 7.884 ( -4.361 -3.220 -1.257) 5.565 8.056 ( 2.593 3.134 1.137) 4.223 8.571 ( 8.859 -9.472 -3.922) 13.549 8.971 ( -15.500 8.113 -3.690) 17.880 9.135 ( 6.196 4.503 3.194) 8.299 9.192 ( -1.563 -3.856 -1.275) 4.352 10.722 ( -7.507 -21.013 -12.035) 25.352 56.350 ( 0.381 0.634 -0.023) 0.740 56.367 ( -0.525 0.980 0.039) 1.112 ======================= Grid point 496 (224/424) ======================= q-point: (-0.20 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -8.051 22.795 4.748) 24.637 3.081 ( 2.259 11.350 -15.860) 19.633 3.443 ( -23.488 36.453 -26.453) 50.796 4.093 ( 0.457 25.640 -14.315) 29.369 5.439 ( 7.081 20.284 33.919) 40.151 5.933 ( 12.672 -2.829 25.267) 28.408 6.641 ( 2.750 -34.258 1.364) 34.395 7.337 ( 4.602 -1.676 -3.817) 6.210 7.476 ( 0.992 0.037 0.767) 1.254 7.810 ( -5.606 2.999 -4.469) 7.772 8.050 ( -1.323 -0.171 4.347) 4.547 8.707 ( -10.435 -1.059 -8.878) 13.742 8.840 ( 4.789 -9.122 -0.953) 10.347 9.126 ( 4.891 4.172 1.134) 6.528 9.346 ( 4.958 -12.971 5.469) 14.924 10.897 ( -12.349 -18.540 -19.198) 29.407 56.340 ( 0.208 1.089 0.097) 1.113 56.346 ( -0.290 0.866 -0.008) 0.913 ======================= Grid point 497 (225/424) ======================= q-point: (-0.13 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -10.533 33.127 -5.594) 35.208 2.437 ( -18.598 36.481 3.917) 41.135 3.034 ( 0.413 1.265 -28.613) 28.644 3.665 ( 0.217 19.868 -20.608) 28.626 5.184 ( 11.878 33.260 35.486) 50.066 6.143 ( 7.474 1.448 18.955) 20.426 7.187 ( 7.797 -17.824 -0.462) 19.461 7.338 ( -5.430 -3.692 -2.997) 7.218 7.464 ( 6.066 2.860 0.444) 6.721 7.757 ( 1.895 -1.331 -4.012) 4.632 8.051 ( -7.230 -4.093 8.129) 11.623 8.666 ( -7.866 -9.140 -7.344) 14.119 9.028 ( 3.111 -6.268 -1.016) 7.071 9.113 ( 4.533 2.193 -1.595) 5.282 9.738 ( 8.195 -22.196 12.108) 26.579 10.981 ( -15.268 -17.995 -23.826) 33.536 56.319 ( -0.242 1.287 0.258) 1.335 56.335 ( 0.313 0.747 -0.129) 0.820 ======================= Grid point 498 (226/424) ======================= q-point: (-0.07 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -13.827 22.578 8.270) 27.737 1.935 ( 2.054 22.450 18.921) 29.432 2.886 ( 9.660 16.568 -19.990) 27.702 3.404 ( -5.179 -2.195 -30.496) 31.011 4.843 ( 15.569 37.930 36.015) 54.573 6.061 ( 0.666 17.249 -4.393) 17.812 7.145 ( -7.560 -0.732 1.551) 7.752 7.479 ( 3.871 2.649 0.963) 4.789 7.665 ( 13.021 -9.218 0.846) 15.976 7.816 ( 7.457 -1.396 -2.561) 8.007 8.137 ( -5.769 -11.319 13.196) 18.317 8.757 ( -7.316 -12.614 -6.567) 15.993 9.038 ( 0.856 5.017 0.447) 5.109 9.160 ( 1.402 -2.288 -8.312) 8.735 10.254 ( 5.050 -26.030 16.765) 31.370 11.086 ( -12.671 -21.989 -21.271) 33.114 56.298 ( -0.109 1.121 0.350) 1.179 56.326 ( 0.372 0.762 -0.245) 0.883 ======================= Grid point 502 (227/424) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 27.292 0.000 -21.841) 34.955 3.271 ( 5.326 0.000 11.302) 12.494 3.397 ( 28.013 0.000 -9.131) 29.464 3.903 ( 12.803 0.000 4.701) 13.639 4.581 ( 16.236 0.000 -1.441) 16.300 4.593 ( 19.282 0.000 14.339) 24.029 7.268 ( -3.530 -0.000 -1.778) 3.952 7.283 ( -2.735 -0.000 -11.415) 11.738 7.971 ( -3.665 -0.000 10.798) 11.403 8.204 ( 4.244 0.000 -6.575) 7.825 8.550 ( 7.856 0.000 9.619) 12.419 8.676 ( -5.452 -0.000 0.691) 5.496 8.839 ( 6.526 0.000 4.838) 8.124 9.610 ( 9.429 0.000 3.132) 9.936 10.601 ( -25.306 -0.000 7.783) 26.476 11.299 ( -8.349 -0.000 -22.111) 23.635 56.293 ( 0.628 0.000 0.363) 0.725 56.317 ( 0.548 0.000 -0.383) 0.669 ======================= Grid point 503 (228/424) ======================= q-point: ( 0.27 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 13.230 10.809 -28.990) 33.649 3.400 ( 13.969 7.862 27.651) 31.961 3.653 ( 15.388 -11.130 -17.658) 25.932 3.951 ( 31.652 14.248 9.715) 36.045 4.772 ( 17.694 -12.407 -7.753) 22.959 5.191 ( 13.034 -25.110 13.329) 31.274 7.197 ( -3.150 1.056 -5.982) 6.843 7.261 ( -1.529 -1.941 -4.435) 5.077 7.941 ( -4.302 3.193 9.368) 10.792 8.215 ( 4.665 1.847 -6.115) 7.910 8.550 ( -4.048 4.054 4.434) 7.244 8.599 ( 6.122 8.760 4.140) 11.461 8.986 ( 4.146 -5.185 3.174) 7.358 9.663 ( 8.953 5.917 2.476) 11.013 10.367 ( -24.099 -1.329 9.319) 25.873 11.031 ( -8.347 13.309 -21.500) 26.628 56.301 ( 0.632 -0.165 0.252) 0.701 56.326 ( 0.545 -0.534 -0.286) 0.815 ======================= Grid point 504 (229/424) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 18.181 -0.005 -16.529) 24.571 3.371 ( 10.765 18.693 34.870) 41.003 4.013 ( 17.929 -15.760 -14.930) 28.156 4.158 ( 30.345 3.674 1.034) 30.584 5.217 ( 18.188 -19.273 -5.392) 27.044 5.599 ( -0.963 -13.955 -2.027) 14.134 7.158 ( -0.348 0.559 -4.786) 4.831 7.297 ( 1.235 -4.088 3.086) 5.269 7.808 ( -3.609 10.568 4.845) 12.173 8.206 ( 4.148 3.224 -2.844) 5.974 8.425 ( -2.693 8.343 7.765) 11.712 8.542 ( 4.162 5.111 -1.812) 6.836 9.030 ( -1.199 1.261 -3.192) 3.635 9.622 ( 7.815 9.923 1.318) 12.699 10.244 ( -17.862 -5.204 12.013) 22.146 10.617 ( -6.748 19.261 -15.753) 25.781 56.312 ( 0.595 -0.336 0.106) 0.691 56.342 ( 0.488 -0.848 -0.165) 0.992 ======================= Grid point 505 (230/424) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 17.039 -0.533 10.587) 20.068 3.342 ( 19.082 5.463 22.271) 29.832 4.390 ( 23.962 -6.057 -8.638) 26.182 4.421 ( 15.326 -9.285 -7.896) 19.582 5.582 ( -1.644 -3.712 -7.882) 8.866 5.736 ( 7.346 -14.935 -7.428) 18.226 7.063 ( -1.048 11.728 -0.565) 11.788 7.435 ( 3.523 -5.694 4.515) 8.076 7.611 ( -0.220 8.728 1.129) 8.804 8.155 ( -0.904 5.597 0.322) 5.679 8.273 ( -0.628 10.079 7.151) 12.374 8.512 ( 3.138 1.732 -6.830) 7.714 8.962 ( -1.164 2.362 -3.354) 4.264 9.528 ( 6.051 9.780 0.702) 11.522 10.093 ( -7.502 13.033 -8.750) 17.399 10.317 ( -10.581 1.632 11.387) 15.630 56.325 ( 0.557 -0.464 0.006) 0.725 56.361 ( 0.362 -0.926 -0.095) 0.999 ======================= Grid point 506 (231/424) ======================= q-point: ( 0.47 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 7.890 13.170 31.294) 34.857 3.798 ( 27.820 -16.516 4.518) 32.667 4.618 ( 25.996 5.851 -1.159) 26.671 4.725 ( 3.718 -17.212 -12.172) 21.406 5.474 ( -7.413 0.459 -16.487) 18.083 6.006 ( 7.805 -4.419 -2.187) 9.232 6.733 ( -0.678 26.358 4.592) 26.763 7.480 ( 2.023 -0.502 -5.703) 6.072 7.620 ( 1.605 -2.771 5.403) 6.280 7.991 ( -4.149 10.314 0.017) 11.118 8.164 ( -1.654 4.322 5.632) 7.289 8.497 ( 5.036 2.861 -9.323) 10.976 8.943 ( 1.565 -0.396 1.523) 2.220 9.455 ( 3.359 5.030 1.349) 6.198 9.779 ( -1.712 13.786 -8.106) 16.084 10.238 ( -12.908 0.487 12.434) 17.929 56.338 ( 0.520 -0.472 -0.051) 0.704 56.378 ( 0.183 -0.814 -0.061) 0.837 ======================= Grid point 507 (232/424) ======================= q-point: ( 0.53 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 3.921 7.400 27.842) 29.075 4.301 ( 24.563 -7.692 -0.428) 25.743 4.712 ( 15.903 8.626 -1.599) 18.162 4.997 ( 5.354 -13.705 -1.465) 14.786 5.374 ( -1.135 0.342 -16.949) 16.990 5.968 ( 1.690 14.391 -5.098) 15.361 6.327 ( -1.516 19.527 7.420) 20.944 7.529 ( 2.666 -2.226 -0.654) 3.534 7.655 ( 0.343 0.958 0.067) 1.020 7.780 ( -3.347 9.495 -1.631) 10.199 8.111 ( -3.517 1.020 4.423) 5.742 8.457 ( 6.650 5.648 -8.512) 12.189 9.012 ( 3.736 -3.023 4.686) 6.713 9.423 ( -1.308 2.729 1.389) 3.330 9.599 ( -0.189 3.525 -4.829) 5.982 10.092 ( -12.516 4.476 7.241) 15.137 56.350 ( 0.483 -0.345 -0.070) 0.598 56.390 ( -0.024 -0.538 -0.056) 0.541 ======================= Grid point 508 (233/424) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 1.771 0.650 24.773) 24.845 4.435 ( 13.815 16.462 -5.181) 22.107 4.690 ( 8.309 5.041 -6.912) 11.926 5.254 ( 16.296 0.447 12.653) 20.637 5.356 ( 0.161 -5.714 -12.591) 13.828 5.635 ( 0.570 20.888 -5.572) 21.626 6.136 ( -7.768 3.753 4.074) 9.540 7.502 ( -4.811 3.852 -5.487) 8.252 7.594 ( 3.566 9.892 3.807) 11.183 7.690 ( 1.083 -2.414 -1.307) 2.951 8.085 ( -2.426 -0.362 3.078) 3.936 8.426 ( 8.233 4.471 -5.171) 10.701 9.120 ( 5.166 -2.343 3.729) 6.789 9.314 ( -5.678 5.182 -0.713) 7.720 9.577 ( -7.893 -0.509 -0.189) 7.912 9.950 ( -5.950 -1.915 0.302) 6.257 56.359 ( 0.451 -0.118 -0.053) 0.469 56.394 ( -0.225 -0.138 -0.070) 0.272 ======================= Grid point 509 (234/424) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 0.512 3.552 21.138) 21.441 4.117 ( 7.292 28.860 -3.956) 30.029 4.699 ( 7.077 1.066 -9.999) 12.297 5.268 ( 3.460 15.849 -11.070) 19.640 5.421 ( 1.779 3.459 3.457) 5.204 5.456 ( 11.852 1.415 14.627) 18.879 5.985 ( -14.708 -0.090 -3.988) 15.239 7.399 ( -2.113 0.418 -1.371) 2.553 7.496 ( 4.135 8.104 1.612) 9.240 7.755 ( 1.739 -2.999 0.256) 3.476 8.093 ( 0.188 -1.041 2.093) 2.345 8.451 ( 8.626 1.751 -2.520) 9.155 9.121 ( -11.267 3.960 -4.699) 12.834 9.218 ( 2.474 0.498 2.770) 3.747 9.392 ( -6.872 9.386 1.241) 11.699 10.072 ( -3.757 -16.080 -5.023) 17.260 56.363 ( 0.429 0.153 -0.015) 0.455 56.390 ( -0.373 0.312 -0.081) 0.493 ======================= Grid point 510 (235/424) ======================= q-point: (-0.27 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -1.959 16.339 11.394) 20.016 3.721 ( 7.605 27.073 -0.191) 28.122 4.575 ( -1.201 22.034 -18.832) 29.010 4.944 ( -3.562 22.946 -10.442) 25.461 5.379 ( -1.921 -10.934 9.291) 14.476 5.702 ( 14.307 -7.787 13.938) 21.438 5.934 ( -6.671 -7.356 5.559) 11.381 7.406 ( 2.869 4.980 2.524) 6.277 7.448 ( 4.988 -0.391 0.505) 5.029 7.805 ( -1.464 -2.502 -2.177) 3.626 8.121 ( 2.107 0.855 2.709) 3.537 8.539 ( 7.834 -3.264 -1.504) 8.619 8.869 ( -19.121 4.420 -5.798) 20.464 9.139 ( -3.948 4.319 -7.259) 9.324 9.328 ( 8.654 3.549 8.737) 12.800 10.280 ( -7.819 -18.162 -10.764) 22.514 56.362 ( 0.410 0.409 0.020) 0.580 56.377 ( -0.418 0.725 -0.065) 0.839 ======================= Grid point 511 (236/424) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -2.724 21.261 3.186) 21.671 3.396 ( 8.831 22.808 -1.224) 24.489 3.825 ( -19.975 42.815 -21.487) 51.902 4.495 ( 2.557 25.838 -14.263) 29.624 5.712 ( 4.952 -11.932 26.002) 29.035 5.964 ( -1.919 -8.637 8.014) 11.938 6.202 ( 12.926 -22.487 12.933) 28.982 7.364 ( 4.210 3.573 -2.630) 6.116 7.524 ( 4.638 -0.331 1.726) 4.960 7.776 ( -3.369 1.531 -4.710) 5.990 8.102 ( -0.731 3.980 4.800) 6.278 8.580 ( -12.027 2.582 -8.588) 15.003 8.732 ( 3.189 -8.684 -0.301) 9.256 9.072 ( -3.220 -3.632 -7.288) 8.756 9.419 ( 12.011 1.242 11.457) 16.645 10.417 ( -12.744 -16.397 -18.114) 27.557 56.357 ( -0.282 0.766 0.028) 0.817 56.359 ( 0.328 0.870 -0.011) 0.930 ======================= Grid point 512 (237/424) ======================= q-point: (-0.13 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -4.370 28.294 -4.296) 28.950 2.809 ( -21.403 37.489 -18.774) 47.074 3.180 ( 10.944 18.054 -0.435) 21.116 4.058 ( 4.926 26.872 -15.691) 31.505 5.823 ( 11.068 17.144 29.422) 35.806 6.159 ( -2.014 -12.145 14.725) 19.193 6.843 ( 12.085 -32.462 7.018) 35.343 7.306 ( -2.806 5.709 -9.135) 11.131 7.556 ( 3.675 -0.643 1.117) 3.895 7.718 ( 2.369 1.169 -5.629) 6.218 8.011 ( -7.293 2.966 6.202) 10.022 8.458 ( -6.763 -3.166 -7.207) 10.378 8.933 ( 4.594 -9.355 0.286) 10.426 9.115 ( -1.553 -5.154 -5.482) 7.683 9.636 ( 12.779 -7.867 15.681) 21.704 10.458 ( -16.497 -15.699 -24.815) 33.681 56.336 ( -0.323 1.114 0.090) 1.164 56.352 ( 0.518 0.804 -0.023) 0.957 ======================= Grid point 513 (238/424) ======================= q-point: (-0.07 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -15.478 37.339 -5.063) 40.736 2.312 ( 1.923 15.362 1.515) 15.556 3.061 ( 12.145 9.743 -9.501) 18.240 3.639 ( 8.229 26.316 -15.761) 31.759 5.648 ( 13.611 28.964 29.958) 43.836 6.266 ( -0.323 4.749 2.397) 5.329 7.062 ( -9.305 2.989 -6.960) 11.998 7.448 ( 2.840 -13.110 2.611) 13.665 7.673 ( 11.142 -10.154 0.791) 15.095 7.786 ( 7.813 -6.584 -4.531) 11.176 7.949 ( -7.468 -3.349 10.014) 12.933 8.475 ( -5.898 -8.423 -6.694) 12.270 9.080 ( 1.971 -1.715 -0.674) 2.699 9.154 ( 1.444 -1.870 -3.110) 3.905 10.002 ( 7.205 -16.941 17.745) 25.570 10.509 ( -14.487 -21.455 -25.093) 36.054 56.316 ( -0.125 1.105 0.183) 1.126 56.343 ( 0.515 0.878 -0.111) 1.024 ======================= Grid point 518 (239/424) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 11.182 0.000 -25.909) 28.219 3.494 ( 0.957 0.000 -28.934) 28.950 3.705 ( 17.565 0.000 23.030) 28.964 4.416 ( 30.894 0.000 7.148) 31.710 5.017 ( 16.661 0.000 1.090) 16.696 5.097 ( 23.596 0.000 16.920) 29.036 7.127 ( -4.973 -0.000 -12.618) 13.563 7.226 ( -0.760 -0.000 2.879) 2.978 7.975 ( 0.234 0.000 8.379) 8.382 8.257 ( 5.052 0.000 -7.008) 8.639 8.552 ( -4.951 -0.000 5.611) 7.483 8.796 ( 7.394 0.000 6.757) 10.016 8.976 ( 3.531 0.000 2.391) 4.265 9.803 ( 7.665 0.000 1.203) 7.759 10.106 ( -26.099 -0.000 8.241) 27.370 10.974 ( -10.588 -0.000 -22.591) 24.949 56.308 ( 0.663 0.000 0.267) 0.715 56.326 ( 0.520 0.000 -0.295) 0.597 ======================= Grid point 519 (240/424) ======================= q-point: ( 0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 15.478 4.181 -17.748) 23.918 3.556 ( 0.184 -9.945 -14.931) 17.941 3.919 ( 11.701 -1.412 15.080) 19.140 4.650 ( 30.456 9.844 6.357) 32.633 5.250 ( 23.368 -8.746 -1.370) 24.989 5.450 ( 10.980 -6.747 6.506) 14.437 7.071 ( -4.167 -3.361 -10.483) 11.771 7.260 ( 0.592 -3.038 6.644) 7.330 7.970 ( 4.156 6.845 4.995) 9.438 8.279 ( 4.796 1.424 -5.575) 7.491 8.493 ( -4.499 3.162 7.886) 9.614 8.769 ( 6.369 11.228 5.504) 14.032 9.013 ( -1.542 -0.349 -4.054) 4.352 9.824 ( 5.463 5.570 -1.750) 7.996 9.958 ( -20.360 -7.994 13.147) 25.520 10.712 ( -10.693 9.635 -20.252) 24.846 56.316 ( 0.623 -0.084 0.155) 0.647 56.335 ( 0.462 -0.544 -0.193) 0.739 ======================= Grid point 520 (241/424) ======================= q-point: ( 0.40 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 21.573 -7.612 -4.704) 23.355 3.630 ( 1.709 1.397 11.440) 11.651 4.119 ( 4.074 -12.628 -8.024) 15.506 4.830 ( 30.380 7.747 2.698) 31.468 5.501 ( -1.839 -2.126 -11.061) 11.413 5.721 ( 25.960 -8.200 9.218) 28.742 7.059 ( -4.600 -2.956 -8.778) 10.342 7.383 ( 2.278 -6.524 9.019) 11.362 7.843 ( 4.743 14.931 -0.442) 15.673 8.255 ( 1.084 5.111 0.080) 5.226 8.412 ( -3.581 5.347 9.600) 11.557 8.642 ( 5.765 10.911 -1.281) 12.407 8.966 ( -1.315 0.583 -4.762) 4.975 9.740 ( 3.944 9.082 -3.374) 10.460 9.962 ( -16.079 -7.749 11.036) 20.985 10.375 ( -8.458 11.692 -12.352) 18.995 56.325 ( 0.581 -0.270 0.046) 0.643 56.350 ( 0.334 -0.800 -0.107) 0.874 ======================= Grid point 521 (242/424) ======================= q-point: ( 0.47 0.27 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 3.540 6.844 19.229) 20.715 3.822 ( 22.619 -14.287 5.905) 27.397 4.360 ( -1.367 -19.502 -18.859) 27.164 5.008 ( 24.916 7.384 3.679) 26.247 5.422 ( -0.164 3.116 -11.853) 12.257 6.100 ( 19.513 -3.245 8.632) 21.582 6.998 ( -3.067 4.125 -4.259) 6.675 7.479 ( -0.739 2.034 -2.804) 3.542 7.660 ( 4.080 7.119 2.386) 8.545 8.131 ( -2.714 9.620 5.802) 11.557 8.274 ( -3.793 9.148 8.201) 12.858 8.580 ( 7.366 3.517 -8.305) 11.644 8.962 ( 1.977 -0.355 0.250) 2.024 9.609 ( 2.495 9.328 -2.636) 10.009 9.862 ( -11.758 3.980 -2.931) 12.755 10.153 ( -9.090 2.954 2.801) 9.960 56.336 ( 0.549 -0.409 -0.009) 0.685 56.366 ( 0.154 -0.840 -0.080) 0.858 ======================= Grid point 522 (243/424) ======================= q-point: ( 0.53 0.27 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -3.213 9.769 23.310) 25.478 4.372 ( 26.627 -15.200 0.840) 30.672 4.600 ( -4.117 -19.496 -18.329) 27.074 5.080 ( 9.833 7.277 6.096) 13.668 5.401 ( 12.145 2.326 -8.376) 14.935 6.207 ( 8.843 10.552 5.173) 14.707 6.772 ( 2.872 23.536 0.068) 23.711 7.424 ( -3.296 -5.665 -4.922) 8.196 7.649 ( -0.806 2.375 -0.661) 2.593 7.945 ( -1.254 11.186 3.983) 11.940 8.151 ( -2.631 4.130 9.334) 10.540 8.581 ( 7.681 3.728 -8.735) 12.215 9.017 ( 3.425 -2.419 4.333) 6.030 9.480 ( -1.341 7.051 -0.259) 7.182 9.660 ( -5.545 6.032 -7.294) 10.970 10.029 ( -11.315 2.089 4.130) 12.225 56.349 ( 0.514 -0.419 -0.023) 0.663 56.379 ( -0.043 -0.709 -0.090) 0.716 ======================= Grid point 523 (244/424) ======================= q-point: (-0.40 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -3.527 3.497 24.003) 24.511 4.707 ( 4.263 -2.037 -7.605) 8.953 4.773 ( 13.072 -1.362 -8.714) 15.769 5.088 ( -1.557 -5.981 -7.432) 9.666 5.538 ( 16.948 -0.115 8.885) 19.136 6.019 ( 6.360 20.753 -1.265) 21.743 6.370 ( 1.026 25.994 5.871) 26.669 7.511 ( -0.397 -2.043 -2.194) 3.024 7.552 ( -8.607 -2.524 -5.228) 10.382 7.775 ( 0.162 9.545 -0.701) 9.572 8.130 ( 1.849 2.423 10.316) 10.756 8.568 ( 7.930 4.370 -5.496) 10.591 9.133 ( 4.706 -4.217 5.657) 8.481 9.317 ( -9.460 6.853 0.505) 11.692 9.539 ( -1.593 2.139 -7.719) 8.167 9.883 ( -9.481 2.344 0.743) 9.795 56.360 ( 0.471 -0.298 0.000) 0.558 56.387 ( -0.220 -0.429 -0.128) 0.498 ======================= Grid point 524 (245/424) ======================= q-point: (-0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -0.794 -2.037 26.104) 26.195 4.571 ( -0.085 15.546 -1.134) 15.588 4.783 ( 9.499 10.032 -10.923) 17.612 5.205 ( -5.027 -15.175 -14.398) 21.514 5.618 ( 0.212 15.227 1.179) 15.274 5.796 ( 18.860 15.364 1.454) 24.369 6.037 ( -1.691 15.729 15.536) 22.173 7.397 ( -2.552 3.538 -2.356) 4.958 7.612 ( 0.927 -2.854 -5.803) 6.532 7.653 ( -5.037 -0.194 -3.794) 6.309 8.153 ( 4.516 2.566 9.846) 11.132 8.578 ( 8.088 3.346 -1.457) 8.873 9.062 ( -15.045 7.992 -2.267) 17.186 9.250 ( 3.249 -1.053 2.714) 4.362 9.458 ( -1.356 3.844 -3.329) 5.263 9.831 ( -5.139 -6.673 -2.976) 8.933 56.368 ( 0.410 -0.086 0.051) 0.422 56.388 ( -0.321 -0.051 -0.175) 0.369 ======================= Grid point 525 (246/424) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 0.391 8.033 22.373) 23.775 4.259 ( 6.459 25.510 2.948) 26.479 4.695 ( -0.868 2.415 -9.669) 10.004 5.219 ( -2.023 14.892 -8.844) 17.437 5.413 ( 2.711 11.523 -3.874) 12.455 5.496 ( -15.784 -2.283 -14.046) 21.252 6.081 ( 17.600 4.995 28.787) 34.108 7.400 ( 1.153 -3.661 3.475) 5.178 7.557 ( 0.892 3.177 -7.927) 8.587 7.704 ( -1.212 -6.396 -6.021) 8.867 8.189 ( 3.993 2.302 8.900) 10.023 8.610 ( 6.733 1.789 0.750) 7.007 8.749 ( -17.670 7.610 -4.468) 19.751 9.174 ( -3.040 7.160 -7.712) 10.953 9.464 ( 6.467 0.223 6.976) 9.515 9.934 ( -5.404 -12.323 -7.252) 15.286 56.371 ( 0.224 0.170 0.105) 0.300 56.382 ( -0.201 0.343 -0.201) 0.445 ======================= Grid point 526 (247/424) ======================= q-point: (-0.20 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 0.115 21.929 12.370) 25.177 3.920 ( 9.829 27.401 3.155) 29.281 4.252 ( -16.449 37.622 -16.647) 44.307 4.882 ( 1.516 22.425 -10.498) 24.807 5.362 ( -4.355 -23.388 5.202) 24.353 5.697 ( -1.782 -20.470 -3.731) 20.884 6.295 ( 15.858 0.227 27.259) 31.537 7.458 ( 1.082 1.965 -4.029) 4.611 7.533 ( -0.589 -3.151 -0.832) 3.312 7.770 ( 5.554 -1.250 -5.453) 7.883 8.165 ( -5.221 5.174 6.465) 9.789 8.478 ( -10.428 3.341 -5.248) 12.142 8.680 ( 5.342 -2.706 1.792) 6.251 9.015 ( -3.043 3.778 -8.517) 9.802 9.572 ( 9.186 -0.542 9.795) 13.440 10.031 ( -8.568 -11.133 -13.114) 19.218 56.365 ( -0.345 0.557 0.005) 0.655 56.375 ( 0.418 0.542 -0.056) 0.687 ======================= Grid point 527 (248/424) ======================= q-point: (-0.13 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 1.526 25.999 4.794) 26.481 3.227 ( -18.065 45.939 -23.685) 54.751 3.675 ( 9.748 24.032 10.592) 28.014 4.493 ( 5.045 24.557 -12.260) 27.907 5.786 ( -6.131 -27.474 7.547) 29.144 6.046 ( 5.766 -14.384 10.704) 18.834 6.576 ( 10.983 -11.972 16.124) 22.889 7.372 ( -2.226 5.185 -11.505) 12.815 7.555 ( 0.017 -0.346 2.089) 2.118 7.829 ( 10.418 3.876 -5.177) 12.263 7.966 ( -14.623 3.603 3.759) 15.522 8.397 ( -0.883 1.225 -0.207) 1.524 8.828 ( 4.469 -8.528 0.937) 9.674 8.974 ( -1.610 -4.557 -7.028) 8.529 9.734 ( 10.517 -2.904 14.033) 17.775 10.036 ( -12.076 -8.781 -19.720) 24.734 56.349 ( -0.316 0.842 -0.018) 0.899 56.370 ( 0.538 0.696 0.011) 0.879 ======================= Grid point 528 (249/424) ======================= q-point: (-0.07 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -13.173 44.576 -11.984) 48.002 2.594 ( 4.777 18.822 -1.134) 19.451 3.467 ( 13.527 19.781 6.851) 24.924 4.126 ( 10.111 25.128 -11.604) 29.467 6.136 ( -4.028 -17.583 6.821) 19.285 6.192 ( 9.198 10.491 18.508) 23.178 6.941 ( -5.050 -11.946 -9.064) 15.823 7.237 ( 0.254 -4.700 -2.352) 5.262 7.617 ( 2.320 -1.924 3.291) 4.463 7.740 ( -6.084 -3.230 -2.918) 7.481 7.946 ( 7.958 0.681 1.117) 8.065 8.375 ( -0.992 0.578 1.043) 1.551 9.027 ( 2.766 -9.157 -0.003) 9.565 9.057 ( 0.713 -6.690 -4.217) 7.940 9.918 ( -2.753 -7.198 -1.721) 7.896 10.042 ( -1.639 -12.180 -3.785) 12.859 56.332 ( -0.128 0.952 0.038) 0.962 56.363 ( 0.553 0.845 -0.027) 1.011 ======================= Grid point 534 (250/424) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 14.240 0.000 -13.851) 19.866 3.372 ( 4.559 0.000 -23.986) 24.416 4.072 ( 2.737 0.000 23.917) 24.073 5.047 ( 24.228 0.000 6.516) 25.089 5.321 ( 18.327 0.000 -11.948) 21.877 5.641 ( 20.257 0.000 12.322) 23.710 6.971 ( -3.065 -0.000 -7.637) 8.229 7.257 ( 0.051 0.000 8.835) 8.835 8.124 ( 10.527 0.000 3.246) 11.016 8.321 ( 4.319 0.000 -6.282) 7.623 8.494 ( -5.100 -0.000 9.045) 10.384 8.959 ( 5.134 0.000 4.976) 7.150 8.962 ( -4.153 -0.000 -7.218) 8.328 9.695 ( -17.909 -0.000 12.068) 21.595 9.928 ( 3.741 0.000 -0.264) 3.750 10.605 ( -12.758 -0.000 -20.321) 23.994 56.322 ( 0.571 0.000 0.178) 0.598 56.334 ( 0.416 0.000 -0.206) 0.464 ======================= Grid point 535 (251/424) ======================= q-point: ( 0.40 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 19.193 -3.813 -6.438) 20.600 3.495 ( 4.709 -11.464 -15.480) 19.830 4.099 ( -4.816 1.986 17.473) 18.233 5.223 ( 20.433 5.007 2.427) 21.177 5.490 ( 12.695 0.177 -11.780) 17.320 5.911 ( 21.924 -4.939 10.179) 24.671 6.950 ( -1.794 -1.311 -4.324) 4.861 7.332 ( 1.160 -4.984 10.761) 11.916 8.133 ( 7.460 12.205 -2.391) 14.502 8.326 ( 2.187 1.951 -3.451) 4.528 8.455 ( -3.850 1.783 9.767) 10.648 8.893 ( 0.442 6.224 -5.001) 7.996 8.920 ( 0.514 2.944 0.185) 2.994 9.663 ( -13.100 -8.387 9.951) 18.466 9.910 ( 1.528 5.187 -0.924) 5.486 10.371 ( -11.273 5.387 -16.103) 20.381 56.328 ( 0.509 -0.067 0.086) 0.521 56.342 ( 0.309 -0.509 -0.121) 0.608 ======================= Grid point 536 (252/424) ======================= q-point: ( 0.47 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 4.382 -1.593 3.061) 5.578 3.779 ( 18.218 -17.508 -1.768) 25.329 4.076 ( -5.525 -5.614 -0.300) 7.883 5.307 ( 7.524 4.666 0.963) 8.906 5.539 ( 17.789 5.631 -8.266) 20.408 6.276 ( 20.209 -6.644 11.120) 24.004 6.925 ( -3.373 -0.467 -3.670) 5.006 7.456 ( 0.005 -3.477 4.442) 5.641 7.926 ( 3.605 14.624 -2.199) 15.221 8.257 ( -2.021 6.527 4.737) 8.314 8.404 ( -1.461 6.806 6.240) 9.349 8.739 ( 5.081 10.436 -4.519) 12.456 8.952 ( 1.475 -3.516 -2.028) 4.319 9.666 ( -11.526 -4.289 0.423) 12.306 9.794 ( -2.147 8.196 0.889) 8.519 10.150 ( -6.700 5.311 -8.249) 11.880 56.336 ( 0.478 -0.281 0.028) 0.555 56.354 ( 0.130 -0.708 -0.083) 0.724 ======================= Grid point 537 (253/424) ======================= q-point: ( 0.53 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -8.353 7.605 14.410) 18.310 4.168 ( -3.818 -18.243 -17.330) 25.451 4.377 ( 25.988 -19.032 4.452) 32.518 5.242 ( -1.142 6.107 0.671) 6.249 5.634 ( 19.491 5.925 -1.736) 20.446 6.498 ( 11.880 6.601 10.967) 17.464 6.903 ( -3.342 -3.059 -5.778) 7.342 7.390 ( -3.827 6.110 -5.760) 9.228 7.815 ( 9.145 10.839 4.452) 14.864 8.115 ( -3.436 10.550 7.070) 13.157 8.226 ( -4.875 7.172 8.037) 11.823 8.690 ( 8.003 3.167 -8.432) 12.049 9.020 ( 2.290 -2.525 1.409) 3.688 9.580 ( -9.969 -0.891 -5.754) 11.545 9.617 ( -3.838 10.021 1.444) 10.828 10.001 ( -4.872 4.639 -3.376) 7.527 56.347 ( 0.445 -0.422 0.019) 0.613 56.366 ( -0.061 -0.731 -0.103) 0.741 ======================= Grid point 538 (254/424) ======================= q-point: ( 0.60 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -10.185 4.340 18.008) 21.139 4.379 ( -5.502 -19.081 -16.661) 25.922 4.917 ( 25.794 -9.713 -2.140) 27.646 5.109 ( -3.854 6.627 -0.605) 7.691 5.709 ( 9.231 3.600 7.069) 12.172 6.415 ( 9.241 15.850 8.342) 20.154 6.798 ( 0.592 15.945 -7.099) 17.464 7.288 ( -8.802 -4.142 -0.469) 9.739 7.676 ( 4.299 13.497 1.577) 14.252 7.915 ( -2.950 9.466 -1.861) 10.088 8.208 ( 1.527 0.280 13.072) 13.164 8.695 ( 7.682 3.621 -6.555) 10.728 9.104 ( 1.694 -4.717 3.449) 6.084 9.392 ( -7.756 10.778 2.944) 13.601 9.503 ( -3.235 -0.845 -8.461) 9.098 9.857 ( -5.425 5.451 -3.396) 8.407 56.358 ( 0.379 -0.430 0.053) 0.575 56.376 ( -0.206 -0.606 -0.163) 0.660 ======================= Grid point 539 (255/424) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -6.488 -4.588 23.603) 24.905 4.532 ( -8.154 -10.512 -10.333) 16.846 4.955 ( -6.220 1.047 -7.854) 10.073 5.114 ( 16.782 11.268 -9.451) 22.314 5.748 ( -0.915 2.127 8.980) 9.274 6.295 ( 12.557 21.302 -3.339) 24.952 6.433 ( 4.709 21.295 18.084) 28.332 7.299 ( -12.113 -9.455 -5.100) 16.190 7.523 ( 0.705 7.479 -3.129) 8.138 7.742 ( 1.053 7.919 -6.409) 10.241 8.256 ( 2.383 1.183 11.250) 11.560 8.697 ( 5.682 3.037 -3.291) 7.234 9.084 ( -10.892 9.953 0.808) 14.777 9.264 ( 4.005 -2.675 5.646) 7.421 9.484 ( 2.234 0.765 -7.062) 7.446 9.715 ( -6.382 1.294 -3.678) 7.479 56.368 ( 0.210 -0.315 0.115) 0.396 56.381 ( -0.197 -0.356 -0.240) 0.472 ======================= Grid point 540 (256/424) ======================= q-point: (-0.27 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -1.516 -6.829 27.555) 28.430 4.464 ( -8.726 2.397 -0.096) 9.049 4.869 ( 0.393 9.940 -12.799) 16.210 5.035 ( -0.350 -4.200 -10.295) 11.124 5.564 ( -7.256 19.007 -3.539) 20.651 5.833 ( 1.343 29.423 -3.191) 29.626 6.461 ( 16.742 8.861 26.149) 32.289 7.310 ( -9.404 -8.826 -5.132) 13.881 7.436 ( -4.186 0.061 -7.260) 8.380 7.699 ( 8.701 0.209 -7.563) 11.530 8.279 ( 0.003 1.751 9.206) 9.371 8.658 ( -4.747 3.759 -4.742) 7.691 8.810 ( -2.418 11.234 4.718) 12.422 9.268 ( 0.198 7.832 -4.915) 9.248 9.513 ( 5.305 -2.051 4.504) 7.255 9.718 ( -2.626 -7.692 -4.793) 9.435 56.372 ( -0.210 -0.084 0.079) 0.239 56.383 ( 0.154 -0.065 -0.198) 0.260 ======================= Grid point 541 (257/424) ======================= q-point: (-0.20 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( -1.219 11.216 19.615) 22.628 4.373 ( -1.324 8.378 10.163) 13.238 4.588 ( -1.231 25.536 -15.659) 29.980 5.043 ( -17.175 1.153 -7.209) 18.662 5.097 ( -4.793 2.996 -7.026) 9.017 5.537 ( 8.924 9.133 -2.396) 12.992 6.572 ( 13.194 5.323 23.472) 27.447 7.307 ( -13.018 -8.028 -17.852) 23.508 7.459 ( 1.870 -4.837 3.679) 6.359 7.815 ( 10.159 -2.901 -5.025) 11.699 8.202 ( -8.063 6.948 3.055) 11.073 8.480 ( -4.708 4.387 -0.483) 6.453 8.744 ( 4.257 3.580 4.950) 7.446 9.086 ( -0.933 9.577 -5.887) 11.281 9.638 ( 5.855 -3.591 7.287) 10.014 9.809 ( -1.397 -6.312 -7.024) 9.546 56.367 ( -0.411 0.236 -0.060) 0.477 56.385 ( 0.399 0.183 -0.036) 0.440 ======================= Grid point 542 (258/424) ======================= q-point: (-0.13 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 0.530 21.595 11.615) 24.526 3.756 ( -16.394 46.919 -20.830) 53.889 4.166 ( 6.831 20.831 8.188) 23.402 4.866 ( 1.820 18.251 -4.604) 18.911 5.263 ( -6.600 -28.798 3.060) 29.702 5.743 ( 6.133 -21.270 1.381) 22.179 6.680 ( 6.857 1.613 13.516) 15.242 7.259 ( -8.617 -6.233 -15.720) 18.979 7.550 ( 0.477 -2.375 1.778) 3.005 7.897 ( -8.566 2.271 4.769) 10.064 7.996 ( 7.786 6.382 -6.385) 11.922 8.428 ( -1.014 0.985 1.709) 2.218 8.779 ( 3.500 -1.926 2.675) 4.808 8.952 ( 0.946 4.135 -2.425) 4.886 9.793 ( 5.044 -4.463 7.823) 10.322 9.828 ( -2.059 -2.279 -8.560) 9.094 56.357 ( -0.321 0.512 -0.093) 0.612 56.384 ( 0.459 0.422 0.030) 0.624 ======================= Grid point 543 (259/424) ======================= q-point: (-0.07 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -10.604 45.674 -13.737) 48.859 3.014 ( 5.172 22.972 6.422) 24.408 3.935 ( 9.354 19.659 6.064) 22.599 4.575 ( 8.308 20.915 -4.783) 23.007 5.686 ( -5.864 -29.143 2.676) 29.848 6.210 ( 4.688 -21.210 6.290) 22.614 6.717 ( -4.056 -3.358 -4.402) 6.864 7.220 ( -2.648 1.397 -6.799) 7.429 7.573 ( -2.457 -4.554 -3.505) 6.250 7.712 ( -4.659 7.197 9.119) 12.517 8.057 ( 9.816 1.096 -4.468) 10.840 8.406 ( -0.463 1.172 0.613) 1.401 8.887 ( 0.853 -6.711 0.087) 6.765 8.983 ( 4.802 -4.945 1.069) 6.975 9.729 ( -6.007 1.306 -14.953) 16.168 10.005 ( 6.112 -7.245 15.017) 17.758 56.344 ( -0.135 0.699 -0.068) 0.715 56.381 ( 0.488 0.643 0.023) 0.808 ======================= Grid point 550 (260/424) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 12.725 0.000 -13.156) 18.303 3.446 ( 16.371 0.000 -2.562) 16.571 4.079 ( -12.236 -0.000 15.994) 20.138 5.373 ( 4.973 0.000 -4.726) 6.860 5.685 ( 23.104 0.000 -8.932) 24.771 6.068 ( 16.127 0.000 7.559) 17.810 6.970 ( 4.682 0.000 3.943) 6.121 7.329 ( 0.719 0.000 12.893) 12.913 8.296 ( -5.618 -0.000 -5.111) 7.595 8.343 ( 5.935 0.000 -3.488) 6.884 8.467 ( -0.303 -0.000 8.790) 8.796 8.800 ( -1.889 -0.000 -11.893) 12.042 9.061 ( 2.311 0.000 2.271) 3.240 9.507 ( -9.320 -0.000 13.018) 16.010 9.960 ( 0.689 0.000 -3.700) 3.763 10.251 ( -10.059 -0.000 -13.959) 17.206 56.333 ( 0.377 0.000 0.110) 0.392 56.340 ( 0.274 0.000 -0.132) 0.304 ======================= Grid point 551 (261/424) ======================= q-point: ( 0.47 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 10.007 -1.550 -6.706) 12.146 3.719 ( 16.151 -10.787 2.891) 19.636 3.976 ( -9.932 -1.156 8.555) 13.159 5.345 ( -4.027 0.560 -9.259) 10.112 5.843 ( 22.487 5.911 -4.048) 23.601 6.321 ( 11.825 -8.869 6.702) 16.230 6.998 ( 5.632 5.670 7.614) 11.038 7.417 ( 0.473 -3.675 9.432) 10.134 8.102 ( -6.268 8.911 -3.106) 11.329 8.321 ( -4.121 3.137 3.822) 6.437 8.504 ( 5.559 1.808 -2.890) 6.521 8.842 ( 2.058 -6.154 -9.608) 11.595 8.967 ( -0.838 10.659 2.052) 10.887 9.492 ( -9.394 -3.301 7.612) 12.534 9.901 ( -0.595 5.599 -4.028) 6.923 10.127 ( -3.457 2.064 -8.419) 9.332 56.337 ( 0.312 -0.128 0.059) 0.343 56.346 ( 0.130 -0.415 -0.088) 0.444 ======================= Grid point 552 (262/424) ======================= q-point: ( 0.53 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( -8.465 7.632 7.878) 13.855 3.861 ( -2.241 -9.939 -8.739) 13.423 4.329 ( 24.332 -20.270 6.373) 32.304 5.248 ( -7.966 0.511 -7.214) 10.759 5.933 ( 16.837 7.748 -0.073) 18.534 6.562 ( 2.339 -8.808 0.943) 9.162 6.952 ( 4.416 9.592 11.220) 15.408 7.421 ( -2.326 3.303 -3.075) 5.077 8.007 ( 2.989 0.840 5.549) 6.358 8.222 ( -5.024 4.128 7.636) 10.029 8.403 ( -0.432 15.189 -2.434) 15.389 8.807 ( 5.404 5.321 -6.187) 9.788 8.956 ( -0.783 -6.474 -2.435) 6.961 9.429 ( -11.001 -0.493 1.701) 11.142 9.759 ( -1.287 9.088 -2.916) 9.631 10.049 ( 1.757 4.901 -5.271) 7.409 56.344 ( 0.266 -0.357 0.053) 0.448 56.355 ( -0.045 -0.584 -0.103) 0.595 ======================= Grid point 553 (263/424) ======================= q-point: (-0.40 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -15.059 5.873 11.894) 20.068 4.023 ( -0.623 -13.653 -10.804) 17.422 4.944 ( 25.205 -19.185 3.570) 31.876 5.118 ( -9.450 2.407 -4.922) 10.923 5.901 ( 2.465 9.640 4.688) 10.999 6.656 ( 1.328 -2.646 -8.683) 9.174 6.862 ( 2.235 8.105 10.771) 13.664 7.298 ( -3.635 7.830 -0.571) 8.651 7.998 ( -6.227 6.388 -0.709) 8.949 8.032 ( 2.880 19.492 3.262) 19.972 8.252 ( 2.743 -1.034 12.717) 13.051 8.805 ( 7.352 2.942 -7.443) 10.867 9.034 ( -1.500 -5.154 -1.366) 5.539 9.339 ( -8.927 -2.417 -0.031) 9.249 9.571 ( -1.372 10.575 -2.394) 10.929 9.947 ( 2.785 8.904 -5.165) 10.663 56.354 ( 0.118 -0.490 0.091) 0.512 56.363 ( -0.105 -0.622 -0.171) 0.654 ======================= Grid point 554 (264/424) ======================= q-point: (-0.33 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -12.456 -3.543 18.691) 22.738 4.200 ( -3.964 -13.807 -9.914) 17.453 4.926 ( -12.288 4.710 -5.315) 14.193 5.380 ( 19.829 0.569 -7.960) 21.375 5.765 ( -6.335 1.423 11.287) 13.022 6.632 ( 4.298 8.736 -11.297) 14.914 6.804 ( 4.867 8.445 14.059) 17.107 7.091 ( -9.284 5.402 1.844) 10.899 7.686 ( -5.229 13.756 -2.295) 14.894 7.890 ( 2.111 9.700 -0.767) 9.957 8.318 ( 1.052 1.123 8.571) 8.708 8.780 ( 2.487 4.258 -6.100) 7.844 9.081 ( -3.376 -1.850 -0.589) 3.895 9.321 ( -0.729 1.890 9.492) 9.705 9.453 ( 1.983 -1.830 -7.420) 7.895 9.786 ( 2.466 11.815 -4.891) 13.023 56.362 ( -0.222 -0.483 0.084) 0.538 56.372 ( 0.072 -0.545 -0.190) 0.582 ======================= Grid point 555 (265/424) ======================= q-point: (-0.27 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -5.973 -13.846 26.908) 30.845 4.295 ( -9.819 -7.769 -6.046) 13.904 4.718 ( -12.036 0.612 -9.368) 15.264 5.278 ( 2.591 14.353 -5.529) 15.598 5.754 ( -0.770 9.338 -0.478) 9.382 6.289 ( -1.721 25.134 -4.870) 25.660 6.840 ( 12.915 7.158 24.677) 28.758 7.005 ( -11.206 -5.758 -10.726) 16.546 7.459 ( -3.237 6.672 -3.279) 8.108 7.785 ( 4.615 4.215 -5.159) 8.104 8.304 ( -3.121 0.984 4.763) 5.779 8.662 ( -5.941 6.095 -6.037) 10.435 8.991 ( 0.784 8.383 4.697) 9.642 9.344 ( 0.228 1.013 2.674) 2.869 9.566 ( -1.726 -6.981 -5.886) 9.293 9.643 ( 12.160 7.709 2.687) 14.647 56.365 ( -0.456 -0.334 -0.026) 0.566 56.381 ( 0.227 -0.394 -0.092) 0.464 ======================= Grid point 556 (266/424) ======================= q-point: (-0.20 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -2.669 -7.345 26.519) 27.646 4.261 ( -10.984 -7.396 4.712) 14.055 4.641 ( -10.574 -7.989 -14.158) 19.393 5.064 ( 3.646 14.490 -5.483) 15.916 5.287 ( -14.367 30.029 -8.816) 34.436 5.932 ( 6.847 21.870 1.362) 22.957 6.852 ( 1.906 8.069 5.147) 9.759 6.985 ( -5.329 -6.843 -3.801) 9.469 7.415 ( 0.823 -2.665 1.065) 2.986 7.829 ( 5.042 -3.111 -3.662) 6.966 8.247 ( -3.607 3.338 0.277) 4.922 8.466 ( -8.203 4.662 -4.391) 10.407 8.907 ( 4.362 7.511 7.445) 11.440 9.226 ( -2.415 9.102 -3.028) 9.891 9.621 ( 1.341 -5.392 0.756) 5.607 9.781 ( 11.616 -0.476 3.163) 12.049 56.363 ( -0.470 -0.103 -0.113) 0.494 56.388 ( 0.273 -0.186 0.001) 0.331 ======================= Grid point 557 (267/424) ======================= q-point: (-0.13 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -4.459 11.125 14.562) 18.860 4.194 ( -15.784 24.060 -5.256) 29.252 4.521 ( 0.741 21.142 -11.226) 23.949 4.762 ( -7.206 -21.542 -1.165) 22.745 5.029 ( -0.982 1.991 5.745) 6.159 5.735 ( 9.885 9.912 3.239) 14.368 6.711 ( -10.372 0.523 -15.971) 19.051 7.076 ( 3.765 -4.098 6.628) 8.654 7.498 ( -0.190 -4.055 1.040) 4.191 7.870 ( -4.249 0.543 3.027) 5.245 8.152 ( 5.855 5.607 -5.911) 10.033 8.366 ( -6.824 -2.407 -4.293) 8.414 8.868 ( 3.938 5.041 6.554) 9.158 9.066 ( 0.359 7.345 0.993) 7.421 9.750 ( 2.097 -6.773 2.998) 7.698 9.860 ( 7.920 3.719 1.450) 8.869 56.358 ( -0.354 0.143 -0.147) 0.409 56.392 ( 0.300 0.055 0.054) 0.310 ======================= Grid point 558 (268/424) ======================= q-point: (-0.07 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -6.914 32.743 -4.209) 33.729 3.429 ( -3.259 26.437 0.439) 26.640 4.295 ( 3.672 13.907 -2.222) 14.555 4.905 ( 2.299 7.935 -0.157) 8.263 5.178 ( -3.026 -22.896 6.860) 24.093 5.926 ( 8.470 -17.310 6.465) 20.327 6.551 ( -13.726 -3.051 -20.118) 24.545 7.198 ( 3.078 -2.091 3.808) 5.324 7.497 ( -3.765 -0.191 -1.428) 4.031 7.806 ( -1.266 3.558 8.095) 8.933 8.147 ( 6.177 2.056 -6.371) 9.109 8.344 ( -4.298 -4.134 -8.927) 10.736 8.871 ( 2.408 0.732 6.053) 6.555 9.022 ( 4.632 2.069 4.357) 6.688 9.773 ( 3.001 8.071 -3.794) 9.410 9.957 ( 2.769 -8.133 9.778) 13.017 56.351 ( -0.164 0.362 -0.141) 0.421 56.393 ( 0.333 0.307 0.062) 0.457 ======================= Grid point 566 (269/424) ======================= q-point: ( 0.47 0.47 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 19.042 0.000 -3.714) 19.401 3.740 ( -0.519 -0.000 4.964) 4.991 3.883 ( -1.249 -0.000 9.526) 9.608 5.218 ( -11.601 -0.000 -16.883) 20.484 6.122 ( 21.554 0.000 -1.235) 21.589 6.343 ( 3.901 0.000 7.359) 8.329 7.166 ( 9.136 0.000 8.384) 12.400 7.418 ( -0.775 -0.000 13.597) 13.619 8.073 ( -9.778 -0.000 -3.413) 10.357 8.298 ( -7.235 -0.000 4.300) 8.417 8.532 ( 2.579 0.000 -9.214) 9.568 8.799 ( 6.280 0.000 -10.160) 11.944 9.037 ( -5.657 -0.000 0.650) 5.694 9.412 ( -6.659 -0.000 8.069) 10.462 9.925 ( -1.428 -0.000 -4.770) 4.979 10.129 ( 5.072 0.000 -5.368) 7.385 56.338 ( 0.116 0.000 0.071) 0.136 56.344 ( 0.118 0.000 -0.090) 0.148 ======================= Grid point 567 (270/424) ======================= q-point: (-0.47 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -18.050 6.675 5.078) 19.903 3.812 ( 12.549 2.839 0.002) 12.866 4.255 ( 20.686 -19.407 7.773) 29.411 5.056 ( -14.961 -3.730 -16.872) 22.856 6.211 ( 7.892 8.500 3.450) 12.102 6.449 ( 2.082 -6.321 0.806) 6.703 7.204 ( 5.777 8.344 12.778) 16.318 7.438 ( -1.270 0.739 2.694) 3.068 7.997 ( -3.144 -1.700 3.187) 4.788 8.212 ( -8.891 1.291 5.213) 10.388 8.530 ( 0.825 0.538 -12.624) 12.662 8.846 ( 2.667 -1.812 -7.356) 8.032 8.920 ( -2.819 5.254 3.010) 6.680 9.360 ( -6.473 1.183 3.870) 7.634 9.851 ( -2.034 5.058 -3.794) 6.642 10.173 ( 10.818 3.955 -4.712) 12.445 56.341 ( -0.001 -0.229 0.067) 0.238 56.347 ( 0.013 -0.300 -0.095) 0.315 ======================= Grid point 568 (271/424) ======================= q-point: (-0.40 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -19.575 7.118 6.182) 21.727 3.909 ( 7.737 -1.914 -0.405) 7.980 4.822 ( 7.535 -18.385 1.479) 19.924 4.964 ( -1.600 -9.633 -7.989) 12.617 6.046 ( -11.094 9.905 3.048) 15.182 6.558 ( 5.162 -3.557 -7.291) 9.616 7.106 ( 0.092 10.492 14.509) 17.906 7.385 ( -0.489 5.565 -1.182) 5.711 7.987 ( -7.804 1.828 -0.035) 8.016 8.168 ( -4.532 -1.305 10.437) 11.453 8.416 ( 4.080 9.731 -1.440) 10.650 8.869 ( -2.442 -3.146 -7.110) 8.149 8.911 ( 4.281 -1.825 -0.371) 4.668 9.270 ( -4.441 2.413 -0.121) 5.056 9.707 ( -2.248 8.419 -1.495) 8.842 10.166 ( 12.008 9.763 -5.503) 16.426 56.346 ( -0.219 -0.421 0.068) 0.480 56.353 ( 0.022 -0.510 -0.118) 0.524 ======================= Grid point 569 (272/424) ======================= q-point: (-0.33 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -17.772 -0.757 12.955) 22.006 4.022 ( 3.395 -4.753 -0.907) 5.911 4.761 ( -19.066 -2.984 -9.662) 21.581 5.458 ( 21.965 -16.141 -1.084) 27.280 5.732 ( -19.218 7.923 3.003) 21.003 6.622 ( 2.581 -2.072 -12.757) 13.180 6.989 ( -2.206 7.891 14.188) 16.384 7.218 ( -3.956 10.724 1.048) 11.478 7.804 ( -7.447 9.011 -0.496) 11.701 8.073 ( -1.890 9.550 6.557) 11.737 8.380 ( 1.421 3.848 3.631) 5.478 8.833 ( -2.307 2.135 -7.257) 7.909 9.009 ( 3.195 -4.247 -0.072) 5.315 9.259 ( 0.133 -5.199 -0.860) 5.271 9.542 ( -1.135 8.828 1.108) 8.970 10.076 ( 12.903 14.239 -4.370) 19.706 56.350 ( -0.441 -0.499 0.015) 0.666 56.363 ( 0.074 -0.632 -0.093) 0.643 ======================= Grid point 570 (273/424) ======================= q-point: (-0.27 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -11.314 -13.964 23.612) 29.674 4.105 ( -2.417 -4.053 -0.885) 4.801 4.553 ( -19.342 -0.027 -8.737) 21.224 5.402 ( -13.286 7.939 -1.844) 15.587 5.831 ( 8.901 -4.262 -5.525) 11.310 6.518 ( -5.672 10.457 -13.165) 17.744 6.845 ( -6.314 5.557 2.516) 8.780 7.117 ( 3.204 1.442 12.521) 13.004 7.584 ( -0.928 12.211 2.103) 12.426 7.912 ( -0.185 9.618 1.446) 9.728 8.287 ( -5.845 3.262 -1.235) 6.807 8.699 ( -5.292 6.666 -6.661) 10.808 9.097 ( 4.512 0.190 3.013) 5.429 9.357 ( -2.291 -2.404 2.612) 4.225 9.446 ( 0.518 -0.513 -3.421) 3.497 9.990 ( 17.993 13.251 2.283) 22.462 56.353 ( -0.537 -0.475 -0.059) 0.720 56.374 ( 0.077 -0.632 -0.042) 0.638 ======================= Grid point 571 (274/424) ======================= q-point: (-0.20 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -3.987 -21.059 30.596) 37.356 4.067 ( -11.590 -1.130 1.825) 11.787 4.383 ( -13.566 -4.608 -9.749) 17.329 5.177 ( -10.043 4.807 0.567) 11.148 5.632 ( -6.360 25.843 -17.473) 31.837 6.253 ( -0.592 10.547 -5.898) 12.099 6.710 ( -8.103 2.626 -10.608) 13.605 7.199 ( 6.485 4.013 18.794) 20.283 7.429 ( 2.107 6.239 2.241) 6.956 7.822 ( 1.480 0.864 -3.174) 3.607 8.191 ( -7.453 -0.946 -2.161) 7.818 8.494 ( -5.925 8.242 -5.530) 11.559 9.095 ( 4.685 6.935 6.732) 10.741 9.283 ( -5.183 4.269 -2.072) 7.027 9.516 ( 0.156 -6.809 -3.818) 7.808 10.043 ( 20.311 8.214 8.886) 23.642 56.354 ( -0.514 -0.367 -0.122) 0.643 56.384 ( 0.067 -0.525 0.016) 0.529 ======================= Grid point 572 (275/424) ======================= q-point: (-0.13 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( -7.511 0.225 17.827) 19.346 4.102 ( -10.802 -13.058 11.755) 20.625 4.367 ( -6.996 -11.856 -8.133) 15.989 4.926 ( -13.612 27.133 -11.378) 32.418 5.079 ( 0.869 8.734 -4.941) 10.073 6.068 ( 4.168 13.727 0.795) 14.367 6.510 ( -12.019 2.884 -20.230) 23.707 7.214 ( 6.663 5.936 15.230) 17.652 7.446 ( 1.520 -2.382 0.959) 2.984 7.841 ( -1.171 -1.142 0.105) 1.639 8.163 ( -5.015 -4.681 -5.688) 8.912 8.308 ( -3.086 6.163 -4.626) 8.301 9.020 ( 1.387 7.689 5.028) 9.291 9.166 ( -0.729 4.547 0.824) 4.678 9.637 ( 0.106 -8.481 -0.266) 8.486 10.117 ( 16.110 9.922 8.112) 20.586 56.354 ( -0.391 -0.199 -0.161) 0.467 56.392 ( 0.072 -0.342 0.064) 0.356 ======================= Grid point 573 (276/424) ======================= q-point: (-0.07 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -6.561 7.363 10.675) 14.533 3.835 ( -12.129 28.813 -9.405) 32.646 4.383 ( -5.113 0.144 -16.900) 17.657 4.735 ( 0.503 -11.130 9.643) 14.735 5.099 ( 2.787 -5.555 8.529) 10.553 5.957 ( 7.380 5.548 5.965) 10.992 6.289 ( -13.511 -0.661 -21.429) 25.341 7.250 ( 3.281 1.609 7.776) 8.591 7.470 ( -0.687 0.242 -0.318) 0.795 7.841 ( -0.170 -0.223 4.553) 4.562 8.171 ( -5.252 -5.326 -12.515) 14.580 8.213 ( 0.640 2.801 -4.386) 5.244 8.945 ( 0.698 3.564 4.410) 5.713 9.128 ( 3.417 3.273 4.919) 6.825 9.789 ( -0.895 -9.578 4.432) 10.592 10.079 ( 10.735 13.566 4.793) 17.951 56.352 ( -0.201 -0.003 -0.171) 0.264 56.397 ( 0.103 -0.111 0.084) 0.173 ======================= Grid point 582 (277/424) ======================= q-point: (-0.47 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -20.273 -0.000 2.720) 20.454 4.115 ( 17.399 0.000 0.366) 17.402 4.206 ( 14.601 0.000 13.564) 19.929 4.793 ( -16.116 -0.000 -20.278) 25.902 6.237 ( -16.731 -0.000 2.093) 16.861 6.504 ( 13.392 0.000 3.008) 13.726 7.395 ( 8.318 0.000 6.450) 10.526 7.397 ( -8.471 -0.000 7.274) 11.165 7.959 ( -0.796 -0.000 1.778) 1.948 8.128 ( -11.010 -0.000 4.599) 11.932 8.459 ( -1.702 -0.000 -13.244) 13.353 8.878 ( 6.291 0.000 -9.367) 11.284 8.930 ( -5.131 -0.000 8.880) 10.256 9.333 ( -3.677 -0.000 2.855) 4.655 9.856 ( -2.795 -0.000 -3.375) 4.382 10.339 ( 16.252 0.000 -6.205) 17.396 56.338 ( -0.173 -0.000 0.066) 0.185 56.344 ( -0.037 -0.000 -0.086) 0.094 ======================= Grid point 583 (278/424) ======================= q-point: (-0.40 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -21.708 5.638 2.173) 22.533 4.087 ( 8.587 8.449 4.436) 12.837 4.514 ( -12.316 -9.524 -8.676) 17.823 4.799 ( 14.720 -17.562 0.474) 22.921 5.989 ( -22.772 4.965 -1.178) 23.337 6.596 ( 3.210 0.409 -0.162) 3.240 7.246 ( -7.333 6.938 7.569) 12.617 7.466 ( 2.573 3.508 1.352) 4.556 7.946 ( -4.435 2.213 1.437) 5.161 8.089 ( -4.711 -5.194 9.057) 11.455 8.455 ( -0.260 -4.558 -10.279) 11.247 8.832 ( -1.115 5.273 2.625) 5.995 8.955 ( 3.375 -0.932 1.012) 3.645 9.290 ( -0.907 2.685 -0.879) 2.967 9.781 ( -3.066 4.335 -1.378) 5.486 10.440 ( 17.458 6.484 -8.153) 20.330 56.338 ( -0.346 -0.204 0.063) 0.406 56.346 ( -0.077 -0.327 -0.093) 0.349 ======================= Grid point 584 (279/424) ======================= q-point: (-0.33 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -21.642 2.588 7.216) 22.960 4.080 ( 3.102 1.407 3.707) 5.034 4.426 ( -17.372 -5.351 -10.759) 21.123 5.328 ( 13.368 -20.487 4.044) 24.794 5.642 ( -20.716 6.013 -5.516) 22.265 6.572 ( -7.303 -1.819 -4.602) 8.821 7.094 ( -4.794 7.158 9.577) 12.882 7.336 ( -3.943 10.143 -2.855) 11.251 7.845 ( -4.457 3.891 2.404) 6.386 8.142 ( -2.867 -0.266 6.366) 6.987 8.497 ( 3.089 2.995 -0.137) 4.305 8.761 ( -3.344 -0.488 -1.115) 3.559 9.020 ( 4.366 -1.777 3.198) 5.697 9.236 ( 1.658 2.301 -5.470) 6.162 9.659 ( -2.291 6.790 2.048) 7.453 10.442 ( 18.045 11.963 -7.498) 22.912 56.338 ( -0.506 -0.358 0.024) 0.620 56.352 ( -0.094 -0.598 -0.077) 0.610 ======================= Grid point 585 (280/424) ======================= q-point: (-0.27 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -16.650 -10.699 19.023) 27.451 4.111 ( 0.044 -1.465 3.061) 3.393 4.264 ( -19.985 -0.917 -7.470) 21.355 5.269 ( -24.092 1.899 -1.720) 24.228 5.777 ( 10.334 -11.063 -10.967) 18.694 6.484 ( -13.468 -0.642 -6.448) 14.946 6.951 ( -2.648 9.221 6.299) 11.477 7.127 ( -5.354 4.293 0.020) 6.862 7.755 ( 0.063 5.472 3.577) 6.538 8.079 ( -0.914 7.130 6.545) 9.722 8.355 ( -1.933 12.386 -2.496) 12.782 8.716 ( -3.898 3.793 -3.696) 6.576 9.127 ( 4.332 -3.886 4.427) 7.311 9.249 ( 0.743 -4.314 -7.014) 8.268 9.533 ( -1.276 7.587 4.273) 8.801 10.412 ( 20.656 12.963 -1.731) 24.448 56.339 ( -0.578 -0.465 -0.031) 0.742 56.362 ( -0.130 -0.742 -0.045) 0.755 ======================= Grid point 586 (281/424) ======================= q-point: (-0.20 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -7.615 -24.758 30.145) 39.745 4.006 ( -18.549 5.152 -0.521) 19.258 4.140 ( -6.156 -4.905 -1.757) 8.065 5.046 ( -18.381 -1.481 -0.947) 18.464 5.806 ( -4.201 7.892 -23.501) 25.144 6.240 ( -15.070 4.555 -10.320) 18.825 6.807 ( 1.438 10.412 3.761) 11.164 7.158 ( -2.005 -9.315 5.794) 11.152 7.681 ( 3.839 8.791 6.087) 11.361 7.931 ( 1.480 12.260 3.057) 12.722 8.140 ( -4.473 5.725 -4.810) 8.713 8.548 ( -5.622 7.915 -3.367) 10.276 9.216 ( 0.704 -1.589 1.521) 2.310 9.294 ( 1.109 1.735 -1.966) 2.847 9.425 ( -2.185 1.254 -0.110) 2.521 10.451 ( 22.468 10.717 6.255) 25.667 56.341 ( -0.547 -0.498 -0.086) 0.745 56.373 ( -0.169 -0.765 -0.001) 0.784 ======================= Grid point 587 (282/424) ======================= q-point: (-0.13 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( -4.255 -17.958 27.772) 33.345 3.791 ( -17.390 -7.522 5.262) 19.664 4.157 ( -3.423 -5.169 -0.910) 6.266 4.897 ( -16.563 -0.332 -1.733) 16.657 5.355 ( -6.817 23.357 -23.893) 34.101 6.080 ( -10.523 -2.766 -13.379) 17.245 6.608 ( 0.018 16.077 -0.267) 16.079 7.300 ( -1.479 -5.158 5.878) 7.959 7.559 ( 4.054 10.526 6.127) 12.836 7.833 ( 1.637 1.616 -1.912) 2.991 8.052 ( -2.375 0.628 -2.192) 3.292 8.361 ( -4.977 6.474 -2.631) 8.579 9.148 ( -4.516 6.531 -2.153) 8.227 9.238 ( 3.682 4.555 4.807) 7.577 9.485 ( -1.690 -8.307 -2.898) 8.959 10.515 ( 19.537 11.989 9.239) 24.714 56.344 ( -0.421 -0.450 -0.129) 0.629 56.383 ( -0.186 -0.689 0.045) 0.715 ======================= Grid point 588 (283/424) ======================= q-point: (-0.07 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -11.455 0.610 10.476) 15.535 3.903 ( -10.685 -3.876 3.825) 11.992 4.234 ( -5.960 -2.076 -11.071) 12.743 4.721 ( -1.415 -1.810 7.192) 7.550 5.050 ( -0.655 1.769 -4.927) 5.276 5.978 ( -8.671 -0.994 -16.038) 18.259 6.326 ( -0.768 14.976 2.121) 15.145 7.311 ( -2.316 1.487 3.877) 4.754 7.513 ( 2.743 2.939 2.290) 4.626 7.844 ( 1.451 -0.674 1.153) 1.972 8.030 ( -1.651 -0.963 -6.282) 6.566 8.237 ( -2.773 2.670 -3.218) 5.017 9.015 ( -1.575 4.432 0.848) 4.779 9.220 ( 2.406 3.046 3.977) 5.558 9.608 ( -3.167 -10.152 -0.133) 10.635 10.483 ( 14.090 16.464 7.746) 23.013 56.346 ( -0.230 -0.328 -0.154) 0.429 56.392 ( -0.166 -0.533 0.077) 0.564 ======================= Grid point 598 (284/424) ======================= q-point: (-0.40 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -22.549 -0.000 0.503) 22.555 4.008 ( -23.766 -0.000 -17.340) 29.420 4.573 ( 12.066 0.000 16.698) 20.602 4.739 ( 17.532 0.000 -1.725) 17.617 5.764 ( -26.886 -0.000 -3.504) 27.113 6.534 ( -15.669 -0.000 -2.446) 15.859 7.256 ( -3.065 -0.000 3.944) 4.995 7.556 ( 3.955 0.000 3.919) 5.568 7.956 ( -9.250 -0.000 8.045) 12.259 8.006 ( 2.701 0.000 3.214) 4.198 8.351 ( -1.593 -0.000 -9.639) 9.770 8.923 ( 2.541 0.000 -6.574) 7.048 8.961 ( 0.784 0.000 15.330) 15.350 9.315 ( 1.974 0.000 -3.257) 3.809 9.780 ( -3.179 -0.000 -0.172) 3.184 10.654 ( 18.795 0.000 -11.540) 22.054 56.332 ( -0.453 -0.000 0.098) 0.464 56.341 ( -0.183 -0.000 -0.123) 0.221 ======================= Grid point 599 (285/424) ======================= q-point: (-0.33 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -23.777 4.377 2.588) 24.314 3.780 ( -26.940 -11.073 -17.284) 33.869 4.544 ( 10.788 13.949 11.411) 21.004 5.141 ( 7.546 -15.969 5.195) 18.411 5.461 ( -20.568 -0.083 -7.364) 21.847 6.322 ( -26.996 -4.212 -4.179) 27.640 7.213 ( 0.490 5.555 4.691) 7.287 7.478 ( -1.572 11.510 -0.202) 11.619 7.860 ( -5.656 2.555 4.891) 7.902 8.093 ( 0.104 -3.887 2.665) 4.714 8.423 ( 1.671 -10.261 -2.576) 10.711 8.851 ( 1.086 7.672 1.827) 7.961 9.043 ( 2.299 -1.313 10.305) 10.640 9.298 ( 3.033 3.594 -7.569) 8.911 9.726 ( -1.907 3.344 2.638) 4.666 10.756 ( 18.945 6.269 -12.642) 23.623 56.328 ( -0.576 -0.151 0.089) 0.602 56.342 ( -0.238 -0.396 -0.122) 0.478 ======================= Grid point 600 (286/424) ======================= q-point: (-0.27 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -21.402 -5.224 13.643) 25.913 3.691 ( -26.728 -16.360 -15.772) 35.082 4.434 ( 5.339 14.768 11.455) 19.438 5.028 ( -24.887 1.157 -1.074) 24.937 5.618 ( 3.464 -12.992 -11.098) 17.434 6.158 ( -25.304 -10.856 -1.334) 27.566 7.104 ( -1.118 8.212 0.125) 8.289 7.228 ( -2.614 13.450 2.262) 13.887 7.795 ( -3.320 1.418 3.280) 4.877 8.122 ( -0.989 -0.422 -0.414) 1.152 8.544 ( 1.926 4.548 0.662) 4.983 8.761 ( 2.422 4.226 4.079) 6.354 9.097 ( -0.519 -0.652 4.266) 4.346 9.237 ( 2.299 2.025 -6.695) 7.363 9.655 ( 0.197 5.934 4.917) 7.709 10.792 ( 20.250 8.983 -8.697) 23.799 56.326 ( -0.631 -0.334 0.042) 0.715 56.348 ( -0.299 -0.679 -0.092) 0.748 ======================= Grid point 601 (287/424) ======================= q-point: (-0.20 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -12.242 -22.957 28.293) 38.436 3.631 ( -26.483 -13.340 -12.662) 32.243 4.237 ( -4.202 11.394 7.634) 14.344 4.830 ( -14.592 -0.897 2.475) 14.828 5.660 ( -13.247 -6.866 -20.709) 25.524 6.049 ( -21.670 -0.876 -8.175) 23.177 7.013 ( 4.533 2.311 1.358) 5.266 7.057 ( -1.667 6.227 6.191) 8.938 7.757 ( -2.416 1.096 3.099) 4.080 8.101 ( 0.615 2.537 0.292) 2.626 8.333 ( 1.257 18.860 -2.750) 19.100 8.673 ( 0.593 11.723 2.062) 11.917 9.109 ( -4.479 -5.570 -5.084) 8.771 9.276 ( 1.615 -3.085 0.842) 3.582 9.551 ( 0.983 9.473 4.527) 10.545 10.850 ( 21.763 8.534 -0.669) 23.386 56.327 ( -0.589 -0.494 -0.010) 0.768 56.357 ( -0.363 -0.839 -0.051) 0.916 ======================= Grid point 602 (288/424) ======================= q-point: (-0.13 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -3.192 -31.958 33.686) 46.543 3.489 ( -25.360 -5.962 -4.766) 26.484 4.112 ( -3.585 -0.502 3.476) 5.019 4.710 ( -12.666 1.246 0.748) 12.749 5.462 ( -11.653 8.832 -27.823) 31.431 5.786 ( -23.113 -6.208 -8.665) 25.453 6.894 ( 3.210 14.497 5.112) 15.703 7.167 ( 1.026 -9.153 1.143) 9.281 7.705 ( -3.952 4.157 3.788) 6.874 7.975 ( 0.729 13.933 -0.696) 13.970 8.125 ( 5.284 4.681 -4.065) 8.146 8.461 ( -1.804 12.786 2.387) 13.132 9.122 ( -4.497 -1.977 -4.802) 6.870 9.330 ( -4.212 -4.810 -1.902) 6.670 9.418 ( 3.728 9.302 4.494) 10.983 10.926 ( 19.834 10.256 4.903) 22.861 56.330 ( -0.451 -0.581 -0.057) 0.738 56.367 ( -0.409 -0.895 -0.001) 0.984 ======================= Grid point 603 (289/424) ======================= q-point: (-0.07 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -19.470 -4.642 5.111) 20.658 3.631 ( -4.716 -21.331 15.457) 26.761 4.188 ( 2.470 -0.960 2.222) 3.458 4.533 ( -13.875 -7.101 -4.871) 16.330 5.130 ( -3.712 9.739 -12.291) 16.115 5.729 ( -16.254 -11.437 -9.271) 21.930 6.627 ( 1.089 21.316 0.103) 21.344 7.268 ( -2.409 -3.433 -0.589) 4.235 7.575 ( -3.828 4.576 3.415) 6.874 7.872 ( 2.722 2.019 -0.934) 3.516 8.128 ( 9.361 5.018 -1.513) 10.729 8.254 ( -4.773 8.240 1.145) 9.591 9.050 ( -3.333 2.889 -2.124) 4.895 9.306 ( -0.469 2.733 0.824) 2.893 9.417 ( -2.847 -5.760 -0.529) 6.446 10.915 ( 14.552 15.238 5.543) 21.788 56.336 ( -0.248 -0.569 -0.093) 0.627 56.377 ( -0.413 -0.858 0.047) 0.954 ======================= Grid point 614 (290/424) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -24.794 -0.000 0.668) 24.803 3.308 ( -31.903 -0.000 -19.114) 37.191 4.867 ( 5.783 0.000 15.613) 16.649 5.037 ( -8.470 -0.000 5.820) 10.277 5.226 ( -4.284 -0.000 -11.163) 11.957 5.941 ( -34.510 -0.000 -3.478) 34.685 7.262 ( -1.159 -0.000 -1.488) 1.886 7.595 ( -1.120 -0.000 -0.175) 1.134 7.827 ( -8.065 -0.000 7.961) 11.333 8.089 ( 3.829 0.000 1.833) 4.246 8.324 ( 2.649 0.000 0.331) 2.670 8.917 ( -0.322 -0.000 -2.063) 2.088 9.112 ( 3.786 0.000 17.157) 17.570 9.343 ( 3.674 0.000 -9.502) 10.188 9.751 ( -0.193 -0.000 4.226) 4.231 10.952 ( 18.279 0.000 -16.647) 24.723 56.321 ( -0.685 -0.000 0.162) 0.703 56.335 ( -0.302 -0.000 -0.189) 0.356 ======================= Grid point 615 (291/424) ======================= q-point: (-0.27 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -24.840 0.155 7.852) 26.052 3.064 ( -31.588 -15.825 -18.121) 39.706 4.684 ( -21.827 11.791 -0.633) 24.816 4.876 ( -4.073 3.120 12.398) 13.418 5.376 ( -7.575 -7.001 -10.272) 14.557 5.719 ( -18.052 -12.634 2.192) 22.143 7.173 ( -4.488 5.645 -7.311) 10.270 7.460 ( -1.028 11.890 4.598) 12.789 7.771 ( -5.624 0.086 4.117) 6.971 8.106 ( 1.288 0.825 -1.304) 2.010 8.500 ( 4.050 -10.443 5.445) 12.454 8.878 ( 0.691 3.591 0.480) 3.688 9.166 ( 2.435 4.118 12.496) 13.381 9.303 ( 3.087 4.973 -9.043) 10.772 9.753 ( 1.924 2.766 5.950) 6.837 11.055 ( 18.348 3.494 -16.059) 24.632 56.316 ( -0.733 -0.166 0.155) 0.768 56.335 ( -0.363 -0.412 -0.187) 0.580 ======================= Grid point 616 (292/424) ======================= q-point: (-0.20 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -17.245 -17.783 25.250) 35.372 3.016 ( -29.034 -20.923 -16.918) 39.584 4.253 ( -26.087 7.881 -3.762) 27.510 4.855 ( 0.652 3.649 17.437) 17.827 5.225 ( -27.543 -7.834 -11.571) 30.885 5.800 ( -9.953 -5.285 -10.491) 15.396 7.017 ( -1.946 2.920 -5.915) 6.877 7.291 ( 1.724 11.538 10.098) 15.430 7.734 ( -4.064 -0.421 1.835) 4.479 8.101 ( -0.175 -0.226 -2.195) 2.214 8.590 ( 1.287 7.378 1.991) 7.750 8.866 ( 3.959 1.031 2.331) 4.709 9.037 ( -2.043 10.604 -6.013) 12.360 9.274 ( 1.664 1.027 3.741) 4.221 9.721 ( 2.697 6.753 6.106) 9.495 11.150 ( 19.596 3.691 -9.515) 22.094 56.313 ( -0.677 -0.395 0.107) 0.791 56.339 ( -0.445 -0.700 -0.143) 0.842 ======================= Grid point 617 (293/424) ======================= q-point: (-0.13 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -5.633 -33.441 34.751) 48.556 3.011 ( -26.627 -17.327 -10.661) 33.509 3.939 ( -21.692 -3.366 -5.663) 22.671 4.821 ( 3.541 12.462 15.270) 20.026 5.088 ( -29.336 -17.364 -12.491) 36.306 5.558 ( -17.338 7.826 -20.688) 28.104 7.039 ( 0.889 -3.532 1.210) 3.838 7.183 ( 5.019 8.477 7.652) 12.474 7.702 ( -4.123 0.482 1.692) 4.483 8.084 ( -2.657 1.442 -0.858) 3.142 8.362 ( 3.054 18.196 -3.642) 18.807 8.746 ( 4.775 17.354 0.302) 18.002 8.974 ( -4.530 -6.899 -5.232) 9.772 9.266 ( -2.479 1.416 1.586) 3.266 9.625 ( 2.841 9.896 5.156) 11.515 11.261 ( 18.619 5.691 -2.522) 19.632 56.315 ( -0.517 -0.606 0.057) 0.799 56.347 ( -0.519 -0.885 -0.081) 1.029 ======================= Grid point 618 (294/424) ======================= q-point: (-0.07 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -24.558 -12.977 -1.858) 27.838 3.242 ( -1.591 -29.149 25.144) 38.528 3.957 ( -10.408 -22.547 -2.749) 24.985 4.523 ( -6.880 21.039 -12.130) 25.241 5.121 ( -14.331 -12.960 -1.006) 19.348 5.269 ( -15.418 -3.449 -7.301) 17.404 6.986 ( 3.421 15.224 4.005) 16.109 7.196 ( 1.508 -2.256 -2.064) 3.409 7.617 ( -5.678 4.673 3.785) 8.271 7.955 ( -2.117 6.315 -0.378) 6.672 8.216 ( 3.978 4.106 -3.083) 6.496 8.519 ( 6.286 16.916 1.212) 18.087 9.012 ( -3.268 -3.341 -4.612) 6.566 9.200 ( -6.609 -0.951 -1.743) 6.901 9.505 ( 1.894 9.061 3.580) 9.925 11.289 ( 13.541 11.480 -0.145) 17.753 56.322 ( -0.279 -0.720 0.008) 0.773 56.357 ( -0.561 -0.985 -0.011) 1.133 ======================= Grid point 630 (295/424) ======================= q-point: (-0.27 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -25.678 -0.000 6.106) 26.394 2.514 ( -35.054 -0.000 -15.811) 38.454 4.468 ( -30.483 -0.000 -3.876) 30.728 4.729 ( -32.963 -0.000 1.624) 33.003 5.427 ( -8.479 -0.000 10.611) 13.583 5.438 ( 12.225 0.000 -3.582) 12.739 7.145 ( -5.853 -0.000 -10.396) 11.931 7.526 ( -3.834 -0.000 -4.204) 5.690 7.726 ( -6.290 -0.000 8.004) 10.180 8.161 ( 1.539 0.000 0.109) 1.543 8.464 ( 6.796 0.000 11.485) 13.345 8.892 ( -1.501 -0.000 0.205) 1.515 9.288 ( 3.574 0.000 15.248) 15.661 9.369 ( 6.202 0.000 -12.390) 13.855 9.823 ( 3.334 0.000 8.243) 8.891 11.201 ( 16.650 0.000 -20.430) 26.356 56.307 ( -0.828 -0.000 0.245) 0.863 56.327 ( -0.365 -0.000 -0.269) 0.454 ======================= Grid point 631 (296/424) ======================= q-point: (-0.20 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -21.572 -9.547 20.899) 31.516 2.301 ( -32.723 -19.935 -15.799) 41.447 4.045 ( -33.266 7.526 -4.496) 34.402 4.473 ( -39.798 -14.567 -0.216) 42.381 5.285 ( 5.933 11.786 11.334) 17.394 5.622 ( -1.728 -4.927 -8.833) 10.260 7.019 ( -3.926 2.876 -8.950) 10.187 7.448 ( -2.279 3.910 0.962) 4.626 7.684 ( -5.132 0.064 4.456) 6.797 8.123 ( -0.668 3.069 0.340) 3.160 8.614 ( 2.635 -3.209 9.422) 10.297 8.876 ( -1.077 0.342 -0.523) 1.246 9.266 ( 4.520 11.012 -0.776) 11.929 9.372 ( 6.036 4.004 -0.663) 7.274 9.863 ( 4.295 3.714 10.312) 11.772 11.315 ( 16.844 -0.883 -17.804) 24.525 56.301 ( -0.802 -0.242 0.247) 0.873 56.325 ( -0.403 -0.376 -0.268) 0.613 ======================= Grid point 632 (297/424) ======================= q-point: (-0.13 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -9.470 -30.615 33.228) 46.163 2.335 ( -26.710 -26.311 -12.287) 39.455 3.608 ( -33.476 0.363 -4.839) 33.826 4.375 ( -36.258 -21.568 -1.674) 42.221 5.195 ( 8.552 15.995 11.831) 21.656 5.459 ( -13.084 6.292 -20.486) 25.108 6.998 ( 1.947 -3.116 -1.424) 3.941 7.365 ( 0.385 6.090 6.694) 9.058 7.651 ( -4.624 -1.140 0.474) 4.786 8.068 ( -3.699 1.405 0.552) 3.995 8.592 ( -2.793 8.688 2.395) 9.435 8.847 ( -2.453 -0.637 -3.594) 4.397 9.081 ( 6.659 15.545 -4.316) 17.454 9.342 ( 3.720 6.445 1.087) 7.520 9.832 ( 3.983 9.065 9.653) 13.828 11.467 ( 16.826 -0.433 -10.790) 19.994 56.300 ( -0.646 -0.547 0.211) 0.872 56.329 ( -0.466 -0.653 -0.211) 0.829 ======================= Grid point 633 (298/424) ======================= q-point: (-0.07 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -24.356 -22.910 -9.077) 34.648 2.797 ( -0.867 -34.078 32.248) 46.925 3.404 ( -26.023 -18.537 -6.913) 32.689 4.438 ( -27.144 -26.587 -2.108) 38.054 4.801 ( -11.333 23.806 -23.337) 35.211 5.317 ( 3.622 4.906 12.749) 14.132 7.086 ( 2.928 -3.024 0.966) 4.319 7.301 ( 2.716 6.842 4.330) 8.541 7.616 ( -4.424 0.503 1.049) 4.574 7.978 ( -7.561 3.046 0.558) 8.171 8.376 ( -1.237 11.116 -1.114) 11.239 8.816 ( 2.775 6.012 -4.962) 8.274 8.927 ( 2.221 5.183 -0.341) 5.650 9.231 ( 0.018 9.053 -2.583) 9.414 9.713 ( 2.460 12.145 6.932) 14.199 11.553 ( 12.021 6.029 -7.247) 15.277 56.307 ( -0.382 -0.807 0.166) 0.908 56.336 ( -0.524 -0.853 -0.124) 1.009 ======================= Grid point 646 (299/424) ======================= q-point: (-0.20 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -21.254 -0.000 21.240) 30.048 1.716 ( -35.283 -0.000 -7.205) 36.011 3.824 ( -50.417 -0.000 2.262) 50.468 3.828 ( -28.979 -0.000 -5.652) 29.525 5.429 ( -2.502 -0.000 4.944) 5.541 5.610 ( 7.017 0.000 -5.572) 8.960 6.965 ( -4.389 -0.000 -9.377) 10.353 7.416 ( -3.174 -0.000 -6.055) 6.836 7.664 ( -4.461 -0.000 8.035) 9.190 8.120 ( -5.636 -0.000 0.172) 5.639 8.695 ( 7.170 0.000 14.495) 16.172 8.857 ( -2.141 -0.000 0.270) 2.158 9.420 ( 1.370 0.000 10.830) 10.916 9.456 ( 9.897 0.000 -18.397) 20.891 9.996 ( 7.627 0.000 15.880) 17.617 11.398 ( 14.867 0.000 -21.062) 25.781 56.291 ( -0.848 -0.000 0.329) 0.909 56.318 ( -0.349 -0.000 -0.347) 0.492 ======================= Grid point 647 (300/424) ======================= q-point: (-0.13 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -29.361 -21.334 -3.742) 36.486 1.700 ( -11.292 -24.720 33.129) 42.850 3.242 ( -44.945 4.029 1.024) 45.137 3.687 ( -32.690 -16.652 -2.441) 36.768 5.373 ( -8.482 2.936 -9.459) 13.040 5.535 ( 5.537 12.340 -2.523) 13.759 6.949 ( 0.502 -4.027 -3.016) 5.056 7.390 ( -1.659 -1.250 -3.842) 4.367 7.624 ( -3.889 2.066 6.984) 8.257 8.038 ( -7.910 1.163 0.927) 8.048 8.709 ( -0.612 8.449 7.804) 11.517 8.841 ( -0.444 0.722 0.166) 0.864 9.334 ( 2.633 10.998 -3.928) 11.971 9.488 ( 6.273 3.270 -7.718) 10.470 10.079 ( 9.515 7.755 16.967) 20.942 11.538 ( 14.925 -4.806 -16.499) 22.762 56.286 ( -0.752 -0.351 0.344) 0.898 56.316 ( -0.335 -0.323 -0.341) 0.578 ======================= Grid point 648 (301/424) ======================= q-point: (-0.07 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -24.263 -29.272 -12.094) 39.898 2.314 ( 1.233 -37.195 37.444) 52.793 2.822 ( -41.431 -8.429 0.131) 42.280 3.728 ( -24.857 -25.986 2.752) 36.065 4.947 ( -14.630 20.992 -35.007) 43.361 5.518 ( 8.285 4.228 17.057) 19.428 7.054 ( 3.197 -5.243 -0.719) 6.183 7.382 ( -0.342 0.585 -0.141) 0.693 7.581 ( -2.574 0.499 4.746) 5.422 7.926 ( -10.070 1.820 0.656) 10.254 8.494 ( -7.549 10.457 1.262) 12.959 8.838 ( 2.013 0.957 2.396) 3.273 9.148 ( 1.709 12.490 -3.458) 13.072 9.418 ( 4.714 9.271 -9.081) 13.808 10.021 ( 7.942 15.688 14.302) 22.666 11.688 ( 10.914 0.009 -12.917) 16.910 56.290 ( -0.530 -0.754 0.338) 0.981 56.319 ( -0.330 -0.568 -0.276) 0.713 ======================= Grid point 662 (302/424) ======================= q-point: (-0.13 -0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -25.248 -0.000 13.738) 28.744 1.471 ( -8.179 -0.000 41.979) 42.768 2.788 ( -52.466 -0.000 8.715) 53.185 3.229 ( -25.762 -0.000 -6.112) 26.477 5.294 ( -9.121 -0.000 -10.807) 14.141 5.650 ( 1.984 0.000 -12.793) 12.946 6.900 ( 0.960 0.000 -0.084) 0.963 7.360 ( 1.116 0.000 -3.174) 3.365 7.630 ( -3.539 -0.000 7.663) 8.441 7.955 ( -9.986 -0.000 1.020) 10.038 8.805 ( -2.753 -0.000 -0.878) 2.890 8.868 ( 2.163 0.000 4.779) 5.246 9.457 ( -2.428 -0.000 4.340) 4.973 9.499 ( 5.368 0.000 -21.233) 21.901 10.335 ( 14.183 0.000 20.180) 24.666 11.582 ( 13.928 0.000 -14.528) 20.126 56.277 ( -0.722 -0.000 0.408) 0.829 56.309 ( -0.245 -0.000 -0.410) 0.477 ======================= Grid point 663 (303/424) ======================= q-point: (-0.07 -0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -17.594 -14.355 10.825) 25.156 1.860 ( -0.963 -31.200 39.137) 50.061 2.306 ( -45.134 -1.874 13.329) 47.098 3.124 ( -21.215 -18.905 0.146) 28.417 5.009 ( -13.123 15.369 -27.540) 34.160 5.631 ( 2.744 -1.543 -4.119) 5.184 6.980 ( 2.680 -5.639 1.234) 6.364 7.380 ( 2.470 -0.133 -0.280) 2.490 7.602 ( -2.533 1.577 7.623) 8.186 7.847 ( -9.781 1.035 0.384) 9.843 8.611 ( -8.515 13.919 -2.058) 16.446 8.884 ( 0.736 -0.259 2.562) 2.678 9.320 ( -1.281 9.531 -4.515) 10.624 9.503 ( 1.224 1.042 -13.267) 13.364 10.431 ( 13.246 13.055 19.075) 26.641 11.727 ( 11.241 -3.109 -11.872) 16.642 56.275 ( -0.559 -0.459 0.439) 0.846 56.308 ( -0.168 -0.302 -0.397) 0.526 ======================= Grid point 678 (304/424) ======================= q-point: (-0.07 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 7.984 0.000 33.804) 34.734 1.562 ( -23.680 -0.000 26.494) 35.534 2.004 ( -17.363 -0.000 42.190) 45.623 2.730 ( -19.128 -0.000 -3.330) 19.416 4.962 ( -12.293 -0.000 -23.026) 26.103 5.536 ( -2.680 -0.000 -22.908) 23.064 6.990 ( 5.742 0.000 6.380) 8.584 7.423 ( 3.669 0.000 3.087) 4.794 7.608 ( -2.811 -0.000 7.118) 7.653 7.770 ( -6.184 -0.000 -1.003) 6.265 8.738 ( -2.722 -0.000 -2.275) 3.547 8.749 ( -13.427 -0.000 -8.593) 15.942 9.379 ( -5.319 -0.000 -0.964) 5.406 9.441 ( 0.910 0.000 -18.196) 18.219 10.752 ( 13.517 0.000 19.947) 24.096 11.795 ( 11.407 0.000 -5.950) 12.865 56.267 ( -0.443 -0.000 0.487) 0.658 56.303 ( -0.072 -0.000 -0.454) 0.459 ======================= Grid point 679 (305/424) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -8.980 -0.000 11.571) 14.647 1.610 ( 9.610 0.000 -7.192) 12.003 3.039 ( 10.874 0.000 34.444) 36.120 3.397 ( 2.744 0.000 30.906) 31.027 3.976 ( -6.024 -0.000 -15.931) 17.032 4.543 ( -8.217 -0.000 -40.943) 41.760 7.341 ( 8.865 0.000 6.444) 10.960 7.443 ( -6.987 -0.000 -2.697) 7.490 7.713 ( -3.553 -0.000 3.600) 5.058 7.765 ( 8.173 0.000 -1.877) 8.386 8.463 ( -5.185 -0.000 5.654) 7.671 8.583 ( -0.227 -0.000 -5.617) 5.621 9.179 ( -6.925 -0.000 -2.239) 7.278 9.185 ( 4.385 0.000 -3.649) 5.705 11.419 ( 3.833 0.000 15.376) 15.847 11.695 ( -1.469 -0.000 -11.761) 11.852 56.277 ( -0.137 -0.000 0.635) 0.649 56.290 ( 0.152 0.000 -0.615) 0.634 ======================= Grid point 680 (306/424) ======================= q-point: ( 0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 6.152 -10.051 11.233) 16.280 1.864 ( 19.928 -14.230 -9.385) 26.224 2.843 ( 11.006 33.286 43.330) 55.737 3.224 ( -8.311 23.301 -34.819) 42.713 4.342 ( 13.330 -34.661 36.402) 52.002 4.668 ( -8.644 -30.768 -37.783) 49.487 7.335 ( -5.875 3.118 -1.921) 6.923 7.441 ( 4.097 -0.902 2.910) 5.105 7.705 ( 2.645 0.500 0.057) 2.692 7.841 ( 9.109 0.783 -3.615) 9.831 8.509 ( -1.961 -6.301 9.514) 11.579 8.637 ( 1.128 -6.442 -4.691) 8.049 9.045 ( -7.193 6.696 -0.572) 9.844 9.176 ( 5.224 5.875 -1.341) 7.976 11.352 ( -0.875 14.082 14.467) 20.208 11.483 ( -7.095 15.785 -13.939) 22.222 56.282 ( -0.038 -0.430 0.593) 0.733 56.294 ( 0.299 -0.463 -0.596) 0.812 ======================= Grid point 681 (307/424) ======================= q-point: ( 0.13 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 7.730 -4.248 -0.721) 8.849 2.356 ( 28.161 -11.427 -1.166) 30.414 2.584 ( 8.250 20.265 34.694) 41.017 2.795 ( 4.640 6.599 -21.060) 22.552 5.019 ( -7.390 -34.704 -32.458) 48.089 5.177 ( 12.616 -35.470 28.242) 47.063 7.209 ( -5.117 4.625 -1.895) 7.153 7.457 ( -4.782 -0.967 -0.120) 4.881 7.764 ( 11.374 1.403 -2.516) 11.733 7.893 ( 7.765 2.200 -5.191) 9.596 8.548 ( -6.542 -0.168 -3.116) 7.249 8.730 ( 2.585 6.332 10.184) 12.268 8.889 ( -3.476 -1.034 1.553) 3.945 9.126 ( 5.644 4.932 -1.462) 7.637 10.977 ( -9.791 27.950 -13.959) 32.741 11.099 ( -2.104 18.956 14.202) 23.779 56.292 ( -0.025 -0.677 0.419) 0.797 56.307 ( 0.474 -0.845 -0.453) 1.070 ======================= Grid point 682 (308/424) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 11.315 -1.229 -1.686) 11.506 2.329 ( 11.098 17.776 31.518) 37.849 2.979 ( 13.946 -13.820 0.970) 19.658 3.055 ( 26.061 -25.636 -4.116) 36.788 5.421 ( -5.887 -33.818 -30.571) 45.966 5.874 ( 7.051 -27.301 16.697) 32.770 7.057 ( -4.389 8.208 -0.919) 9.353 7.394 ( -6.919 0.396 -2.616) 7.407 7.797 ( 5.840 6.922 -4.108) 9.945 7.918 ( 10.445 2.202 -5.842) 12.169 8.367 ( -4.998 12.420 -1.608) 13.484 8.585 ( -2.073 10.188 13.003) 16.648 8.956 ( 1.660 -3.905 0.100) 4.244 9.117 ( 2.024 2.375 -4.223) 5.251 10.336 ( -8.776 31.270 -15.207) 35.862 10.857 ( 1.136 15.270 20.389) 25.498 56.305 ( -0.013 -0.796 0.233) 0.830 56.327 ( 0.581 -1.039 -0.306) 1.230 ======================= Grid point 683 (309/424) ======================= q-point: ( 0.27 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 17.005 1.743 27.540) 32.414 2.456 ( 11.065 -13.786 14.048) 22.579 3.378 ( 12.650 -16.600 -1.545) 20.928 3.735 ( 24.545 -25.377 1.109) 35.323 5.791 ( -4.224 -26.360 -25.749) 37.091 6.223 ( -6.528 -10.715 -7.086) 14.409 6.835 ( -2.265 14.900 5.766) 16.137 7.290 ( -2.926 5.503 -3.937) 7.372 7.719 ( 1.155 2.394 1.352) 2.982 7.950 ( 10.299 9.530 -9.158) 16.756 8.088 ( -3.942 10.809 7.785) 13.892 8.487 ( -1.685 4.364 6.863) 8.305 9.026 ( -3.304 0.896 -4.932) 6.004 9.051 ( 4.915 -0.184 -2.796) 5.657 9.763 ( -3.278 24.700 -10.506) 27.040 10.737 ( 2.858 10.946 22.744) 25.402 56.319 ( 0.007 -0.805 0.104) 0.811 56.350 ( 0.607 -1.058 -0.207) 1.238 ======================= Grid point 684 (310/424) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 13.643 -4.894 28.855) 32.291 2.973 ( 13.178 -24.369 10.306) 29.559 3.738 ( 8.881 -14.349 -3.722) 17.280 4.367 ( 18.900 -23.159 4.557) 30.238 5.904 ( -8.108 5.569 -15.203) 18.107 6.132 ( -10.373 -3.595 -24.171) 26.547 6.572 ( -2.906 14.773 3.543) 15.468 7.159 ( 0.376 5.573 -0.895) 5.657 7.738 ( 6.220 11.711 -3.963) 13.840 7.783 ( -1.925 -2.517 7.862) 8.476 8.068 ( 3.156 0.191 0.776) 3.256 8.382 ( -4.127 6.970 -2.049) 8.356 8.956 ( -0.768 0.262 -0.615) 1.018 9.145 ( 5.266 -1.766 -0.283) 5.561 9.457 ( 2.728 7.892 -4.314) 9.399 10.644 ( 1.059 11.783 19.757) 23.028 56.331 ( 0.019 -0.690 0.009) 0.690 56.372 ( 0.545 -0.920 -0.118) 1.076 ======================= Grid point 685 (311/424) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 9.083 -15.282 18.548) 25.692 3.460 ( 9.662 -15.324 8.416) 19.975 3.989 ( 4.519 -9.511 -6.844) 12.559 4.873 ( 10.535 -15.973 6.569) 20.230 5.520 ( -7.540 18.347 -7.966) 21.376 5.893 ( -10.006 11.078 -18.936) 24.112 6.447 ( 1.885 1.910 0.031) 2.683 7.134 ( 0.499 -1.012 1.564) 1.928 7.609 ( 4.338 8.213 -0.918) 9.333 7.858 ( -2.930 -4.916 2.870) 6.402 8.089 ( 3.935 2.768 -1.732) 5.113 8.174 ( -5.252 8.646 -7.305) 12.478 8.981 ( -0.237 -1.991 2.539) 3.235 9.185 ( 5.011 1.888 3.383) 6.334 9.558 ( 7.062 -12.430 -1.902) 14.423 10.470 ( -2.185 15.130 14.468) 21.048 56.341 ( 0.017 -0.463 -0.051) 0.467 56.389 ( 0.386 -0.627 -0.041) 0.737 ======================= Grid point 686 (312/424) ======================= q-point: ( 0.47 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 2.883 -18.447 7.090) 19.972 3.684 ( 2.340 -2.263 5.100) 6.050 4.084 ( 1.826 -0.878 -9.196) 9.417 4.968 ( -0.956 7.900 2.866) 8.458 5.377 ( 2.021 -3.086 2.621) 4.525 5.606 ( -7.028 5.430 -15.547) 17.905 6.468 ( 4.877 2.014 8.840) 10.295 7.180 ( -1.283 -3.914 0.053) 4.119 7.547 ( 2.544 3.588 0.477) 4.424 7.864 ( -7.517 0.111 -7.209) 10.416 7.952 ( 3.404 6.537 -2.054) 7.652 8.120 ( 0.506 -0.453 -1.556) 1.698 9.007 ( 0.066 -0.630 1.891) 1.994 9.229 ( 2.852 -0.491 2.621) 3.905 9.905 ( 7.979 -19.083 -0.584) 20.692 10.197 ( -5.036 17.293 8.636) 19.975 56.346 ( 0.006 -0.165 -0.071) 0.180 56.399 ( 0.146 -0.205 0.012) 0.252 ======================= Grid point 687 (313/424) ======================= q-point: (-0.47 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -6.331 -8.148 -11.257) 15.270 3.650 ( -5.193 4.591 5.470) 8.830 4.048 ( 2.904 4.009 -4.485) 6.680 4.949 ( 2.972 -4.327 5.343) 7.490 5.371 ( -0.077 10.098 4.105) 10.901 5.495 ( -3.752 -4.780 -6.983) 9.257 6.487 ( 0.924 4.114 7.795) 8.862 7.210 ( -3.114 -2.578 -2.395) 4.698 7.531 ( -1.887 -0.371 1.259) 2.299 7.809 ( 3.669 -2.998 -4.566) 6.580 7.938 ( -0.232 -0.383 1.468) 1.535 8.128 ( 0.427 -0.486 -2.184) 2.278 9.018 ( 0.449 0.118 0.763) 0.893 9.256 ( 0.037 -0.342 0.158) 0.379 9.847 ( -7.560 17.439 4.550) 19.544 10.326 ( 7.334 -20.823 -3.242) 22.313 56.346 ( -0.003 0.153 -0.062) 0.165 56.399 ( -0.133 0.272 0.047) 0.306 ======================= Grid point 688 (314/424) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -13.679 -2.524 -27.797) 31.084 3.464 ( -10.835 11.702 7.304) 17.541 3.975 ( 1.334 7.387 -5.117) 9.085 4.990 ( -6.642 16.524 -3.114) 18.079 5.234 ( 8.762 -2.581 17.304) 19.567 5.630 ( 0.097 -9.743 5.882) 11.381 6.419 ( -3.271 0.159 3.064) 4.484 7.194 ( -2.823 -0.788 -3.587) 4.632 7.550 ( -3.765 -4.997 3.665) 7.251 7.889 ( 5.384 2.208 -1.316) 5.966 8.049 ( -0.556 -13.431 2.009) 13.592 8.136 ( 3.910 -0.158 -2.141) 4.461 9.011 ( 0.381 1.676 -0.306) 1.745 9.248 ( -2.567 -0.546 -2.491) 3.618 9.519 ( -8.405 12.020 1.950) 14.796 10.704 ( 5.136 -18.920 -7.560) 21.012 56.341 ( -0.003 0.438 -0.045) 0.441 56.388 ( -0.389 0.703 0.082) 0.808 ======================= Grid point 689 (315/424) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -19.113 6.314 -22.656) 30.306 3.131 ( -11.610 8.038 -9.174) 16.839 3.774 ( -5.733 11.345 -10.827) 16.697 4.465 ( -14.685 28.356 -3.132) 32.086 5.523 ( 13.000 -4.616 21.637) 25.661 5.612 ( -1.814 14.685 22.594) 27.008 6.629 ( 1.249 -25.577 -1.360) 25.643 7.170 ( -0.506 0.358 -1.955) 2.051 7.627 ( -4.868 -7.248 6.193) 10.705 7.888 ( 1.853 1.462 -2.909) 3.746 8.119 ( -2.051 -3.429 -2.781) 4.868 8.360 ( 9.621 -11.638 -0.251) 15.102 8.967 ( 0.226 3.298 -1.251) 3.534 9.145 ( -7.851 5.184 -0.871) 9.448 9.414 ( -3.621 -7.107 1.028) 8.042 10.991 ( 2.226 -15.169 -13.282) 20.284 56.332 ( 0.009 0.653 -0.035) 0.654 56.369 ( -0.567 0.995 0.127) 1.152 ======================= Grid point 690 (316/424) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -17.763 26.839 -10.277) 33.786 2.968 ( -14.472 -4.016 -19.032) 24.244 3.461 ( -16.420 6.212 -20.043) 26.644 3.815 ( -17.893 27.027 -4.497) 32.724 5.218 ( -0.407 32.717 28.425) 43.342 5.860 ( 13.350 -3.517 24.349) 27.990 7.014 ( -0.291 -14.311 -8.559) 16.678 7.197 ( 2.867 -4.918 4.555) 7.291 7.688 ( -3.297 -2.627 6.021) 7.350 7.856 ( -7.041 -1.474 -1.020) 7.266 8.202 ( 1.371 -8.638 -3.215) 9.318 8.622 ( 10.448 -8.702 -6.091) 14.899 8.940 ( 1.090 -0.446 2.559) 2.817 9.023 ( -7.709 -1.106 -0.008) 7.788 9.617 ( 0.641 -18.342 4.743) 18.956 11.169 ( -0.429 -11.614 -18.549) 21.889 56.320 ( 0.019 0.783 -0.017) 0.783 56.346 ( -0.624 1.092 0.148) 1.266 ======================= Grid point 691 (317/424) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -14.340 24.516 -1.296) 28.432 2.726 ( -20.357 10.870 4.763) 23.564 3.026 ( -25.330 17.652 -9.220) 32.221 3.426 ( -11.681 -10.265 -37.734) 40.812 4.740 ( 3.356 37.932 34.238) 51.209 5.969 ( 5.456 10.704 8.442) 14.684 7.071 ( 1.527 -0.756 -3.671) 4.047 7.347 ( 4.892 -3.652 1.653) 6.324 7.721 ( -1.352 -2.800 6.468) 7.176 7.792 ( -12.800 -3.151 2.240) 13.371 8.347 ( -0.449 -7.058 0.989) 7.141 8.821 ( 9.773 -5.179 -7.950) 13.621 9.012 ( 0.917 -3.615 5.139) 6.350 9.027 ( -7.148 -9.620 -7.006) 13.883 10.057 ( 7.411 -26.732 12.181) 30.297 11.277 ( -1.140 -10.753 -20.042) 22.773 56.307 ( -0.040 0.841 0.108) 0.849 56.323 ( -0.506 0.976 0.022) 1.100 ======================= Grid point 692 (318/424) ======================= q-point: (-0.13 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -2.756 2.963 21.293) 21.674 2.246 ( -28.574 17.888 11.298) 35.554 2.533 ( -15.290 10.749 -1.562) 18.756 3.494 ( -11.826 -22.751 -40.758) 48.153 4.278 ( 6.222 36.084 35.126) 50.740 5.655 ( -5.097 24.630 -15.340) 29.461 7.123 ( 5.710 -0.894 4.556) 7.360 7.443 ( 6.434 -0.731 1.503) 6.647 7.716 ( -10.718 -2.646 3.678) 11.636 7.764 ( -3.529 -1.858 5.063) 6.445 8.429 ( -0.576 -3.053 4.777) 5.698 8.934 ( 2.778 -0.147 -2.063) 3.463 9.028 ( 0.689 -0.307 -10.944) 10.970 9.128 ( -7.575 -12.243 -5.291) 15.339 10.649 ( 10.987 -26.485 16.721) 33.193 11.416 ( 1.202 -13.198 -15.564) 20.442 56.293 ( -0.221 0.784 0.428) 0.921 56.305 ( -0.194 0.710 -0.342) 0.812 ======================= Grid point 693 (319/424) ======================= q-point: (-0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -4.785 1.459 14.140) 14.999 1.746 ( -13.496 15.368 3.175) 20.698 2.520 ( -3.007 -20.931 27.793) 34.923 3.549 ( -2.808 5.151 -0.700) 5.908 3.988 ( -0.571 5.214 3.513) 6.313 5.060 ( -8.986 28.235 -31.461) 43.218 7.226 ( 7.886 -0.739 7.020) 10.584 7.489 ( -1.756 -0.971 -0.172) 2.014 7.700 ( 0.183 -1.789 0.581) 1.890 7.748 ( -4.482 0.163 4.902) 6.644 8.470 ( -1.667 -1.762 4.965) 5.526 8.757 ( -5.556 11.717 -7.714) 15.089 9.108 ( 3.987 -5.514 -7.321) 9.995 9.201 ( -6.887 -6.875 -3.602) 10.377 11.168 ( 9.072 -16.278 16.984) 25.214 11.614 ( 2.372 -11.517 -11.274) 16.290 56.281 ( -0.261 0.474 0.612) 0.817 56.294 ( 0.032 0.409 -0.571) 0.703 ======================= Grid point 695 (320/424) ======================= q-point: ( 0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 19.428 0.000 4.236) 19.885 1.973 ( 29.526 0.000 -5.837) 30.097 3.280 ( -7.317 -0.000 -20.873) 22.118 3.525 ( 14.169 0.000 25.850) 29.478 4.169 ( -3.029 -0.000 -34.094) 34.228 4.178 ( 11.964 0.000 33.835) 35.888 7.298 ( -3.998 -0.000 -6.505) 7.635 7.441 ( -3.691 -0.000 1.601) 4.024 7.790 ( 11.233 0.000 0.873) 11.267 7.919 ( 7.677 0.000 -6.088) 9.798 8.468 ( 0.066 0.000 11.439) 11.439 8.603 ( 4.592 0.000 -1.018) 4.704 9.025 ( -7.882 -0.000 1.045) 7.951 9.289 ( 6.571 0.000 1.400) 6.718 11.450 ( -9.035 -0.000 11.888) 14.932 11.493 ( -9.257 -0.000 -15.854) 18.359 56.281 ( 0.131 0.000 0.599) 0.613 56.292 ( 0.386 0.000 -0.616) 0.727 ======================= Grid point 696 (321/424) ======================= q-point: ( 0.13 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 19.893 -1.332 -8.489) 21.670 2.395 ( 33.827 -11.923 -3.697) 36.057 2.962 ( 3.026 15.976 -22.082) 27.423 3.376 ( 14.178 32.032 37.033) 50.976 4.309 ( -2.891 -27.666 -34.638) 44.425 4.831 ( 13.742 -33.937 31.376) 48.219 7.222 ( -2.592 2.357 -7.085) 7.904 7.390 ( -6.157 -0.075 -0.904) 6.223 7.904 ( 11.920 1.382 0.001) 12.000 7.966 ( 6.231 0.378 -7.403) 9.683 8.479 ( -1.341 1.323 4.019) 4.439 8.771 ( 7.034 -8.756 7.951) 13.761 8.893 ( -8.232 5.985 3.192) 10.667 9.314 ( 7.913 6.472 2.132) 10.443 11.198 ( -10.770 16.419 -17.621) 26.384 11.289 ( -12.554 8.382 11.509) 18.982 56.286 ( 0.200 -0.283 0.456) 0.573 56.299 ( 0.514 -0.560 -0.495) 0.907 ======================= Grid point 697 (322/424) ======================= q-point: ( 0.20 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 15.075 1.876 -21.034) 25.946 2.924 ( 20.282 4.108 -2.599) 20.856 2.983 ( 32.126 -18.619 -2.422) 37.211 3.140 ( 14.921 24.988 42.968) 51.897 4.708 ( -1.503 -34.607 -33.068) 47.889 5.545 ( 7.954 -28.357 18.255) 34.650 7.131 ( -1.047 4.290 -5.426) 6.996 7.326 ( -5.097 -0.201 -1.224) 5.246 7.938 ( 4.858 4.818 -6.152) 9.200 8.014 ( 7.756 0.826 -2.516) 8.196 8.424 ( -3.362 3.678 -0.231) 4.988 8.692 ( -7.599 8.198 7.807) 13.634 8.977 ( 4.212 -3.760 4.882) 7.464 9.266 ( 8.562 9.763 0.778) 13.009 10.682 ( -8.831 26.155 -17.971) 32.940 11.059 ( -10.615 8.315 16.046) 20.960 56.296 ( 0.216 -0.501 0.247) 0.599 56.316 ( 0.607 -0.921 -0.322) 1.149 ======================= Grid point 698 (323/424) ======================= q-point: ( 0.27 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 21.115 -13.629 -6.408) 25.936 2.881 ( 20.632 26.621 40.289) 52.512 3.325 ( 18.311 -8.879 3.961) 20.732 3.615 ( 26.437 -21.854 -1.577) 34.336 5.180 ( 1.227 -33.363 -28.019) 43.585 5.945 ( -4.973 -14.006 -2.753) 15.115 7.033 ( 1.429 7.351 2.122) 7.784 7.303 ( -0.411 -0.380 -0.360) 0.665 7.824 ( -0.200 8.989 -3.380) 9.606 8.055 ( 4.316 0.935 -1.379) 4.627 8.269 ( -3.554 10.709 -1.005) 11.328 8.548 ( -3.944 4.592 5.914) 8.463 9.006 ( -0.901 1.885 -1.749) 2.725 9.197 ( 8.839 8.614 -0.242) 12.344 10.125 ( -3.864 26.486 -13.899) 30.160 10.918 ( -6.960 5.162 20.462) 22.221 56.308 ( 0.225 -0.641 0.122) 0.690 56.338 ( 0.627 -1.061 -0.232) 1.254 ======================= Grid point 699 (324/424) ======================= q-point: ( 0.33 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 27.630 -11.055 14.491) 33.100 2.857 ( 16.312 7.461 32.867) 37.443 3.662 ( 16.086 -9.230 -1.632) 18.618 4.206 ( 19.063 -22.039 -1.017) 29.157 5.606 ( 0.791 -23.382 -21.462) 31.748 5.909 ( -12.732 -1.236 -19.597) 23.403 6.873 ( -0.774 18.153 9.612) 20.555 7.267 ( 2.439 5.142 -4.943) 7.538 7.732 ( -1.614 -0.626 5.303) 5.579 8.014 ( 2.282 13.426 -6.630) 15.147 8.089 ( 0.259 1.161 2.550) 2.814 8.456 ( -2.249 5.593 0.591) 6.058 8.942 ( -1.812 1.145 -2.713) 3.457 9.198 ( 8.489 2.033 0.374) 8.737 9.702 ( 0.839 18.873 -6.925) 20.120 10.828 ( -6.225 6.129 19.577) 21.437 56.322 ( 0.229 -0.656 0.037) 0.696 56.361 ( 0.565 -1.030 -0.164) 1.186 ======================= Grid point 700 (325/424) ======================= q-point: ( 0.40 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 20.071 10.006 36.381) 42.738 3.351 ( 19.277 -19.112 6.406) 27.890 3.925 ( 12.181 -5.957 -4.551) 14.303 4.709 ( 11.750 -19.933 1.208) 23.170 5.567 ( -12.527 6.214 -20.219) 24.583 5.894 ( -1.708 -3.417 -15.848) 16.302 6.521 ( -3.942 16.974 5.633) 18.314 7.233 ( 6.679 3.604 0.290) 7.595 7.770 ( -3.091 -2.988 3.811) 5.745 7.806 ( 2.566 11.761 -4.568) 12.876 8.105 ( 1.224 -0.552 -0.241) 1.364 8.303 ( -1.280 9.710 -4.521) 10.787 8.950 ( 0.649 -2.321 1.793) 3.004 9.276 ( 6.395 0.278 0.612) 6.430 9.513 ( 3.203 3.020 -2.253) 4.945 10.677 ( -7.838 10.306 15.168) 19.942 56.334 ( 0.226 -0.541 -0.018) 0.587 56.381 ( 0.415 -0.832 -0.101) 0.935 ======================= Grid point 701 (326/424) ======================= q-point: ( 0.47 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 13.875 0.955 27.405) 30.732 3.740 ( 14.601 -3.904 2.865) 15.383 4.076 ( 8.981 -1.859 -7.719) 11.988 5.049 ( 3.400 -4.724 2.882) 6.495 5.316 ( -4.556 0.131 -12.920) 13.700 5.681 ( -3.869 14.440 -6.958) 16.489 6.423 ( -3.956 -4.131 1.298) 5.865 7.265 ( 9.442 4.343 5.041) 11.551 7.654 ( 0.506 7.693 -2.676) 8.161 7.761 ( -6.219 -1.006 -2.070) 6.631 8.098 ( 2.250 5.154 -6.173) 8.350 8.146 ( 1.919 4.564 -0.019) 4.951 9.003 ( 1.364 -1.451 2.065) 2.869 9.284 ( 3.132 2.958 0.621) 4.353 9.674 ( 4.203 -15.110 -1.027) 15.717 10.417 ( -9.883 14.681 9.922) 20.289 56.343 ( 0.216 -0.316 -0.041) 0.385 56.395 ( 0.187 -0.479 -0.054) 0.517 ======================= Grid point 702 (327/424) ======================= q-point: (-0.47 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 7.132 1.266 14.964) 16.625 3.778 ( 5.302 10.661 0.124) 11.907 4.138 ( 8.747 2.033 -8.128) 12.113 4.978 ( 1.763 3.880 -0.289) 4.271 5.412 ( 1.005 -4.782 0.579) 4.921 5.467 ( -2.135 5.659 -1.513) 6.235 6.449 ( -8.206 -4.518 -1.259) 9.452 7.287 ( 8.480 6.847 5.219) 12.085 7.533 ( -3.809 4.149 -1.877) 5.937 7.719 ( -2.738 -3.820 -2.176) 5.180 8.032 ( 5.730 5.331 -1.892) 8.053 8.138 ( 1.755 0.369 -1.546) 2.367 9.034 ( 1.993 0.036 0.630) 2.091 9.266 ( 0.165 1.640 -0.988) 1.922 9.975 ( -4.516 -9.080 1.064) 10.197 10.098 ( -4.456 5.437 1.507) 7.189 56.348 ( 0.205 -0.023 -0.035) 0.210 56.400 ( -0.082 -0.022 -0.021) 0.088 ======================= Grid point 703 (328/424) ======================= q-point: (-0.40 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 0.061 14.852 -7.557) 16.664 3.610 ( -2.254 12.255 7.646) 14.620 4.134 ( 7.917 7.539 -7.483) 13.248 5.039 ( 2.121 -3.202 -2.587) 4.630 5.365 ( 0.744 6.116 2.893) 6.807 5.495 ( 1.905 -6.554 12.053) 13.851 6.380 ( -11.011 -1.364 -3.121) 11.526 7.245 ( 5.114 7.352 2.103) 9.199 7.468 ( -3.586 -1.324 0.849) 3.916 7.839 ( -0.578 -10.793 2.309) 11.052 8.004 ( 4.805 4.767 -0.740) 6.809 8.169 ( 5.563 -1.216 -2.423) 6.188 9.048 ( 2.323 1.027 -0.600) 2.609 9.221 ( -2.436 1.567 -3.487) 4.533 9.654 ( -13.166 15.858 3.319) 20.876 10.376 ( 0.578 -20.900 -7.538) 22.225 56.348 ( 0.202 0.286 -0.021) 0.350 56.394 ( -0.336 0.447 0.014) 0.559 ======================= Grid point 704 (329/424) ======================= q-point: (-0.33 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -4.579 13.843 -21.070) 25.623 3.330 ( -5.840 19.609 5.711) 21.243 3.961 ( 0.882 16.707 -9.597) 19.287 4.732 ( -14.031 25.264 -9.378) 30.382 5.579 ( 13.837 -13.025 14.810) 24.093 5.748 ( 4.470 -9.446 21.028) 23.481 6.334 ( -5.927 -7.850 2.725) 10.206 7.194 ( 3.335 3.598 -1.322) 5.081 7.488 ( -3.628 -4.514 2.300) 6.231 7.956 ( -0.401 2.614 -1.654) 3.119 7.989 ( -0.595 -5.430 -0.296) 5.470 8.316 ( 10.840 -7.161 -1.151) 13.042 9.033 ( 1.010 3.451 -2.684) 4.487 9.149 ( -4.512 2.008 -4.270) 6.529 9.336 ( -9.312 6.487 4.377) 12.164 10.659 ( -3.566 -18.839 -13.279) 23.323 56.343 ( 0.213 0.560 -0.023) 0.600 56.379 ( -0.519 0.828 0.072) 0.980 ======================= Grid point 705 (330/424) ======================= q-point: (-0.27 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -8.437 11.992 -24.113) 28.221 2.924 ( -4.990 20.017 -7.599) 21.985 3.555 ( -10.881 23.173 -6.568) 26.429 4.076 ( -16.529 29.098 -9.652) 34.829 5.768 ( 4.629 18.108 24.624) 30.914 5.998 ( 15.913 -7.583 27.268) 32.470 6.634 ( -0.249 -26.869 -1.096) 26.892 7.203 ( 4.018 -0.866 -1.325) 4.319 7.547 ( -5.515 -7.291 2.908) 9.593 7.851 ( -3.888 6.000 -4.623) 8.514 8.069 ( 0.203 -6.030 -1.684) 6.264 8.552 ( 7.941 -8.516 -6.029) 13.112 8.921 ( -6.587 1.905 -1.204) 6.962 9.070 ( 2.466 4.948 3.498) 6.542 9.362 ( -0.308 -12.456 3.607) 12.972 10.835 ( -7.974 -16.034 -19.304) 26.331 56.334 ( 0.237 0.770 -0.044) 0.807 56.358 ( -0.595 1.048 0.143) 1.213 ======================= Grid point 706 (331/424) ======================= q-point: (-0.20 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -9.745 25.463 -9.736) 28.950 2.655 ( -5.145 -0.219 -29.005) 29.459 2.981 ( -22.110 24.743 6.742) 33.861 3.458 ( -9.573 24.775 -15.191) 30.597 5.486 ( 7.348 31.969 32.041) 45.855 6.223 ( 8.107 7.071 13.850) 17.537 6.994 ( 5.085 -13.900 -5.557) 15.810 7.318 ( 5.862 -6.860 4.708) 10.178 7.596 ( -11.832 -5.377 3.778) 13.535 7.705 ( -2.621 2.169 -3.689) 5.018 8.198 ( -0.169 -9.277 0.866) 9.318 8.665 ( -4.039 -9.237 -14.536) 17.690 8.944 ( 2.859 -3.634 4.678) 6.578 9.041 ( 3.786 3.539 3.057) 6.017 9.730 ( 7.639 -24.777 10.309) 27.902 10.925 ( -11.054 -15.664 -22.900) 29.866 56.323 ( 0.219 0.928 -0.009) 0.954 56.335 ( -0.516 1.055 0.125) 1.182 ======================= Grid point 707 (332/424) ======================= q-point: (-0.13 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -4.031 13.072 14.412) 19.871 2.386 ( -21.924 20.669 6.565) 30.837 2.549 ( -4.178 5.183 -14.883) 16.304 3.042 ( -5.934 4.332 -30.149) 31.031 5.104 ( 10.260 37.271 35.257) 52.321 5.973 ( -3.779 24.177 -11.949) 27.232 7.195 ( 10.475 -2.325 3.091) 11.166 7.473 ( -3.658 0.345 2.935) 4.702 7.564 ( -1.067 -9.008 2.518) 9.414 7.714 ( -1.748 -2.299 0.644) 2.959 8.355 ( -0.449 -9.217 7.459) 11.866 8.772 ( -7.153 -15.347 -14.533) 22.314 8.988 ( 5.741 3.172 -0.624) 6.589 9.050 ( -0.334 1.375 1.004) 1.734 10.329 ( 10.405 -30.066 15.617) 35.442 11.034 ( -10.082 -20.185 -20.446) 30.448 56.308 ( -0.092 1.043 0.365) 1.109 56.316 ( -0.068 0.853 -0.280) 0.900 ======================= Grid point 708 (333/424) ======================= q-point: (-0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 1.009 3.602 25.982) 26.250 1.976 ( 2.773 13.562 2.541) 14.074 2.358 ( -2.968 1.125 14.161) 14.512 3.039 ( -7.524 -20.747 -40.285) 45.934 4.705 ( 12.466 38.339 36.891) 54.647 5.379 ( -8.331 31.566 -27.836) 42.903 7.314 ( 3.723 -1.142 6.871) 7.898 7.415 ( -2.563 -0.523 -1.923) 3.246 7.705 ( -2.867 -1.838 1.185) 3.607 7.730 ( 8.296 -1.783 -0.987) 8.543 8.510 ( 2.803 -2.096 13.666) 14.107 8.815 ( -6.803 1.771 -14.650) 16.250 8.993 ( -5.448 -4.638 0.890) 7.210 9.039 ( 4.628 -4.013 -4.648) 7.690 10.938 ( 6.607 -26.002 16.690) 31.596 11.261 ( -6.870 -23.106 -15.129) 28.460 56.292 ( -0.189 0.831 0.563) 1.021 56.303 ( 0.215 0.718 -0.534) 0.920 ======================= Grid point 711 (334/424) ======================= q-point: ( 0.13 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 22.681 0.000 -17.169) 28.446 2.652 ( 35.053 0.000 -3.687) 35.247 3.151 ( 7.048 0.000 -8.435) 10.992 3.584 ( 0.598 0.000 -31.995) 32.001 4.359 ( 19.830 0.000 23.320) 30.611 4.637 ( 12.111 0.000 32.284) 34.481 7.182 ( -3.216 -0.000 -10.036) 10.539 7.325 ( -5.500 -0.000 -1.554) 5.715 7.998 ( 4.815 0.000 -8.818) 10.047 8.030 ( 8.860 0.000 1.423) 8.974 8.580 ( 3.911 0.000 11.711) 12.347 8.752 ( 8.116 0.000 4.069) 9.078 8.873 ( -8.608 -0.000 5.675) 10.310 9.463 ( 8.703 0.000 2.649) 9.097 11.172 ( -10.861 -0.000 -20.324) 23.044 11.198 ( -20.563 -0.000 8.534) 22.263 56.289 ( 0.359 0.000 0.527) 0.638 56.298 ( 0.578 0.000 -0.562) 0.806 ======================= Grid point 712 (335/424) ======================= q-point: ( 0.20 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 17.451 7.016 -27.193) 33.064 3.025 ( 22.989 -10.281 -12.589) 28.154 3.183 ( 25.570 3.540 0.789) 25.826 3.710 ( 9.648 -1.665 4.490) 10.771 4.364 ( 18.117 6.099 7.829) 20.657 5.231 ( 9.194 -27.473 20.822) 35.677 7.119 ( -2.844 -0.225 -9.846) 10.251 7.276 ( -3.250 -0.343 -0.797) 3.364 8.007 ( 4.063 1.534 -9.197) 10.171 8.094 ( 3.728 0.889 2.128) 4.383 8.545 ( 4.481 9.529 7.158) 12.733 8.759 ( -7.168 5.651 7.648) 11.909 8.941 ( 4.766 -6.826 4.033) 9.251 9.506 ( 8.967 6.390 1.848) 11.165 10.859 ( -11.761 14.148 -18.153) 25.846 11.009 ( -18.845 0.792 7.542) 20.313 56.295 ( 0.415 -0.120 0.296) 0.524 56.309 ( 0.636 -0.637 -0.345) 0.964 ======================= Grid point 713 (336/424) ======================= q-point: ( 0.27 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 21.553 -4.762 -15.064) 26.723 3.384 ( 21.644 -9.839 -11.139) 26.255 3.510 ( 19.012 -8.883 -1.322) 21.027 3.726 ( 21.164 19.778 35.608) 45.902 4.713 ( 18.213 -22.040 -11.580) 30.848 5.662 ( -2.749 -15.249 2.227) 15.654 7.088 ( -0.467 -0.850 -5.449) 5.535 7.287 ( 1.526 -2.248 2.140) 3.458 7.946 ( 0.028 7.214 -6.195) 9.508 8.096 ( 0.181 0.886 1.458) 1.716 8.428 ( 3.443 11.678 2.849) 12.504 8.625 ( -3.330 6.160 8.553) 11.054 9.010 ( -1.203 0.518 -2.704) 3.004 9.459 ( 8.680 10.228 0.287) 13.418 10.416 ( -6.872 20.454 -17.851) 28.005 10.876 ( -15.698 -2.174 15.478) 22.152 56.304 ( 0.422 -0.350 0.135) 0.565 56.328 ( 0.638 -0.932 -0.216) 1.150 ======================= Grid point 714 (337/424) ======================= q-point: ( 0.33 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 25.474 -19.138 0.785) 31.872 3.534 ( 16.885 19.662 32.579) 41.630 3.758 ( 22.952 -3.790 -0.054) 23.263 4.007 ( 15.531 -17.864 -7.396) 24.800 5.253 ( 18.018 -21.977 -8.992) 29.808 5.696 ( -12.148 -2.919 -13.339) 18.276 7.080 ( 0.387 2.942 1.266) 3.226 7.347 ( 3.675 2.354 -1.015) 4.481 7.762 ( -4.776 7.049 2.943) 9.009 8.099 ( 2.082 0.393 -1.038) 2.360 8.246 ( 2.310 13.962 -2.828) 14.432 8.534 ( -1.705 5.665 6.437) 8.743 8.945 ( -1.848 1.988 -3.392) 4.344 9.380 ( 7.872 8.668 -0.905) 11.743 9.990 ( -2.293 19.533 -12.533) 23.321 10.818 ( -13.434 -1.629 17.289) 21.956 56.315 ( 0.415 -0.503 0.057) 0.655 56.350 ( 0.568 -1.026 -0.165) 1.184 ======================= Grid point 715 (338/424) ======================= q-point: ( 0.40 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 21.800 -18.479 8.527) 29.823 3.497 ( 18.825 16.376 36.294) 44.044 4.031 ( 22.694 -1.297 -4.870) 23.247 4.439 ( 7.902 -22.975 -10.615) 26.513 5.456 ( -9.863 3.403 -14.086) 17.529 5.734 ( 10.236 -12.575 -9.307) 18.695 6.876 ( -3.694 22.588 7.173) 23.986 7.311 ( 4.657 -0.017 -6.506) 8.000 7.719 ( -2.601 -1.297 5.379) 6.114 8.006 ( 0.286 13.174 -4.409) 13.895 8.133 ( 4.319 1.008 -2.182) 4.943 8.415 ( -2.298 7.617 1.337) 8.068 8.938 ( 1.576 -1.511 2.045) 2.991 9.356 ( 6.470 2.708 -0.550) 7.035 9.673 ( -0.059 13.882 -7.442) 15.752 10.719 ( -13.796 3.015 13.945) 19.847 56.328 ( 0.407 -0.525 0.010) 0.664 56.371 ( 0.421 -0.947 -0.128) 1.045 ======================= Grid point 716 (339/424) ======================= q-point: ( 0.47 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 9.250 10.621 33.590) 36.424 3.832 ( 22.593 -9.424 2.445) 24.601 4.227 ( 21.701 3.540 -4.815) 22.509 4.850 ( 4.714 -22.230 -5.850) 23.466 5.244 ( -7.580 4.514 -14.675) 17.123 5.848 ( 2.860 6.865 -5.574) 9.294 6.493 ( -2.608 17.116 7.815) 18.995 7.400 ( 8.192 -2.272 -0.534) 8.518 7.703 ( -4.112 0.630 1.066) 4.294 7.789 ( -1.122 10.937 -4.512) 11.884 8.155 ( 4.418 1.514 -2.056) 5.103 8.269 ( -0.370 7.673 -1.454) 7.818 9.006 ( 3.024 -1.905 4.000) 5.364 9.384 ( 3.731 3.857 -0.969) 5.453 9.536 ( 0.566 -2.357 -3.876) 4.572 10.511 ( -14.956 8.564 9.030) 19.457 56.340 ( 0.396 -0.413 -0.009) 0.572 56.387 ( 0.205 -0.700 -0.100) 0.736 ======================= Grid point 717 (340/424) ======================= q-point: ( 0.53 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 6.232 5.243 29.760) 30.855 4.055 ( 14.951 6.460 -4.831) 16.988 4.316 ( 18.096 9.051 -5.142) 20.877 5.071 ( 1.917 5.285 -5.486) 7.855 5.221 ( 0.763 -17.685 -8.222) 19.518 5.634 ( 0.344 14.286 3.473) 14.706 6.333 ( -5.689 3.275 3.154) 7.283 7.482 ( 4.718 2.457 -0.460) 5.339 7.587 ( -2.537 9.287 -2.097) 9.853 7.665 ( -0.435 -0.467 0.627) 0.894 8.160 ( -0.323 1.994 1.578) 2.563 8.176 ( 7.213 4.762 -4.250) 9.632 9.067 ( 3.747 -0.017 1.785) 4.150 9.311 ( 0.083 4.589 -2.992) 5.479 9.697 ( -1.658 -14.770 -1.704) 14.960 10.201 ( -14.377 12.177 4.330) 19.332 56.349 ( 0.384 -0.191 -0.003) 0.429 56.396 ( -0.050 -0.313 -0.084) 0.328 ======================= Grid point 718 (341/424) ======================= q-point: (-0.40 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 4.609 12.623 21.148) 25.056 3.908 ( 7.900 20.501 -1.168) 22.001 4.320 ( 12.755 6.187 -9.986) 17.341 5.030 ( 4.441 2.084 -6.730) 8.329 5.385 ( -1.453 -4.414 -6.746) 8.192 5.560 ( 5.976 2.230 18.614) 19.677 6.199 ( -12.047 1.137 -4.955) 13.075 7.429 ( -3.716 2.317 -2.046) 4.833 7.450 ( 2.940 6.169 0.234) 6.838 7.736 ( 3.450 -3.512 5.121) 7.104 8.107 ( 0.313 3.293 0.337) 3.325 8.219 ( 9.085 0.661 -2.153) 9.360 9.089 ( 2.750 1.589 -1.984) 3.745 9.226 ( -2.289 3.245 -3.959) 5.607 9.730 ( -16.504 8.017 3.241) 18.633 10.053 ( -1.651 -12.493 -5.081) 13.587 56.354 ( 0.376 0.096 0.014) 0.388 56.396 ( -0.293 0.140 -0.065) 0.331 ======================= Grid point 719 (342/424) ======================= q-point: (-0.33 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 3.827 28.932 2.161) 29.263 3.649 ( 2.058 20.025 5.562) 20.885 4.245 ( 7.439 15.338 -10.248) 19.890 4.938 ( -7.343 15.351 -9.082) 19.289 5.415 ( 2.824 -12.053 -1.642) 12.487 5.749 ( 7.947 -9.393 21.394) 24.680 6.136 ( -6.726 -7.125 2.790) 10.188 7.333 ( 1.297 6.457 -2.428) 7.019 7.439 ( 0.846 -0.201 2.940) 3.066 7.841 ( -1.310 -5.209 2.718) 6.020 8.067 ( 3.238 3.583 -1.315) 5.005 8.331 ( 9.952 -3.117 -0.357) 10.435 9.044 ( -4.676 1.700 -6.700) 8.345 9.125 ( -4.335 4.215 -6.693) 9.020 9.427 ( -7.255 10.071 8.731) 15.175 10.267 ( -5.589 -17.574 -10.893) 21.418 56.354 ( 0.378 0.395 0.015) 0.547 56.386 ( -0.471 0.564 -0.020) 0.736 ======================= Grid point 720 (343/424) ======================= q-point: (-0.27 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 3.085 27.052 -6.611) 28.018 3.282 ( -0.745 26.528 -3.311) 26.744 3.884 ( -4.166 27.403 -4.782) 28.127 4.373 ( -12.452 29.320 -12.187) 34.106 5.841 ( 8.154 -22.857 4.594) 24.698 6.102 ( 6.311 -14.519 22.808) 27.764 6.265 ( 2.004 -9.132 13.667) 16.559 7.245 ( 1.327 3.970 -4.611) 6.227 7.465 ( 1.482 -0.376 1.778) 2.345 7.843 ( -6.944 0.658 -2.938) 7.569 8.066 ( 6.274 1.755 -0.020) 6.515 8.499 ( 6.579 -4.984 -3.087) 8.813 8.865 ( -11.950 3.064 -4.208) 13.034 9.044 ( -4.257 -3.818 -7.092) 9.110 9.371 ( 8.098 2.855 12.682) 15.315 10.414 ( -11.031 -15.599 -17.175) 25.690 56.349 ( 0.397 0.658 -0.020) 0.769 56.368 ( -0.552 0.878 0.059) 1.038 ======================= Grid point 721 (344/424) ======================= q-point: (-0.20 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.876 23.438 -8.298) 24.879 2.747 ( -7.361 27.514 -21.370) 35.607 3.325 ( -9.106 30.080 14.411) 34.575 3.778 ( -4.333 27.831 -16.346) 32.566 6.039 ( 7.488 12.990 22.796) 27.285 6.383 ( 2.067 -4.208 13.978) 14.743 6.686 ( 10.637 -27.652 6.060) 30.241 7.231 ( -2.748 -5.590 -7.115) 9.456 7.486 ( 1.353 0.515 1.283) 1.935 7.700 ( -6.486 3.823 -5.746) 9.471 8.128 ( 4.459 -1.552 3.472) 5.861 8.487 ( -8.180 -0.482 -11.117) 13.811 8.879 ( 2.314 -8.225 4.257) 9.546 9.077 ( -2.079 -4.528 -4.621) 6.796 9.577 ( 14.333 -9.837 15.895) 23.555 10.458 ( -15.924 -14.682 -22.654) 31.342 56.341 ( 0.411 0.877 -0.067) 0.971 56.347 ( -0.514 1.015 0.130) 1.145 ======================= Grid point 722 (345/424) ======================= q-point: (-0.13 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -7.689 24.071 8.110) 26.538 2.289 ( -8.118 8.208 -25.508) 27.999 2.877 ( 2.500 25.766 16.726) 30.820 3.264 ( 1.064 26.432 -19.426) 32.820 5.846 ( 9.482 28.218 28.367) 41.120 6.263 ( -3.951 18.098 -9.396) 20.771 7.205 ( 4.269 -11.450 4.724) 13.101 7.309 ( -0.906 -14.316 -2.951) 14.645 7.509 ( 4.407 -1.236 4.910) 6.713 7.642 ( -1.406 -3.872 -6.828) 7.974 8.220 ( -1.447 -6.416 9.302) 11.392 8.449 ( -5.595 -9.284 -12.512) 16.555 9.039 ( 2.875 -3.744 2.481) 5.333 9.092 ( 0.587 0.703 -1.926) 2.133 10.053 ( 13.730 -22.416 18.651) 32.231 10.487 ( -16.746 -20.052 -23.483) 35.127 56.325 ( -0.317 1.104 0.309) 1.189 56.331 ( 0.347 0.910 -0.261) 1.008 ======================= Grid point 723 (346/424) ======================= q-point: (-0.07 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.398 -2.494 28.748) 28.955 2.107 ( 1.129 1.186 -8.189) 8.351 2.626 ( 11.223 19.495 6.182) 23.328 2.865 ( 4.863 15.683 -21.944) 27.407 5.524 ( 10.927 33.636 28.983) 45.725 5.738 ( -6.685 30.803 -24.850) 40.137 7.214 ( -10.743 -4.451 2.686) 11.935 7.496 ( 5.928 2.603 0.010) 6.474 7.636 ( 3.686 -6.335 -3.445) 8.098 7.757 ( 8.331 -5.883 -2.856) 10.591 8.425 ( -0.284 -14.605 14.395) 20.509 8.563 ( -4.128 -12.786 -9.768) 16.611 9.007 ( -3.309 6.097 -1.841) 7.178 9.080 ( 3.611 2.350 -1.537) 4.574 10.603 ( 0.229 -26.769 10.487) 28.751 10.699 ( -4.918 -27.067 -9.699) 29.170 56.306 ( -0.227 0.960 0.388) 1.060 56.319 ( 0.443 0.942 -0.385) 1.110 ======================= Grid point 727 (347/424) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 18.186 0.000 -28.710) 33.985 2.978 ( 5.314 0.000 -33.208) 33.630 3.498 ( 23.560 0.000 9.190) 25.289 3.804 ( 33.532 0.000 -1.199) 33.554 4.940 ( 21.077 0.000 23.908) 31.872 4.996 ( 6.050 0.000 21.971) 22.789 7.041 ( -4.118 -0.000 -11.209) 11.941 7.249 ( -0.782 -0.000 0.502) 0.930 8.035 ( 4.543 0.000 -9.299) 10.349 8.124 ( -0.799 -0.000 3.739) 3.824 8.739 ( 2.368 0.000 5.005) 5.537 8.775 ( -1.901 -0.000 12.619) 12.762 8.921 ( 5.028 0.000 2.337) 5.545 9.648 ( 7.902 0.000 0.038) 7.902 10.766 ( -24.943 -0.000 9.240) 26.600 10.830 ( -9.801 -0.000 -23.179) 25.166 56.301 ( 0.507 0.000 0.430) 0.665 56.308 ( 0.669 0.000 -0.461) 0.812 ======================= Grid point 728 (348/424) ======================= q-point: ( 0.27 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 20.969 2.665 -19.647) 28.858 3.109 ( 4.690 -19.888 -32.976) 38.794 3.763 ( 26.548 2.087 9.902) 28.411 4.208 ( 29.384 0.069 13.114) 32.177 4.884 ( 20.227 9.865 16.535) 27.926 5.427 ( 2.783 -13.859 8.250) 16.367 6.999 ( -3.086 -3.391 -8.944) 10.051 7.280 ( 3.023 -2.236 3.574) 5.188 8.028 ( 2.177 4.095 -6.479) 7.967 8.106 ( -1.076 0.668 1.538) 1.993 8.693 ( -0.774 5.734 6.912) 9.014 8.725 ( 4.188 10.497 9.658) 14.866 8.985 ( -1.066 -1.063 -3.135) 3.477 9.668 ( 6.303 5.839 -2.561) 8.965 10.513 ( -13.761 7.737 -8.989) 18.166 10.665 ( -16.231 -3.366 0.810) 16.596 56.306 ( 0.543 -0.005 0.176) 0.571 56.320 ( 0.638 -0.666 -0.216) 0.947 ======================= Grid point 729 (349/424) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 26.151 -12.020 -3.170) 28.955 3.435 ( 3.307 -24.236 -28.196) 37.327 4.006 ( 21.685 3.471 11.065) 24.591 4.367 ( 22.737 15.072 23.595) 36.068 5.220 ( 26.319 -13.051 2.836) 29.514 5.528 ( -4.407 -0.918 -3.771) 5.872 7.021 ( -2.575 -4.840 -6.279) 8.335 7.394 ( 5.293 -3.001 4.557) 7.601 7.873 ( -4.011 10.936 0.365) 11.654 8.120 ( 3.916 -0.429 -4.316) 5.844 8.549 ( 4.436 16.739 3.679) 17.704 8.634 ( -1.684 5.780 9.875) 11.565 8.935 ( -2.588 0.787 -5.010) 5.693 9.589 ( 4.930 8.756 -4.644) 11.069 10.186 ( -6.368 14.054 -14.810) 21.387 10.622 ( -17.131 -7.529 13.577) 23.120 56.314 ( 0.537 -0.249 0.074) 0.597 56.339 ( 0.553 -0.895 -0.139) 1.061 ======================= Grid point 730 (350/424) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 26.677 -19.289 6.328) 33.523 3.747 ( 1.299 -15.452 -9.735) 18.309 4.128 ( 10.195 2.041 4.979) 11.528 4.485 ( 28.147 7.420 12.141) 31.539 5.388 ( -8.342 2.363 -10.362) 13.510 5.730 ( 26.037 -8.554 5.117) 27.879 7.038 ( -3.992 -0.587 -1.806) 4.421 7.388 ( 1.810 9.000 -5.698) 10.805 7.716 ( -1.856 2.655 6.083) 6.892 8.158 ( 4.230 1.082 -1.714) 4.691 8.294 ( 3.450 17.266 -2.934) 17.850 8.525 ( -3.221 7.579 7.015) 10.818 8.933 ( 1.735 -1.973 0.808) 2.749 9.488 ( 4.071 6.759 -4.225) 8.950 9.866 ( -3.156 14.024 -11.050) 18.131 10.584 ( -17.553 -3.873 11.999) 21.612 56.325 ( 0.526 -0.409 0.033) 0.667 56.359 ( 0.402 -0.946 -0.119) 1.035 ======================= Grid point 731 (351/424) ======================= q-point: ( 0.47 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 8.182 -1.253 18.733) 20.480 3.922 ( 15.446 -7.266 6.585) 18.296 4.301 ( 4.979 -16.086 -22.928) 28.447 4.748 ( 28.080 0.478 11.430) 30.321 5.231 ( -3.977 5.138 -6.802) 9.407 6.003 ( 14.643 4.013 1.455) 15.253 6.830 ( -3.511 19.744 4.106) 20.470 7.355 ( 2.803 -6.251 -5.521) 8.799 7.693 ( -2.321 1.634 2.905) 4.062 7.985 ( -0.494 15.363 -1.818) 15.478 8.234 ( 6.525 1.758 -2.755) 7.298 8.384 ( -1.239 7.582 2.252) 8.006 9.016 ( 3.592 -3.047 5.100) 6.942 9.442 ( 2.287 1.629 -2.247) 3.596 9.607 ( -1.618 11.063 -8.508) 14.049 10.445 ( -18.565 1.807 7.208) 19.997 56.338 ( 0.516 -0.436 0.019) 0.676 56.376 ( 0.192 -0.829 -0.115) 0.859 ======================= Grid point 732 (352/424) ======================= q-point: ( 0.53 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -1.282 5.508 25.731) 26.345 4.239 ( 19.672 -1.681 -4.566) 20.265 4.538 ( 6.014 -11.456 -17.980) 22.151 5.004 ( 6.247 2.874 0.931) 6.939 5.187 ( 17.043 -1.543 2.412) 17.282 5.909 ( 3.406 16.399 0.575) 16.759 6.503 ( -1.104 17.580 8.281) 19.464 7.481 ( 0.304 -2.897 -3.195) 4.324 7.638 ( -3.625 -0.726 0.034) 3.698 7.747 ( -0.191 11.351 -3.810) 11.975 8.230 ( 1.355 4.741 5.817) 7.625 8.308 ( 7.378 3.972 -4.935) 9.725 9.115 ( 4.764 -1.272 5.128) 7.114 9.401 ( -0.666 7.988 -4.384) 9.137 9.491 ( -2.758 -6.268 -3.994) 7.927 10.198 ( -17.926 6.471 2.548) 19.228 56.350 ( 0.505 -0.326 0.030) 0.602 56.388 ( -0.049 -0.554 -0.123) 0.570 ======================= Grid point 733 (353/424) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( 0.867 1.222 28.128) 28.168 4.308 ( 14.330 12.511 -8.526) 20.846 4.580 ( 6.644 11.148 -2.257) 13.173 5.017 ( -1.157 -11.100 -18.316) 21.448 5.355 ( 14.449 11.166 -3.369) 18.569 5.737 ( 4.152 5.733 13.757) 15.471 6.259 ( -2.436 13.995 8.047) 16.327 7.416 ( -3.364 2.499 -2.253) 4.758 7.528 ( -2.164 6.407 -7.001) 9.733 7.730 ( -1.728 -4.761 1.030) 5.168 8.182 ( 3.107 5.099 6.206) 8.613 8.348 ( 10.628 2.110 -2.360) 11.089 9.154 ( 2.430 3.744 -0.236) 4.470 9.254 ( -2.705 4.968 -5.102) 7.617 9.571 ( -9.240 -7.742 0.268) 12.058 9.941 ( -10.494 3.432 -1.494) 11.141 56.359 ( 0.494 -0.106 0.054) 0.508 56.392 ( -0.277 -0.170 -0.129) 0.349 ======================= Grid point 734 (354/424) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 1.310 17.019 23.801) 29.289 4.082 ( 9.686 24.568 -3.067) 26.586 4.500 ( 8.792 6.310 -4.835) 11.853 5.045 ( 1.948 7.823 -11.492) 14.038 5.318 ( -0.180 -6.112 -7.342) 9.555 5.636 ( -11.009 6.575 -4.352) 13.542 6.191 ( 12.405 2.740 25.849) 28.802 7.373 ( 0.139 2.111 -6.946) 7.261 7.442 ( -1.170 -1.605 -0.537) 2.058 7.764 ( -5.767 -4.322 -1.107) 7.291 8.174 ( 6.918 4.452 5.401) 9.841 8.428 ( 10.661 1.210 0.290) 10.733 9.005 ( -10.007 6.325 -5.963) 13.255 9.139 ( -4.842 5.594 -7.445) 10.496 9.511 ( -3.371 2.878 7.693) 8.878 9.946 ( -5.144 -11.075 -6.955) 14.053 56.363 ( 0.486 0.176 0.068) 0.521 56.387 ( -0.442 0.243 -0.114) 0.517 ======================= Grid point 735 (355/424) ======================= q-point: (-0.27 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 2.926 32.367 12.682) 34.885 3.730 ( 4.572 27.710 -6.376) 28.800 4.309 ( 1.970 25.865 -0.933) 25.957 4.700 ( -7.235 27.157 -12.990) 30.961 5.474 ( 2.726 -23.501 2.528) 23.793 5.713 ( -7.830 -24.129 -5.799) 26.022 6.429 ( 15.139 -0.676 32.460) 35.823 7.288 ( -0.807 3.338 -13.752) 14.175 7.507 ( 3.450 -1.763 4.441) 5.893 7.751 ( -6.911 -2.508 -3.690) 8.226 8.201 ( 8.582 4.133 4.874) 10.700 8.515 ( 5.498 0.062 -2.245) 5.939 8.759 ( -13.814 3.822 -2.261) 14.510 8.965 ( -5.447 3.332 -9.200) 11.199 9.535 ( 8.051 1.244 11.069) 13.744 10.038 ( -9.449 -11.450 -12.353) 19.313 56.363 ( 0.484 0.466 0.050) 0.674 56.375 ( -0.508 0.603 -0.064) 0.792 ======================= Grid point 736 (356/424) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 4.123 32.363 8.566) 33.730 3.157 ( -6.945 37.065 -19.338) 42.379 3.813 ( -2.782 30.637 15.334) 34.373 4.168 ( 1.655 27.670 -17.523) 32.794 6.011 ( 1.219 -30.489 5.925) 31.084 6.055 ( -2.401 -23.441 1.114) 23.590 6.666 ( 11.443 -1.469 28.237) 30.503 7.167 ( -1.858 3.931 -18.202) 18.714 7.569 ( 5.567 1.745 3.734) 6.927 7.669 ( -5.439 2.501 -5.530) 8.149 8.227 ( 3.672 4.130 7.459) 9.283 8.397 ( -8.679 3.639 -8.970) 13.002 8.776 ( 3.279 -7.755 4.807) 9.695 8.912 ( -3.583 -5.736 -7.891) 10.392 9.695 ( 13.612 -2.896 15.338) 20.711 10.038 ( -14.384 -9.182 -18.189) 24.941 56.358 ( -0.324 0.779 0.057) 0.846 56.359 ( 0.344 0.792 -0.051) 0.865 ======================= Grid point 737 (357/424) ======================= q-point: (-0.13 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -12.963 35.256 -0.350) 37.565 2.510 ( 3.409 25.844 -3.712) 26.331 3.411 ( 5.529 26.743 15.981) 31.641 3.708 ( 7.932 28.384 -17.671) 34.363 6.298 ( -6.115 -4.514 0.279) 7.606 6.314 ( 5.201 2.380 14.111) 15.226 6.938 ( -7.164 -12.562 -5.907) 15.621 7.107 ( 9.302 -11.341 -2.252) 14.839 7.555 ( -1.782 -0.992 -3.619) 4.154 7.617 ( 6.945 4.403 0.144) 8.225 8.143 ( -10.690 -0.454 4.593) 11.643 8.350 ( 4.808 0.496 -0.889) 4.915 8.980 ( 4.170 -8.737 4.139) 10.529 8.992 ( -2.182 -8.234 -6.243) 10.561 9.955 ( -12.794 -10.474 -13.522) 21.360 10.023 ( 10.866 -11.775 11.969) 19.999 56.339 ( -0.387 0.963 0.123) 1.045 56.350 ( 0.540 0.915 -0.126) 1.070 ======================= Grid point 738 (358/424) ======================= q-point: (-0.07 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -4.659 10.694 19.757) 22.943 2.229 ( 6.468 14.494 0.520) 15.880 3.134 ( 11.214 22.175 9.259) 26.519 3.314 ( 15.706 28.292 -13.630) 35.113 6.039 ( -5.822 23.021 -18.154) 29.890 6.176 ( 6.191 22.855 14.634) 27.836 6.975 ( -11.291 -11.927 -2.523) 16.617 7.427 ( -5.780 -9.141 -4.756) 11.815 7.648 ( 8.128 -1.315 -0.130) 8.235 7.702 ( 13.868 -10.910 -4.703) 18.261 8.163 ( -7.240 -12.811 6.888) 16.248 8.420 ( 3.050 -3.785 5.146) 7.079 9.046 ( -0.905 0.292 -3.898) 4.013 9.088 ( -0.040 -1.971 -2.278) 3.013 10.018 ( -13.585 -24.510 -17.634) 33.109 10.457 ( 11.037 -16.836 21.642) 29.557 56.320 ( -0.220 0.949 0.196) 0.994 56.339 ( 0.561 1.024 -0.235) 1.191 ======================= Grid point 743 (359/424) ======================= q-point: ( 0.27 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 21.547 0.000 -18.085) 28.131 2.865 ( 6.240 0.000 -30.718) 31.346 4.092 ( 25.210 0.000 14.640) 29.153 4.560 ( 33.921 0.000 7.490) 34.738 5.117 ( -2.303 -0.000 8.235) 8.551 5.452 ( 17.157 0.000 14.162) 22.247 6.915 ( -1.904 -0.000 -6.438) 6.714 7.308 ( 4.202 0.000 5.126) 6.628 8.088 ( 6.042 0.000 -8.911) 10.766 8.104 ( -1.591 -0.000 4.227) 4.517 8.722 ( -3.411 -0.000 9.492) 10.087 8.925 ( 5.236 0.000 6.619) 8.439 8.937 ( -2.946 -0.000 -6.369) 7.017 9.753 ( 3.388 0.000 -6.060) 6.943 10.362 ( -20.393 -0.000 16.588) 26.287 10.502 ( -9.043 -0.000 -22.683) 24.419 56.314 ( 0.545 0.000 0.324) 0.634 56.319 ( 0.640 0.000 -0.343) 0.726 ======================= Grid point 744 (360/424) ======================= q-point: ( 0.33 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 24.597 -4.566 -6.392) 25.821 3.042 ( 8.217 -17.604 -26.840) 33.133 4.330 ( 17.852 4.698 16.829) 24.980 4.824 ( 20.067 8.422 11.881) 24.794 5.194 ( 6.614 -9.030 -3.002) 11.588 5.640 ( 16.681 0.827 8.393) 18.691 6.917 ( -0.419 -2.337 -2.898) 3.746 7.403 ( 4.572 -3.384 6.532) 8.662 8.026 ( 1.071 9.085 -0.400) 9.156 8.143 ( 5.253 -0.669 -5.976) 7.984 8.691 ( -3.115 2.956 9.695) 10.604 8.858 ( -4.508 5.639 -5.538) 9.099 8.897 ( 3.512 5.468 2.621) 7.008 9.713 ( 1.204 4.477 -8.580) 9.752 10.218 ( -11.613 4.357 -1.723) 12.523 10.367 ( -13.151 -4.876 0.466) 14.034 56.319 ( 0.559 0.040 0.100) 0.569 56.332 ( 0.530 -0.641 -0.126) 0.841 ======================= Grid point 745 (361/424) ======================= q-point: ( 0.40 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 25.016 -16.315 2.818) 29.999 3.368 ( 8.237 -20.645 -22.158) 31.385 4.355 ( 0.103 9.564 16.353) 18.945 4.916 ( 23.521 7.120 6.610) 25.449 5.322 ( 0.804 -1.591 -5.694) 5.967 5.943 ( 27.152 -5.606 10.714) 29.723 6.937 ( -1.979 -2.284 -2.219) 3.749 7.485 ( 1.124 1.423 0.049) 1.814 7.843 ( 1.210 11.444 0.778) 11.534 8.197 ( 5.800 -1.018 -4.598) 7.471 8.600 ( -2.062 10.417 5.120) 11.789 8.642 ( -1.765 12.561 3.012) 13.038 8.910 ( 2.023 -2.713 0.345) 3.402 9.604 ( 0.627 6.080 -9.457) 11.260 9.982 ( -6.182 9.669 -9.398) 14.833 10.345 ( -16.478 -6.400 9.842) 20.232 56.326 ( 0.553 -0.217 0.048) 0.596 56.348 ( 0.370 -0.814 -0.093) 0.899 ======================= Grid point 746 (362/424) ======================= q-point: ( 0.47 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 3.104 -16.819 -8.337) 19.027 3.830 ( 22.737 -18.304 -0.592) 29.195 4.204 ( -4.681 4.996 5.524) 8.797 5.118 ( 27.324 2.849 6.477) 28.225 5.289 ( 0.442 4.486 0.411) 4.526 6.282 ( 21.992 3.005 8.010) 23.598 6.934 ( -4.105 -0.592 -1.454) 4.394 7.355 ( -0.967 7.123 -6.721) 9.841 7.757 ( 2.785 5.351 4.722) 7.661 8.220 ( 0.375 8.987 1.769) 9.167 8.352 ( 4.666 10.194 -4.381) 12.037 8.499 ( -2.013 6.791 5.206) 8.790 9.005 ( 3.096 -4.236 3.688) 6.414 9.490 ( -0.554 4.382 -8.645) 9.708 9.744 ( -3.099 10.687 -6.350) 12.812 10.261 ( -18.417 -2.127 5.629) 19.375 56.337 ( 0.548 -0.381 0.040) 0.668 56.364 ( 0.161 -0.832 -0.103) 0.854 ======================= Grid point 747 (363/424) ======================= q-point: ( 0.53 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( -6.754 0.201 14.052) 15.592 4.161 ( -0.727 -18.642 -20.810) 27.949 4.390 ( 22.990 -7.129 -0.549) 24.076 5.185 ( -0.970 8.978 4.059) 9.900 5.422 ( 27.035 -2.896 9.910) 28.940 6.270 ( 9.675 18.561 1.177) 20.964 6.794 ( -1.386 13.042 2.188) 13.297 7.370 ( 0.700 -7.898 -1.120) 8.007 7.665 ( -1.323 8.719 2.265) 9.105 7.940 ( -3.051 15.810 -3.945) 16.578 8.344 ( 3.021 3.251 6.760) 8.086 8.431 ( 6.672 3.755 -3.545) 8.437 9.126 ( 3.389 -4.928 6.140) 8.571 9.405 ( -2.632 0.847 -7.742) 8.220 9.532 ( -2.020 10.609 -3.657) 11.402 10.077 ( -18.361 1.978 0.321) 18.470 56.349 ( 0.542 -0.407 0.056) 0.680 56.377 ( -0.071 -0.695 -0.130) 0.711 ======================= Grid point 748 (364/424) ======================= q-point: ( 0.60 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -4.647 -2.815 22.218) 22.872 4.414 ( -2.094 -19.322 -22.496) 29.728 4.617 ( 19.025 4.719 -4.787) 20.178 4.996 ( -3.346 11.752 1.312) 12.289 5.773 ( 23.236 -0.717 9.073) 24.955 5.968 ( 3.103 23.800 0.282) 24.003 6.570 ( 3.652 16.685 11.506) 20.594 7.454 ( -0.055 2.765 -3.252) 4.269 7.519 ( -9.166 -2.439 2.111) 9.717 7.659 ( -4.195 11.257 -10.572) 16.003 8.338 ( 4.517 4.383 9.707) 11.568 8.472 ( 10.042 1.261 -4.021) 10.890 9.247 ( 4.184 0.306 4.084) 5.854 9.314 ( -6.105 10.216 -2.128) 12.090 9.379 ( -3.504 -5.547 -4.408) 7.904 9.859 ( -13.806 2.386 -3.248) 14.382 56.361 ( 0.530 -0.295 0.090) 0.613 56.384 ( -0.283 -0.425 -0.163) 0.537 ======================= Grid point 749 (365/424) ======================= q-point: (-0.33 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( -0.488 -3.697 28.073) 28.320 4.493 ( 6.944 7.728 -18.456) 21.179 4.618 ( 1.211 8.579 4.892) 9.950 4.878 ( -2.020 -9.695 -14.511) 17.568 5.577 ( 8.550 27.671 -2.145) 29.041 5.787 ( -5.220 17.698 -1.438) 18.508 6.512 ( 16.491 7.440 26.098) 31.756 7.387 ( 0.835 0.100 0.952) 1.270 7.425 ( -4.504 6.642 -15.452) 17.411 7.537 ( -10.683 -9.149 -3.670) 14.536 8.354 ( 6.539 4.259 9.206) 12.069 8.546 ( 8.147 0.868 -2.552) 8.581 9.040 ( -10.301 11.752 0.931) 15.655 9.175 ( -2.643 6.944 -8.280) 11.125 9.493 ( 2.281 -5.677 5.382) 8.148 9.753 ( -6.757 -4.236 -4.752) 9.283 56.370 ( 0.505 -0.074 0.126) 0.526 56.384 ( -0.426 -0.079 -0.188) 0.472 ======================= Grid point 750 (366/424) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( -2.074 19.447 22.051) 29.475 4.218 ( 7.102 26.071 -14.223) 30.536 4.622 ( 1.279 1.761 10.542) 10.764 4.958 ( -2.735 4.303 -17.689) 18.409 5.316 ( -12.193 6.811 -1.957) 14.103 5.341 ( 5.447 6.165 -3.071) 8.781 6.693 ( 14.468 2.966 29.784) 33.245 7.239 ( -7.696 1.344 -22.377) 23.701 7.485 ( 3.217 -6.221 4.529) 8.341 7.586 ( -3.088 -7.062 -5.415) 9.420 8.376 ( 4.947 4.134 8.924) 11.010 8.542 ( -3.838 3.433 -7.092) 8.764 8.788 ( -2.241 8.620 7.791) 11.833 8.983 ( -2.621 8.266 -10.284) 13.452 9.621 ( 6.184 -3.083 7.985) 10.559 9.781 ( -5.968 -7.123 -7.702) 12.069 56.374 ( 0.269 0.207 0.166) 0.378 56.377 ( -0.259 0.269 -0.209) 0.428 ======================= Grid point 751 (367/424) ======================= q-point: (-0.20 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -1.203 29.760 15.050) 33.370 3.673 ( -3.450 38.497 -18.443) 42.826 4.301 ( -5.514 27.184 10.896) 29.801 4.621 ( 7.933 26.268 -11.540) 29.767 5.474 ( -7.197 -28.026 3.988) 29.209 5.637 ( 5.569 -26.761 -0.525) 27.340 6.830 ( 2.010 1.605 19.579) 19.747 7.109 ( -2.563 -1.201 -21.511) 21.696 7.580 ( -2.955 -2.530 -0.442) 3.915 7.687 ( 9.007 -2.112 -0.085) 9.252 8.262 ( -14.182 6.482 0.911) 15.620 8.442 ( 4.004 3.365 2.210) 5.678 8.765 ( 2.557 0.006 4.983) 5.600 8.851 ( 2.995 3.575 -5.077) 6.894 9.771 ( -7.584 -3.794 -10.856) 13.775 9.793 ( 8.680 -5.074 10.274) 14.375 56.364 ( -0.478 0.547 -0.043) 0.727 56.374 ( 0.531 0.507 0.013) 0.734 ======================= Grid point 752 (368/424) ======================= q-point: (-0.13 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -13.012 41.607 -8.012) 44.324 3.057 ( 4.279 30.852 10.900) 33.000 3.901 ( 2.043 23.503 6.197) 24.392 4.251 ( 13.494 28.532 -6.538) 32.232 5.871 ( -8.784 -28.312 1.233) 29.669 6.181 ( 5.563 -27.029 2.902) 27.747 6.762 ( -10.881 0.708 -12.442) 16.544 7.117 ( 6.412 0.394 -0.439) 6.439 7.533 ( -2.169 1.638 -3.998) 4.835 7.780 ( 9.322 3.727 1.840) 10.207 8.043 ( -11.813 2.158 2.691) 12.307 8.438 ( 1.271 1.813 2.967) 3.702 8.846 ( 2.694 -5.225 -1.867) 6.168 8.910 ( 5.360 -5.152 4.464) 8.672 9.664 ( -10.651 -0.835 -16.123) 19.341 10.058 ( 11.590 -9.083 16.979) 22.475 56.349 ( -0.368 0.747 0.003) 0.833 56.369 ( 0.558 0.757 -0.041) 0.941 ======================= Grid point 753 (369/424) ======================= q-point: (-0.07 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -4.253 24.725 12.625) 28.085 2.687 ( 8.727 26.858 10.688) 30.195 3.592 ( 6.911 20.940 0.101) 22.051 3.945 ( 19.364 27.781 -1.368) 33.891 6.114 ( -6.787 -5.820 -8.895) 12.612 6.447 ( -3.191 3.718 -2.096) 5.330 6.632 ( -7.479 -11.149 -12.183) 18.129 7.205 ( -1.930 -8.197 -1.342) 8.527 7.604 ( 7.932 -10.219 -2.880) 13.253 7.757 ( 2.814 4.651 3.738) 6.597 8.004 ( -1.699 -2.927 4.154) 5.358 8.438 ( -0.468 -0.542 4.626) 4.681 8.949 ( 1.375 -5.757 -3.613) 6.934 9.076 ( 2.854 -3.623 1.964) 5.013 9.559 ( -8.947 -8.961 -15.499) 20.014 10.407 ( 9.798 -12.158 21.592) 26.646 56.333 ( -0.197 0.835 0.063) 0.861 56.361 ( 0.584 0.948 -0.132) 1.121 ======================= Grid point 759 (370/424) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 14.196 0.000 -18.713) 23.488 2.974 ( 24.176 0.000 -4.554) 24.601 4.542 ( 1.047 0.000 21.428) 21.454 5.149 ( 16.559 0.000 2.739) 16.784 5.152 ( 12.682 0.000 -4.696) 13.524 5.820 ( 16.124 0.000 4.506) 16.742 6.935 ( 4.775 0.000 4.746) 6.732 7.437 ( 3.928 0.000 8.127) 9.026 8.149 ( 4.440 0.000 -0.107) 4.441 8.174 ( 6.520 0.000 -7.575) 9.995 8.706 ( -4.272 -0.000 10.075) 10.943 8.738 ( -9.248 -0.000 -13.656) 16.493 9.043 ( 3.179 0.000 3.876) 5.013 9.710 ( -2.605 -0.000 -9.171) 9.534 10.146 ( -12.071 -0.000 19.099) 22.594 10.202 ( -7.935 -0.000 -18.034) 19.702 56.326 ( 0.471 0.000 0.223) 0.521 56.330 ( 0.518 0.000 -0.232) 0.568 ======================= Grid point 760 (371/424) ======================= q-point: ( 0.40 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 14.924 -9.222 -15.090) 23.140 3.306 ( 25.374 -10.468 2.481) 27.560 4.466 ( -13.873 6.331 15.872) 22.010 5.233 ( 13.669 1.996 -0.904) 13.843 5.333 ( 13.613 0.307 -4.101) 14.221 6.091 ( 20.674 -8.030 7.282) 23.344 6.984 ( 5.755 3.563 7.086) 9.800 7.507 ( 1.688 -0.287 5.274) 5.545 8.064 ( 2.592 12.344 -3.810) 13.176 8.221 ( 5.469 -1.099 -5.835) 8.072 8.647 ( -6.967 1.257 4.855) 8.585 8.697 ( -2.831 -3.756 -6.886) 8.339 8.998 ( 2.185 8.252 4.410) 9.608 9.628 ( -3.521 2.472 -10.705) 11.537 10.015 ( -6.449 5.405 -3.948) 9.295 10.143 ( -10.700 -3.736 6.592) 13.111 56.330 ( 0.476 0.007 0.061) 0.480 56.340 ( 0.344 -0.560 -0.075) 0.662 ======================= Grid point 761 (372/424) ======================= q-point: ( 0.47 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 10.509 -12.436 -14.581) 21.856 3.817 ( 23.424 -15.516 7.073) 28.973 4.226 ( -13.629 5.816 8.579) 17.123 5.302 ( -2.332 -2.778 -0.501) 3.662 5.470 ( 25.308 5.697 0.954) 25.959 6.459 ( 15.214 -8.434 5.733) 18.315 6.977 ( 5.615 6.956 8.014) 12.006 7.431 ( -3.749 7.211 -5.239) 9.670 7.931 ( 6.289 7.440 1.170) 9.812 8.283 ( 3.622 -1.072 -1.921) 4.238 8.538 ( -6.447 6.908 6.616) 11.535 8.625 ( 1.226 9.148 -5.408) 10.698 8.968 ( 1.246 -2.686 3.476) 4.566 9.500 ( -4.344 3.707 -12.506) 13.748 9.851 ( -2.933 7.799 -1.855) 8.536 10.083 ( -12.468 -0.905 4.424) 13.261 56.337 ( 0.480 -0.259 0.049) 0.547 56.353 ( 0.131 -0.694 -0.079) 0.711 ======================= Grid point 762 (373/424) ======================= q-point: ( 0.53 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 2.631 -9.981 -5.623) 11.754 3.917 ( -10.776 -1.356 -1.738) 11.000 4.468 ( 24.767 -14.153 4.815) 28.929 5.268 ( -6.281 1.991 2.501) 7.047 5.671 ( 23.235 1.276 4.848) 23.770 6.576 ( 0.486 5.941 -4.453) 7.441 6.927 ( 4.757 8.114 8.402) 12.612 7.323 ( 0.847 0.844 -1.134) 1.648 7.877 ( 7.053 10.368 0.765) 12.563 8.159 ( -6.215 16.037 -0.479) 17.206 8.427 ( 1.158 1.554 8.356) 8.578 8.545 ( 6.050 3.797 -3.787) 8.084 9.066 ( 0.202 -6.036 3.188) 6.829 9.366 ( -4.622 1.515 -12.100) 13.041 9.680 ( -2.155 10.253 1.594) 10.598 9.943 ( -12.151 2.723 -1.468) 12.539 56.348 ( 0.479 -0.421 0.070) 0.642 56.364 ( -0.096 -0.697 -0.116) 0.713 ======================= Grid point 763 (374/424) ======================= q-point: ( 0.60 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( -8.799 -3.454 16.161) 18.722 4.020 ( 0.202 -16.896 -18.555) 25.096 4.858 ( 22.036 -1.385 -2.513) 22.222 5.119 ( -8.674 7.711 2.394) 11.850 5.909 ( 12.814 -2.546 11.363) 17.315 6.365 ( 1.104 13.875 -9.961) 17.116 6.869 ( 7.190 9.630 11.027) 16.311 7.310 ( -7.854 -0.989 -0.684) 7.945 7.701 ( 3.287 17.674 1.227) 18.019 7.824 ( -3.986 14.993 -5.306) 16.396 8.448 ( 1.364 1.729 10.169) 10.404 8.571 ( 8.152 1.216 -5.548) 9.936 9.184 ( -2.116 -7.583 4.406) 9.021 9.307 ( -0.605 -0.873 -9.330) 9.390 9.480 ( -1.886 11.655 4.824) 12.754 9.757 ( -9.774 4.106 -6.038) 12.200 56.360 ( 0.459 -0.442 0.116) 0.647 56.372 ( -0.290 -0.569 -0.172) 0.662 ======================= Grid point 764 (375/424) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.787 ( -3.951 -11.472 24.549) 27.384 4.240 ( -2.256 -16.773 -18.871) 25.348 4.867 ( -10.144 10.718 -0.139) 14.758 4.940 ( 14.821 11.409 -6.747) 19.883 5.932 ( -4.307 11.057 9.509) 15.206 6.131 ( 6.684 19.763 -9.603) 22.966 6.881 ( 16.025 7.380 20.980) 27.413 7.199 ( -17.870 -3.997 -8.499) 20.188 7.463 ( -1.017 10.249 0.054) 10.299 7.570 ( 3.039 11.311 -8.850) 14.679 8.458 ( -0.181 1.174 8.557) 8.639 8.605 ( 3.401 1.091 -5.843) 6.848 9.141 ( -7.813 8.288 4.961) 12.423 9.270 ( 3.473 5.861 -6.495) 9.413 9.466 ( 7.603 -4.127 6.609) 10.887 9.611 ( -7.877 -1.021 -6.487) 10.255 56.371 ( 0.258 -0.325 0.193) 0.457 56.376 ( -0.252 -0.338 -0.249) 0.490 ======================= Grid point 765 (376/424) ======================= q-point: (-0.27 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.012 ( -2.477 -2.739 27.206) 27.455 4.386 ( -2.410 -10.315 -17.717) 20.642 4.627 ( -6.489 4.482 0.158) 7.888 4.832 ( 5.014 8.450 -8.813) 13.198 5.546 ( -12.570 26.289 0.951) 29.155 5.778 ( 8.429 25.807 -1.253) 27.178 6.961 ( -4.460 5.598 5.069) 8.771 7.050 ( -2.303 -0.410 -1.497) 2.777 7.403 ( -0.057 -3.038 0.461) 3.073 7.547 ( 10.387 -2.500 -5.373) 11.958 8.436 ( -5.921 2.288 5.557) 8.436 8.537 ( -4.760 2.962 -6.247) 8.394 8.964 ( 0.706 9.608 9.111) 13.260 9.140 ( 4.686 11.281 -5.952) 13.588 9.607 ( -2.860 -6.152 -3.967) 7.859 9.641 ( 6.803 -4.471 4.727) 9.414 56.372 ( -0.509 -0.061 -0.087) 0.520 56.381 ( 0.444 -0.097 0.040) 0.457 ======================= Grid point 766 (377/424) ======================= q-point: (-0.20 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( -5.834 19.488 16.025) 25.897 4.173 ( -0.883 29.364 -22.075) 36.747 4.561 ( -12.591 11.117 -0.853) 16.818 4.836 ( 0.007 -10.475 1.599) 10.596 5.169 ( -3.522 -0.117 6.607) 7.488 5.541 ( 12.502 11.224 2.871) 17.044 6.740 ( -17.571 -0.816 -21.724) 27.952 7.110 ( 6.670 1.367 13.371) 15.004 7.488 ( 0.096 -5.536 -1.743) 5.804 7.738 ( 11.626 -4.847 -0.494) 12.606 8.243 ( -11.908 7.895 -0.121) 14.288 8.457 ( -6.149 0.013 -2.075) 6.489 8.881 ( 4.574 7.084 7.104) 11.026 9.022 ( 6.601 8.591 1.350) 10.918 9.662 ( 0.509 -1.966 -6.921) 7.213 9.797 ( 5.892 -6.039 7.433) 11.244 56.365 ( -0.490 0.217 -0.114) 0.548 56.385 ( 0.466 0.181 0.075) 0.506 ======================= Grid point 767 (378/424) ======================= q-point: (-0.13 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -10.645 41.486 -8.755) 43.715 3.575 ( -1.349 25.790 9.084) 27.377 4.234 ( -3.033 16.089 -3.632) 16.771 4.797 ( 9.096 18.955 2.441) 21.166 5.354 ( -5.527 -21.284 4.236) 22.394 5.819 ( 9.339 -22.916 5.218) 25.291 6.534 ( -15.821 -3.645 -25.150) 29.935 7.199 ( 5.323 0.401 8.503) 10.040 7.519 ( -2.166 0.330 -3.901) 4.474 7.890 ( 7.373 -2.681 -2.000) 8.096 8.019 ( -7.249 7.029 3.731) 10.765 8.384 ( -8.011 -2.023 -4.628) 9.471 8.889 ( 6.176 1.489 7.625) 9.925 8.991 ( 5.935 4.647 5.350) 9.243 9.614 ( 0.981 5.399 -9.515) 10.984 10.029 ( 6.363 -11.052 11.904) 17.446 56.355 ( -0.367 0.450 -0.081) 0.586 56.385 ( 0.484 0.468 0.034) 0.674 ======================= Grid point 768 (379/424) ======================= q-point: (-0.07 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -4.450 33.604 4.614) 34.210 3.238 ( 6.266 24.275 12.289) 27.920 3.950 ( 2.971 16.868 -4.505) 17.710 4.565 ( 15.275 24.303 5.199) 29.172 5.700 ( -7.823 -26.466 -1.533) 27.640 6.235 ( -5.623 -16.500 -11.743) 21.018 6.418 ( -3.580 -6.399 -13.303) 15.189 7.178 ( -2.188 5.440 0.379) 5.876 7.523 ( 3.355 -5.671 -1.550) 6.768 7.878 ( -2.626 6.702 6.404) 9.634 7.995 ( 5.896 -2.662 -1.387) 6.616 8.350 ( -7.199 -5.027 -4.031) 9.661 8.946 ( 2.894 1.010 4.576) 5.508 9.052 ( 5.448 -3.418 4.961) 8.122 9.480 ( 1.246 7.295 -9.531) 12.067 10.340 ( 5.597 -13.414 16.958) 22.335 56.343 ( -0.188 0.614 -0.033) 0.643 56.380 ( 0.514 0.724 -0.041) 0.889 ======================= Grid point 775 (380/424) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 20.713 0.000 -9.087) 22.618 3.472 ( 23.474 0.000 5.622) 24.138 4.385 ( -19.872 -0.000 13.701) 24.137 5.194 ( -6.540 -0.000 -12.205) 13.847 5.613 ( 27.466 0.000 1.134) 27.489 6.239 ( 18.162 0.000 9.243) 20.378 7.120 ( 7.488 0.000 8.885) 11.620 7.553 ( 2.328 0.000 7.900) 8.236 8.196 ( -3.797 -0.000 -3.965) 5.490 8.233 ( 4.597 0.000 -6.681) 8.110 8.522 ( 0.468 0.000 -14.620) 14.627 8.643 ( -7.647 -0.000 7.814) 10.933 9.100 ( 0.524 0.000 2.662) 2.713 9.571 ( -5.286 -0.000 -8.910) 10.360 10.004 ( -2.240 -0.000 -9.948) 10.197 10.041 ( -8.216 -0.000 13.408) 15.725 56.335 ( 0.306 0.000 0.142) 0.337 56.337 ( 0.343 0.000 -0.146) 0.373 ======================= Grid point 776 (381/424) ======================= q-point: ( 0.47 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 19.083 -0.757 -7.672) 20.581 3.837 ( 18.930 -11.124 8.298) 23.472 4.173 ( -15.856 3.207 9.648) 18.836 5.118 ( -11.451 -6.904 -11.977) 17.951 5.843 ( 26.030 5.925 3.450) 26.918 6.472 ( 8.947 -5.277 7.228) 12.655 7.190 ( 8.369 3.594 9.023) 12.821 7.514 ( -2.304 7.992 0.529) 8.335 8.078 ( 0.583 4.061 0.359) 4.118 8.273 ( 2.230 -2.169 -6.502) 7.208 8.544 ( -6.598 1.306 4.952) 8.352 8.610 ( 0.478 -5.682 -10.831) 12.240 9.041 ( -0.388 6.764 5.452) 8.696 9.465 ( -5.765 2.745 -10.423) 12.223 9.931 ( -0.926 4.805 0.582) 4.928 10.005 ( -5.088 0.335 2.839) 5.836 56.338 ( 0.316 -0.096 0.053) 0.335 56.344 ( 0.123 -0.428 -0.064) 0.450 ======================= Grid point 777 (382/424) ======================= q-point: ( 0.53 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 13.027 -2.345 -5.464) 14.320 3.803 ( -17.515 3.796 3.927) 18.346 4.472 ( 23.716 -17.673 8.021) 30.645 5.094 ( -14.434 -8.617 -7.249) 18.307 5.992 ( 21.832 7.030 5.641) 23.620 6.527 ( -8.379 0.420 -4.255) 9.407 7.213 ( 7.630 9.995 11.253) 16.875 7.367 ( 0.744 3.853 -1.069) 4.068 8.070 ( 5.195 3.570 0.690) 6.341 8.266 ( -3.685 4.183 -5.032) 7.510 8.458 ( -4.726 0.643 10.173) 11.236 8.648 ( 4.912 1.339 -8.897) 10.251 8.991 ( -0.838 -0.844 5.776) 5.897 9.310 ( -6.163 3.765 -11.533) 13.608 9.818 ( -3.351 7.892 6.166) 10.561 9.934 ( -0.129 4.787 -4.964) 6.897 56.346 ( 0.313 -0.364 0.076) 0.487 56.352 ( -0.097 -0.548 -0.099) 0.565 ======================= Grid point 778 (383/424) ======================= q-point: (-0.40 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -14.025 -0.872 12.687) 18.932 3.807 ( 7.966 -7.628 -10.960) 15.549 4.982 ( 21.287 -11.284 1.239) 24.125 5.027 ( -15.329 -3.647 -3.531) 16.148 6.074 ( 5.008 5.476 12.127) 14.217 6.367 ( -5.142 1.132 -15.654) 16.516 7.141 ( 6.273 9.343 12.301) 16.672 7.300 ( -4.008 5.811 -2.457) 7.474 7.986 ( -7.813 11.323 1.348) 13.823 8.044 ( 6.431 15.183 -2.361) 16.657 8.482 ( -2.160 -0.515 9.647) 9.899 8.655 ( 6.411 2.065 -7.562) 10.127 9.057 ( -1.870 -5.948 4.608) 7.753 9.212 ( -2.591 -3.173 -9.252) 10.119 9.653 ( -3.334 9.780 7.713) 12.894 9.816 ( 3.097 9.141 -7.589) 12.278 56.356 ( 0.144 -0.518 0.148) 0.557 56.360 ( -0.138 -0.565 -0.183) 0.610 ======================= Grid point 779 (384/424) ======================= q-point: (-0.33 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( -9.043 -11.971 20.699) 25.564 3.982 ( 4.827 -9.090 -11.954) 15.774 4.848 ( -17.361 3.186 -1.827) 17.746 5.217 ( 14.401 5.607 -7.028) 16.977 5.990 ( -12.146 0.373 8.392) 14.768 6.327 ( 5.228 5.568 -11.929) 14.165 7.049 ( -11.343 7.699 -2.330) 13.905 7.172 ( 8.965 4.173 10.700) 14.570 7.671 ( -4.608 15.791 2.417) 16.626 7.833 ( 4.762 17.743 -4.581) 18.933 8.453 ( -6.204 0.458 5.534) 8.326 8.637 ( 1.050 2.973 -7.915) 8.520 9.138 ( -1.908 -2.929 6.076) 7.010 9.299 ( 3.130 -7.046 -6.562) 10.124 9.507 ( -2.742 6.688 5.774) 9.251 9.689 ( 9.793 9.643 -2.705) 14.007 56.362 ( -0.465 -0.473 -0.055) 0.665 56.370 ( 0.307 -0.535 0.014) 0.617 ======================= Grid point 780 (385/424) ======================= q-point: (-0.27 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( -2.648 -18.736 28.259) 34.009 4.115 ( -0.619 -9.122 -13.064) 15.945 4.585 ( -15.994 5.594 -2.373) 17.109 5.114 ( 6.350 14.282 -8.718) 17.897 5.789 ( -15.452 15.801 2.972) 22.300 6.129 ( 0.618 12.837 -10.415) 16.542 6.791 ( -13.148 5.778 -10.124) 17.571 7.303 ( 10.681 2.493 18.015) 21.091 7.439 ( -0.113 9.550 2.650) 9.911 7.639 ( 6.639 5.939 -7.839) 11.866 8.391 ( -8.951 -0.266 4.075) 9.838 8.519 ( -5.574 5.302 -7.972) 11.079 9.135 ( 2.058 5.252 8.734) 10.398 9.335 ( 0.376 9.508 -2.192) 9.764 9.440 ( -1.395 -8.770 -6.129) 10.790 9.755 ( 16.194 2.435 6.488) 17.614 56.363 ( -0.546 -0.307 -0.126) 0.639 56.381 ( 0.310 -0.413 0.090) 0.524 ======================= Grid point 781 (386/424) ======================= q-point: (-0.20 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -8.936 5.578 16.593) 19.654 4.245 ( -2.033 -6.413 -19.193) 20.338 4.477 ( -8.729 -10.457 9.986) 16.890 4.850 ( 0.137 18.940 -7.129) 20.238 5.273 ( -13.409 17.081 3.358) 21.974 5.934 ( 5.787 13.927 -3.355) 15.450 6.513 ( -13.819 5.609 -17.585) 23.057 7.298 ( 5.754 8.483 14.407) 17.681 7.423 ( 1.848 -2.487 -0.175) 3.103 7.746 ( 7.655 -6.086 -2.440) 10.080 8.269 ( -7.653 6.216 0.371) 9.866 8.359 ( -9.091 0.978 -5.053) 10.447 9.075 ( 2.889 8.333 7.916) 11.851 9.187 ( -0.186 5.971 -0.227) 5.978 9.595 ( 3.728 -9.210 -1.859) 10.108 9.879 ( 13.529 4.220 4.624) 14.907 56.361 ( -0.506 -0.098 -0.138) 0.534 56.390 ( 0.302 -0.194 0.109) 0.375 ======================= Grid point 782 (387/424) ======================= q-point: (-0.13 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( -8.378 21.220 5.718) 23.520 3.949 ( -9.383 29.374 -12.693) 33.346 4.280 ( -9.420 0.819 -9.123) 13.140 4.871 ( -1.069 -5.944 8.433) 10.372 5.202 ( 1.101 -7.528 9.979) 12.549 5.815 ( 9.333 6.096 0.377) 11.154 6.269 ( -11.196 0.489 -18.046) 21.242 7.301 ( 4.749 3.002 10.180) 11.627 7.477 ( -0.774 -1.906 -2.378) 3.144 7.853 ( -0.373 -3.457 -4.235) 5.480 8.110 ( -0.648 6.409 0.181) 6.445 8.248 ( -9.662 -0.742 -5.148) 10.973 9.004 ( 1.422 4.321 6.041) 7.563 9.132 ( 2.884 4.283 4.683) 6.971 9.767 ( 10.199 0.573 -0.521) 10.228 9.943 ( 5.128 -2.742 5.347) 7.900 56.355 ( -0.379 0.119 -0.120) 0.415 56.394 ( 0.314 0.079 0.087) 0.335 ======================= Grid point 783 (388/424) ======================= q-point: (-0.07 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -6.156 36.259 -2.258) 36.847 3.620 ( -0.065 13.952 9.342) 16.791 4.144 ( -1.604 7.020 -9.256) 11.727 4.944 ( 2.439 1.108 4.283) 5.052 5.322 ( -0.301 -6.590 5.704) 8.721 5.895 ( -6.454 -9.433 -18.341) 21.610 6.263 ( 4.848 -8.878 2.460) 10.410 7.265 ( -3.391 7.534 1.113) 8.336 7.478 ( 1.941 -2.771 -0.255) 3.393 7.910 ( 0.411 -3.641 0.557) 3.707 8.019 ( -0.047 2.561 -5.331) 5.914 8.178 ( -6.804 -2.792 -4.328) 8.534 8.994 ( 0.244 0.945 4.769) 4.868 9.126 ( 4.606 2.525 5.343) 7.492 9.713 ( 10.173 14.649 -2.546) 18.015 10.177 ( 1.139 -15.554 11.126) 19.158 56.349 ( -0.194 0.314 -0.087) 0.379 56.394 ( 0.346 0.365 0.031) 0.504 ======================= Grid point 791 (389/424) ======================= q-point: ( 0.47 0.47 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 23.714 0.000 -5.064) 24.249 3.884 ( -3.621 -0.000 8.506) 9.245 4.105 ( 1.736 0.000 12.622) 12.741 4.857 ( -16.038 -0.000 -17.806) 23.964 6.170 ( 23.918 0.000 4.548) 24.346 6.503 ( -1.061 -0.000 6.817) 6.899 7.311 ( 7.841 0.000 5.636) 9.657 7.582 ( -3.743 -0.000 1.612) 4.075 8.061 ( -4.680 -0.000 2.979) 5.548 8.243 ( 1.342 0.000 -9.925) 10.015 8.487 ( -10.766 -0.000 6.833) 12.751 8.566 ( 8.385 0.000 -12.095) 14.718 9.111 ( -1.221 -0.000 6.507) 6.620 9.405 ( -5.264 -0.000 -8.963) 10.395 9.957 ( -6.285 -0.000 8.275) 10.391 10.010 ( 6.792 0.000 -6.364) 9.308 56.340 ( 0.084 0.000 0.094) 0.126 56.342 ( 0.145 0.000 -0.100) 0.176 ======================= Grid point 792 (390/424) ======================= q-point: (-0.47 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( -21.482 5.421 6.008) 22.956 3.786 ( 20.006 5.583 -3.150) 21.008 4.443 ( 20.278 -16.055 11.224) 28.194 4.718 ( -18.204 -9.989 -15.559) 25.946 6.326 ( 10.439 7.358 7.010) 14.569 6.441 ( -6.666 1.299 -3.031) 7.437 7.398 ( 6.129 2.520 5.806) 8.810 7.456 ( -3.979 6.209 -0.312) 7.381 8.077 ( -3.134 -2.662 5.375) 6.767 8.244 ( 1.011 -1.888 -9.647) 9.882 8.413 ( -7.718 -1.507 8.995) 11.948 8.635 ( 6.399 -2.069 -11.270) 13.124 9.077 ( 0.202 5.112 10.346) 11.542 9.295 ( -4.551 4.051 -9.272) 11.095 9.887 ( -5.239 3.847 6.585) 9.252 10.044 ( 9.111 3.901 -7.669) 12.532 56.343 ( -0.004 -0.243 0.095) 0.261 56.345 ( 0.010 -0.270 -0.107) 0.291 ======================= Grid point 793 (391/424) ======================= q-point: (-0.40 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -19.860 1.344 8.474) 21.634 3.886 ( 15.916 3.301 -2.594) 16.461 4.663 ( -20.863 -12.334 -10.618) 26.460 4.975 ( 20.344 -17.067 4.199) 26.885 6.093 ( -22.385 7.063 -1.308) 23.509 6.453 ( 12.649 5.002 -0.372) 13.607 7.309 ( -3.676 5.560 4.657) 8.132 7.370 ( -1.806 7.129 -2.080) 7.643 8.024 ( -8.478 4.038 4.109) 10.250 8.247 ( 3.506 3.039 -3.275) 5.679 8.457 ( -1.236 -3.225 8.370) 9.055 8.679 ( 3.030 -1.177 -10.261) 10.763 9.054 ( 2.677 2.607 11.483) 12.075 9.157 ( -2.301 2.935 -8.688) 9.455 9.771 ( -3.677 6.656 6.091) 9.743 10.019 ( 10.832 8.365 -8.333) 16.023 56.347 ( -0.324 -0.404 0.008) 0.518 56.351 ( 0.118 -0.504 -0.030) 0.518 ======================= Grid point 794 (392/424) ======================= q-point: (-0.33 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( -13.943 -9.983 16.554) 23.835 3.986 ( 11.596 1.004 -3.340) 12.109 4.587 ( -22.264 -7.937 -7.129) 24.688 5.356 ( 13.678 -4.221 -5.922) 15.491 5.771 ( -23.660 -1.137 -2.408) 23.810 6.482 ( 7.074 5.626 0.629) 9.060 7.101 ( -9.424 11.316 -5.365) 15.673 7.269 ( -2.069 1.140 5.089) 5.610 7.842 ( -4.990 9.589 3.245) 11.286 8.153 ( 3.673 13.757 0.831) 14.263 8.418 ( -6.985 3.697 2.450) 8.274 8.665 ( 0.237 2.366 -9.033) 9.341 9.116 ( 3.918 -2.385 7.199) 8.536 9.171 ( 0.672 -6.246 -2.922) 6.929 9.637 ( -2.045 8.345 5.318) 10.104 9.978 ( 15.731 9.365 -4.404) 18.829 56.349 ( -0.493 -0.455 -0.066) 0.674 56.362 ( 0.118 -0.653 0.039) 0.665 ======================= Grid point 795 (393/424) ======================= q-point: (-0.27 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -6.060 -21.590 25.111) 33.666 4.055 ( 6.244 0.733 -4.804) 7.912 4.419 ( -22.152 -1.753 -3.911) 22.563 5.301 ( -3.527 7.947 -6.789) 11.031 5.666 ( -15.597 -4.191 -11.240) 19.676 6.313 ( -4.581 15.787 -5.164) 17.230 6.845 ( -3.564 9.746 -2.039) 10.576 7.312 ( -1.892 -6.740 5.829) 9.110 7.675 ( 2.887 9.496 4.045) 10.717 7.887 ( 2.924 20.057 -1.708) 20.341 8.300 ( -9.676 0.652 3.389) 10.273 8.551 ( -2.889 6.352 -7.901) 10.541 9.222 ( 4.115 -0.474 8.396) 9.362 9.260 ( -2.662 -7.320 -6.623) 10.224 9.483 ( -1.192 9.126 2.309) 9.489 10.047 ( 21.598 5.886 2.803) 22.561 56.351 ( -0.557 -0.429 -0.106) 0.711 56.375 ( 0.090 -0.664 0.085) 0.676 ======================= Grid point 796 (394/424) ======================= q-point: (-0.20 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( -5.321 -14.665 27.674) 31.768 4.061 ( 1.842 -3.804 -8.622) 9.602 4.223 ( -16.851 -4.791 -0.385) 17.523 5.118 ( -0.118 11.151 -7.547) 13.465 5.319 ( -26.012 12.895 -10.116) 30.745 6.034 ( -3.829 7.418 -11.289) 14.041 6.615 ( -1.603 15.231 -2.697) 15.550 7.413 ( -0.680 -3.569 3.705) 5.189 7.583 ( 4.571 14.107 10.966) 18.443 7.706 ( 3.504 -1.003 -5.850) 6.893 8.209 ( -9.493 -0.102 3.057) 9.974 8.375 ( -3.248 7.962 -6.207) 10.605 9.214 ( -5.722 3.049 -4.413) 7.843 9.254 ( 3.160 6.294 8.375) 10.943 9.466 ( 1.660 -7.617 -0.839) 7.841 10.182 ( 21.019 7.321 4.133) 22.638 56.351 ( -0.519 -0.333 -0.123) 0.629 56.386 ( 0.068 -0.551 0.112) 0.566 ======================= Grid point 797 (395/424) ======================= q-point: (-0.13 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -12.429 5.515 11.262) 17.656 4.052 ( -3.336 0.307 -23.375) 23.614 4.262 ( -18.373 10.399 0.843) 21.128 4.844 ( 1.440 1.026 9.963) 10.118 5.106 ( -5.052 -4.726 4.053) 8.017 5.869 ( -4.994 3.853 -16.540) 17.702 6.354 ( 1.533 13.316 0.642) 13.419 7.441 ( -2.139 1.375 3.871) 4.631 7.474 ( 5.614 6.140 5.859) 10.176 7.767 ( -1.012 -3.530 -5.963) 7.003 8.120 ( -8.579 0.676 0.664) 8.631 8.222 ( -0.599 5.788 -3.616) 6.851 9.078 ( -3.339 4.549 0.800) 5.699 9.229 ( 2.386 3.419 4.520) 6.149 9.653 ( 0.744 -12.860 1.849) 13.014 10.227 ( 17.032 12.668 2.157) 21.335 56.351 ( -0.392 -0.187 -0.118) 0.450 56.394 ( 0.069 -0.345 0.110) 0.369 ======================= Grid point 798 (396/424) ======================= q-point: (-0.07 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -11.077 28.919 -9.841) 32.494 3.749 ( -7.422 4.728 4.007) 9.669 4.093 ( -3.796 -3.453 -7.718) 9.269 4.892 ( -0.459 -0.525 6.191) 6.230 5.300 ( 2.137 -9.266 9.534) 13.466 5.704 ( -7.448 0.967 -19.787) 21.164 6.302 ( 8.687 0.699 11.129) 14.136 7.340 ( -6.046 6.368 0.636) 8.804 7.487 ( 3.805 0.808 2.410) 4.576 7.804 ( 0.915 -5.890 -8.308) 10.225 8.009 ( -7.128 2.962 -0.821) 7.762 8.147 ( -0.262 2.358 -2.079) 3.154 9.017 ( -1.025 1.230 2.331) 2.827 9.218 ( 2.446 2.330 3.572) 4.917 9.902 ( -0.443 -15.301 5.881) 16.398 10.132 ( 11.469 16.461 0.031) 20.063 56.349 ( -0.206 -0.012 -0.098) 0.229 56.399 ( 0.099 -0.082 0.074) 0.148 ======================= Grid point 807 (397/424) ======================= q-point: (-0.47 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -23.444 -0.000 5.486) 24.077 4.048 ( 13.057 0.000 -6.522) 14.595 4.407 ( -10.803 -0.000 -17.069) 20.200 4.509 ( 16.924 0.000 16.097) 23.357 6.247 ( -22.336 -0.000 -1.847) 22.412 6.565 ( 9.499 0.000 1.082) 9.561 7.409 ( -10.059 -0.000 -3.788) 10.749 7.517 ( 7.305 0.000 5.826) 9.344 8.060 ( -0.053 -0.000 7.309) 7.309 8.190 ( -0.604 -0.000 -7.936) 7.959 8.330 ( -8.884 -0.000 9.327) 12.881 8.673 ( 8.446 0.000 -10.273) 13.299 9.160 ( 0.835 0.000 12.928) 12.955 9.270 ( -2.913 -0.000 -7.545) 8.088 9.884 ( -4.595 -0.000 5.172) 6.919 10.164 ( 12.188 0.000 -10.313) 15.966 56.340 ( -0.163 -0.000 0.090) 0.186 56.342 ( -0.055 -0.000 -0.102) 0.115 ======================= Grid point 808 (398/424) ======================= q-point: (-0.40 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -22.635 2.721 6.065) 23.591 4.031 ( -10.642 -5.156 -9.045) 14.887 4.342 ( 6.597 3.879 -6.988) 10.363 4.900 ( 16.893 -16.573 8.360) 25.098 5.935 ( -26.829 5.478 -4.265) 27.713 6.577 ( -2.760 0.786 -2.584) 3.862 7.300 ( -6.580 1.680 -1.312) 6.917 7.499 ( 0.893 9.461 1.244) 9.584 8.034 ( -4.056 4.195 5.533) 8.041 8.211 ( -2.618 -4.249 -0.538) 5.020 8.377 ( 0.104 -9.329 7.340) 11.871 8.710 ( 6.602 2.312 -8.391) 10.925 9.182 ( 0.129 4.521 -1.188) 4.677 9.188 ( 1.335 3.489 8.361) 9.157 9.831 ( -3.214 3.107 5.145) 6.816 10.225 ( 13.752 4.428 -12.186) 18.901 56.339 ( -0.343 -0.142 0.031) 0.373 56.344 ( -0.087 -0.376 -0.048) 0.389 ======================= Grid point 809 (399/424) ======================= q-point: (-0.33 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -17.969 -6.280 13.309) 23.227 3.999 ( -18.096 -11.988 -9.377) 23.646 4.330 ( 8.365 6.213 -1.821) 10.577 5.321 ( 11.225 -13.479 -2.311) 17.692 5.539 ( -27.132 5.990 -4.796) 28.196 6.520 ( -9.660 -2.973 -1.325) 10.194 7.155 ( -8.268 7.928 -6.107) 12.981 7.319 ( -0.632 9.316 4.136) 10.212 7.914 ( -4.755 5.233 2.946) 7.660 8.230 ( -5.081 -2.162 2.866) 6.221 8.510 ( 2.636 4.428 3.106) 6.017 8.690 ( 3.802 2.331 -5.753) 7.279 9.085 ( -0.899 1.051 -7.589) 7.713 9.219 ( 4.678 2.174 13.793) 14.726 9.751 ( -1.545 5.837 5.771) 8.352 10.256 ( 17.156 5.933 -10.011) 20.730 56.338 ( -0.495 -0.292 -0.028) 0.576 56.352 ( -0.111 -0.647 0.010) 0.657 ======================= Grid point 810 (400/424) ======================= q-point: (-0.27 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -9.877 -19.910 23.717) 32.503 3.978 ( -21.925 -13.343 -9.690) 27.434 4.273 ( 5.604 9.800 0.884) 11.324 5.205 ( -22.697 1.259 -3.501) 23.000 5.487 ( -0.983 -2.647 -15.292) 15.550 6.398 ( -16.518 4.902 -3.593) 17.601 6.951 ( -0.022 4.589 -2.765) 5.358 7.222 ( -3.181 2.748 6.685) 7.897 7.805 ( -0.940 4.784 0.477) 4.898 8.191 ( -3.270 3.600 4.131) 6.381 8.297 ( -2.442 16.820 -1.154) 17.035 8.632 ( 1.501 7.355 -5.597) 9.363 9.104 ( -2.849 -6.116 -5.948) 8.995 9.287 ( 4.379 0.056 9.973) 10.893 9.631 ( -1.186 9.247 4.931) 10.546 10.356 ( 21.903 3.837 -3.699) 22.542 56.338 ( -0.561 -0.402 -0.066) 0.693 56.362 ( -0.150 -0.792 0.056) 0.808 ======================= Grid point 811 (401/424) ======================= q-point: (-0.20 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( -3.140 -27.834 29.263) 40.508 3.909 ( -23.410 -9.203 -6.182) 25.903 4.145 ( 1.937 9.081 -1.726) 9.445 5.001 ( -20.710 -2.578 -5.615) 21.612 5.309 ( -7.667 10.328 -19.495) 23.357 6.071 ( -15.080 7.898 -5.712) 17.956 6.868 ( 4.137 13.703 0.878) 14.341 7.258 ( -4.711 -10.045 4.477) 11.964 7.748 ( 2.883 3.373 -0.820) 4.512 7.932 ( 0.617 20.093 0.793) 20.118 8.149 ( -6.319 0.956 3.870) 7.472 8.477 ( -0.497 9.502 -4.287) 10.436 9.135 ( -4.538 -3.596 -6.210) 8.491 9.362 ( 2.824 -2.255 5.630) 6.690 9.468 ( -1.321 9.841 4.159) 10.765 10.519 ( 22.323 4.911 0.004) 22.857 56.339 ( -0.526 -0.444 -0.086) 0.694 56.374 ( -0.187 -0.810 0.094) 0.837 ======================= Grid point 812 (402/424) ======================= q-point: (-0.13 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( -19.034 -3.466 2.543) 19.514 4.019 ( -3.302 1.251 -1.122) 3.705 4.072 ( -8.859 -8.893 1.222) 12.612 4.774 ( -16.631 -6.800 -5.074) 18.670 5.083 ( 0.387 7.060 0.329) 7.078 5.855 ( -7.950 3.583 -6.607) 10.940 6.608 ( 1.011 17.953 -2.311) 18.129 7.370 ( -5.662 -6.322 2.158) 8.757 7.680 ( 0.257 11.035 5.625) 12.388 7.748 ( 4.503 1.615 -3.758) 6.083 8.084 ( -3.674 2.171 3.190) 5.328 8.310 ( -1.376 8.028 -2.706) 8.583 9.086 ( -4.168 1.482 -3.584) 5.693 9.337 ( 0.349 6.412 3.930) 7.529 9.469 ( -1.072 -8.530 1.576) 8.740 10.609 ( 18.501 10.413 -0.206) 21.231 56.341 ( -0.401 -0.411 -0.090) 0.581 56.385 ( -0.201 -0.715 0.111) 0.751 ======================= Grid point 813 (403/424) ======================= q-point: (-0.07 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( -12.946 -1.821 -0.087) 13.074 3.697 ( -17.699 14.239 -20.567) 30.643 4.002 ( -3.773 -2.090 -0.358) 4.328 4.989 ( 4.708 4.534 11.696) 13.398 5.077 ( -1.729 -20.515 7.129) 21.787 5.683 ( -4.129 8.176 -8.850) 12.736 6.417 ( 1.513 4.189 3.067) 5.408 7.335 ( -7.832 1.614 -1.166) 8.081 7.576 ( 0.177 4.850 3.887) 6.218 7.773 ( 5.812 0.350 -4.045) 7.090 8.015 ( -1.789 4.361 2.387) 5.284 8.180 ( -2.404 4.098 -2.433) 5.338 9.025 ( -1.618 0.877 -0.148) 1.846 9.276 ( 0.128 2.639 1.490) 3.034 9.634 ( -3.910 -13.964 2.256) 14.675 10.544 ( 12.869 16.786 -1.866) 21.233 56.344 ( -0.215 -0.307 -0.081) 0.384 56.394 ( -0.180 -0.528 0.096) 0.566 ======================= Grid point 823 (404/424) ======================= q-point: (-0.40 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -23.832 -0.000 5.268) 24.407 3.675 ( -26.598 -0.000 -13.912) 30.016 4.625 ( 22.604 0.000 -9.328) 24.454 4.904 ( 11.832 0.000 15.608) 19.586 5.682 ( -29.367 -0.000 -4.396) 29.694 6.423 ( -19.780 -0.000 -8.017) 21.343 7.262 ( -3.375 -0.000 -3.689) 5.000 7.619 ( 0.281 0.000 1.189) 1.221 8.101 ( 0.023 0.000 5.710) 5.710 8.133 ( -5.918 -0.000 4.975) 7.731 8.269 ( 1.506 0.000 5.880) 6.070 8.786 ( 6.982 0.000 -6.679) 9.662 9.197 ( -0.441 -0.000 -6.534) 6.549 9.292 ( 3.085 0.000 16.211) 16.502 9.845 ( -1.758 -0.000 5.782) 6.043 10.363 ( 14.541 0.000 -16.125) 21.713 56.335 ( -0.406 -0.000 0.132) 0.427 56.338 ( -0.237 -0.000 -0.149) 0.280 ======================= Grid point 824 (405/424) ======================= q-point: (-0.33 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -21.322 -2.735 10.272) 23.825 3.467 ( -28.652 -12.868 -12.391) 33.765 4.668 ( 17.283 13.021 -1.874) 21.721 5.190 ( 4.935 -10.934 1.931) 12.150 5.336 ( -25.761 2.369 -3.940) 26.168 6.220 ( -24.486 -6.951 -5.617) 26.066 7.166 ( -6.129 4.719 -8.225) 11.291 7.524 ( 0.440 9.364 2.909) 9.815 7.974 ( -4.626 7.860 5.451) 10.625 8.130 ( -4.516 -2.687 2.337) 5.751 8.486 ( 5.270 -11.161 7.666) 14.529 8.796 ( 5.037 4.206 -4.764) 8.109 9.123 ( -0.607 5.763 -7.896) 9.795 9.348 ( 3.356 2.665 15.596) 16.174 9.835 ( 0.349 2.905 7.707) 8.244 10.450 ( 16.210 1.675 -16.520) 23.205 56.330 ( -0.517 -0.042 0.048) 0.521 56.340 ( -0.301 -0.498 -0.064) 0.585 ======================= Grid point 825 (406/424) ======================= q-point: (-0.27 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -13.878 -16.369 22.084) 30.793 3.399 ( -28.841 -18.422 -12.139) 36.312 4.548 ( 1.199 14.136 -1.814) 14.302 5.014 ( -14.398 3.108 -0.692) 14.746 5.360 ( -5.722 -5.522 -10.819) 13.427 6.107 ( -24.831 -8.597 -4.847) 26.721 6.983 ( -3.532 4.330 -6.164) 8.320 7.392 ( 1.934 10.700 8.199) 13.619 7.845 ( -3.092 3.844 1.302) 5.102 8.126 ( -4.990 -2.007 1.545) 5.595 8.577 ( 2.027 10.858 2.388) 11.300 8.764 ( 5.507 4.402 -3.737) 7.979 8.993 ( -3.844 1.323 -7.459) 8.494 9.374 ( 2.186 2.561 12.333) 12.785 9.788 ( 1.390 7.323 8.242) 11.112 10.578 ( 19.880 -0.324 -11.622) 23.030 56.327 ( -0.575 -0.242 -0.009) 0.624 56.347 ( -0.353 -0.763 0.004) 0.841 ======================= Grid point 826 (407/424) ======================= q-point: (-0.20 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -6.058 -28.046 30.664) 41.995 3.389 ( -26.610 -19.136 -10.792) 34.508 4.268 ( -12.415 8.827 -3.329) 15.593 4.839 ( -7.960 7.635 -9.916) 14.832 5.286 ( -6.995 0.230 -7.479) 10.243 5.874 ( -28.136 -1.068 -8.302) 29.355 7.008 ( 3.870 -5.676 0.552) 6.891 7.243 ( 0.431 12.270 8.724) 15.061 7.790 ( -0.859 1.041 -0.552) 1.458 8.108 ( -3.536 -0.841 1.184) 3.823 8.283 ( -0.389 22.431 -1.341) 22.474 8.655 ( 2.935 11.302 -4.301) 12.444 8.992 ( -4.203 -5.645 -4.766) 8.500 9.374 ( -1.220 1.727 6.423) 6.762 9.671 ( 1.716 11.274 7.732) 13.778 10.776 ( 21.169 0.061 -6.606) 22.176 56.326 ( -0.538 -0.418 -0.039) 0.682 56.357 ( -0.405 -0.911 0.060) 0.999 ======================= Grid point 827 (408/424) ======================= q-point: (-0.13 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -23.961 -16.144 -5.504) 29.411 3.718 ( -8.483 -21.179 23.726) 32.916 4.080 ( -4.594 -0.384 -7.649) 8.931 4.482 ( -19.343 6.132 -21.695) 29.705 5.218 ( 3.019 5.726 6.571) 9.224 5.664 ( -21.190 -8.067 -2.235) 22.783 6.966 ( 4.588 20.817 -0.233) 21.318 7.198 ( -3.358 -7.733 3.404) 9.092 7.772 ( -1.525 0.848 1.503) 2.303 7.935 ( 1.100 16.977 -0.334) 17.016 8.097 ( -0.305 0.098 0.661) 0.734 8.471 ( 1.162 12.281 -1.914) 12.483 9.015 ( -3.705 -3.387 -5.021) 7.100 9.332 ( -5.649 -0.184 1.265) 5.791 9.530 ( 2.225 9.952 6.462) 12.073 10.921 ( 17.803 5.591 -5.359) 19.415 56.329 ( -0.408 -0.520 -0.053) 0.663 56.368 ( -0.435 -0.947 0.102) 1.047 ======================= Grid point 828 (409/424) ======================= q-point: (-0.07 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -18.477 -13.206 2.028) 22.802 3.614 ( -22.191 10.437 -25.525) 35.396 3.927 ( -3.619 -0.296 -8.728) 9.453 4.640 ( -4.948 -29.168 8.695) 30.836 5.194 ( 7.070 7.023 14.240) 17.381 5.661 ( -9.028 -7.543 4.348) 12.543 6.614 ( 1.155 21.535 -2.513) 21.712 7.245 ( -5.481 -2.637 -1.074) 6.177 7.676 ( -3.537 7.324 6.447) 10.379 7.833 ( 4.673 1.392 -2.472) 5.467 8.105 ( 3.804 1.189 -0.424) 4.008 8.271 ( -1.027 12.104 0.162) 12.148 9.002 ( -2.241 -1.057 -2.720) 3.680 9.291 ( -5.151 -1.177 -1.032) 5.384 9.459 ( -1.761 -0.019 3.041) 3.514 10.904 ( 11.627 12.983 -6.350) 18.549 56.334 ( -0.216 -0.525 -0.054) 0.571 56.379 ( -0.429 -0.875 0.113) 0.981 ======================= Grid point 839 (410/424) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -22.252 -0.000 10.155) 24.460 3.016 ( -30.452 -0.000 -8.688) 31.667 4.935 ( -3.852 -0.000 -16.943) 17.376 5.101 ( -7.878 -0.000 1.466) 8.013 5.109 ( -2.449 -0.000 7.279) 7.680 5.875 ( -24.907 -0.000 -2.508) 25.033 7.116 ( -6.697 -0.000 -10.597) 12.535 7.561 ( -4.412 -0.000 -3.680) 5.745 8.012 ( -8.592 -0.000 8.683) 12.216 8.129 ( 0.787 0.000 1.692) 1.866 8.459 ( 9.647 0.000 11.982) 15.383 8.858 ( 2.980 0.000 -4.484) 5.384 9.156 ( 0.228 0.000 -7.868) 7.871 9.451 ( 2.826 0.000 15.363) 15.621 9.903 ( 2.848 0.000 10.989) 11.352 10.561 ( 15.410 0.000 -20.693) 25.800 56.325 ( -0.613 -0.000 0.214) 0.649 56.331 ( -0.375 -0.000 -0.230) 0.440 ======================= Grid point 840 (411/424) ======================= q-point: (-0.27 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -17.240 -11.155 20.007) 28.670 2.791 ( -30.935 -12.799 -7.582) 34.326 4.576 ( -26.759 8.670 -8.421) 29.362 5.087 ( -16.220 -7.706 1.677) 18.036 5.122 ( 7.826 6.686 -8.799) 13.541 5.735 ( -16.659 -6.268 -1.177) 17.838 6.982 ( -5.151 3.133 -8.403) 10.342 7.498 ( -3.584 0.862 -2.060) 4.223 7.909 ( -5.829 5.550 8.515) 11.717 8.100 ( 1.007 2.546 0.187) 2.744 8.656 ( 5.735 -4.298 9.230) 11.686 8.847 ( 2.420 2.222 -3.598) 4.872 9.054 ( -0.794 8.997 -10.288) 13.690 9.486 ( 1.455 3.612 13.361) 13.917 9.944 ( 4.271 4.408 12.898) 14.284 10.688 ( 17.266 -3.301 -18.837) 25.765 56.319 ( -0.632 -0.018 0.107) 0.641 56.331 ( -0.462 -0.560 -0.113) 0.735 ======================= Grid point 841 (412/424) ======================= q-point: (-0.20 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -29.802 -19.901 -8.438) 36.815 2.800 ( -8.106 -26.425 30.318) 41.027 4.147 ( -27.381 5.985 -5.714) 28.604 4.888 ( -17.563 2.979 -22.242) 28.496 5.159 ( -0.292 -1.871 10.670) 10.837 5.571 ( -19.278 2.058 -9.194) 21.457 6.951 ( 1.395 -3.762 0.072) 4.013 7.434 ( -1.458 4.613 2.047) 5.254 7.801 ( -3.371 3.716 5.308) 7.304 8.083 ( 0.632 0.607 -0.046) 0.878 8.607 ( -0.119 16.083 -1.059) 16.119 8.842 ( 2.027 10.140 -10.077) 14.438 8.872 ( -0.698 -3.081 0.212) 3.166 9.444 ( -1.452 5.605 9.073) 10.763 9.904 ( 3.926 10.185 11.786) 16.065 10.909 ( 19.279 -5.298 -13.507) 24.129 56.315 ( -0.576 -0.274 0.035) 0.639 56.338 ( -0.531 -0.831 -0.013) 0.987 ======================= Grid point 842 (413/424) ======================= q-point: (-0.13 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -26.851 -23.375 -9.589) 36.869 3.319 ( -5.225 -28.459 29.524) 41.338 3.841 ( -22.292 -4.659 -2.733) 22.937 4.477 ( -14.842 17.307 -35.102) 41.856 5.173 ( -26.524 -14.844 3.290) 30.573 5.405 ( 4.622 5.140 10.234) 12.349 7.069 ( 1.444 -6.210 1.633) 6.581 7.309 ( 1.167 12.225 3.566) 12.788 7.751 ( -3.410 0.121 3.079) 4.596 8.087 ( -0.482 0.191 0.423) 0.669 8.263 ( 1.286 20.491 -4.405) 20.998 8.674 ( 1.778 10.601 -6.087) 12.353 8.914 ( -1.076 -2.713 -0.723) 3.007 9.330 ( -5.330 5.932 3.584) 8.744 9.771 ( 2.647 13.491 9.023) 16.445 11.116 ( 16.668 -0.332 -11.340) 20.162 56.316 ( -0.428 -0.508 -0.002) 0.664 56.347 ( -0.579 -0.991 0.068) 1.150 ======================= Grid point 843 (414/424) ======================= q-point: (-0.07 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -22.192 -23.407 -6.339) 32.871 3.436 ( -20.802 0.213 -6.895) 21.916 3.871 ( -9.658 6.392 -27.109) 29.480 4.113 ( -11.307 -24.921 4.919) 27.804 5.263 ( -15.761 -22.233 9.905) 28.997 5.466 ( 10.290 5.027 22.042) 24.840 7.036 ( 2.702 22.418 -3.643) 22.872 7.160 ( -1.604 -2.326 2.777) 3.962 7.726 ( -3.942 0.970 5.474) 6.815 7.945 ( -1.374 9.291 -0.297) 9.397 8.147 ( 5.202 2.276 -3.145) 6.491 8.498 ( 3.489 12.127 -2.554) 12.875 8.937 ( -1.420 -2.408 -2.152) 3.528 9.194 ( -8.017 1.583 0.463) 8.185 9.589 ( 0.321 12.531 4.645) 13.368 11.159 ( 9.952 7.954 -12.032) 17.523 56.322 ( -0.216 -0.642 -0.025) 0.678 56.358 ( -0.592 -1.048 0.123) 1.210 ======================= Grid point 855 (415/424) ======================= q-point: (-0.27 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -17.162 -0.000 22.139) 28.012 2.359 ( -30.742 -0.000 1.354) 30.772 4.329 ( -30.073 -0.000 -9.233) 31.458 4.693 ( -35.320 -0.000 -4.692) 35.631 5.304 ( 11.870 0.000 -8.857) 14.810 5.580 ( -8.034 -0.000 2.088) 8.301 6.927 ( -4.579 -0.000 -7.731) 8.985 7.423 ( -5.753 -0.000 -5.694) 8.094 7.906 ( -6.670 -0.000 8.968) 11.176 8.155 ( 1.291 0.000 -1.066) 1.674 8.732 ( 8.393 0.000 12.964) 15.444 8.864 ( 0.291 0.000 -3.635) 3.647 9.111 ( 1.186 0.000 -11.842) 11.901 9.569 ( 0.463 0.000 11.760) 11.769 10.087 ( 6.763 0.000 17.244) 18.522 10.758 ( 16.507 0.000 -21.579) 27.169 56.313 ( -0.750 -0.000 0.319) 0.815 56.321 ( -0.440 -0.000 -0.327) 0.548 ======================= Grid point 856 (416/424) ======================= q-point: (-0.20 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -29.718 -10.347 1.498) 31.504 2.414 ( -10.102 -20.009 33.082) 39.960 3.925 ( -30.839 6.195 -6.962) 32.217 4.406 ( -37.343 -12.168 -6.290) 39.776 5.276 ( -1.510 10.760 -17.187) 20.333 5.493 ( -3.028 0.254 0.970) 3.190 6.906 ( 0.424 -2.960 -0.719) 3.075 7.380 ( -4.659 -2.904 -5.462) 7.744 7.846 ( -5.276 2.957 9.457) 11.226 8.134 ( 0.805 2.596 0.016) 2.718 8.776 ( 0.563 6.321 1.765) 6.587 8.857 ( -0.205 1.368 1.523) 2.058 9.011 ( 4.909 8.093 -13.080) 16.145 9.552 ( -1.602 5.055 8.602) 10.106 10.153 ( 7.379 7.687 17.357) 20.366 10.941 ( 18.265 -7.200 -17.561) 26.341 56.306 ( -0.674 -0.080 0.207) 0.710 56.320 ( -0.519 -0.556 -0.195) 0.785 ======================= Grid point 857 (417/424) ======================= q-point: (-0.13 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -27.613 -19.792 -3.530) 34.157 2.879 ( -4.886 -29.642 33.687) 45.136 3.527 ( -30.249 0.395 -2.949) 30.396 4.271 ( -26.637 -12.763 -11.556) 31.717 4.830 ( -21.595 13.817 -23.914) 35.059 5.562 ( 7.793 -0.776 10.948) 13.461 7.004 ( 2.349 -5.210 2.241) 6.139 7.368 ( -3.072 -1.555 -4.502) 5.668 7.768 ( -3.812 3.760 9.421) 10.836 8.097 ( -2.182 1.759 1.370) 3.120 8.544 ( -2.777 15.461 -6.429) 16.973 8.796 ( 2.146 5.769 -5.365) 8.165 8.955 ( 4.900 4.272 -1.064) 6.587 9.424 ( -4.258 9.055 3.798) 10.703 10.082 ( 6.086 15.010 14.496) 21.736 11.194 ( 16.498 -5.316 -15.117) 22.999 56.304 ( -0.494 -0.391 0.110) 0.639 56.326 ( -0.587 -0.842 -0.048) 1.027 ======================= Grid point 858 (418/424) ======================= q-point: (-0.07 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -22.996 -26.486 -7.404) 35.848 3.161 ( -21.033 -6.490 3.297) 22.257 3.477 ( -17.492 -26.628 10.026) 33.400 3.937 ( -14.667 17.593 -40.609) 46.623 4.696 ( -16.962 -27.720 15.841) 36.153 5.705 ( 10.678 0.572 18.363) 21.250 7.089 ( 0.183 -2.646 -1.459) 3.027 7.311 ( -0.518 6.180 -1.527) 6.387 7.715 ( -2.555 1.585 6.976) 7.597 8.002 ( -8.443 4.243 1.814) 9.622 8.319 ( 4.603 10.159 -3.722) 11.757 8.692 ( 5.465 8.303 -7.411) 12.399 8.940 ( 2.349 2.540 2.922) 4.529 9.209 ( -7.291 9.478 -0.671) 11.977 9.885 ( 3.539 18.972 9.897) 21.689 11.302 ( 9.070 3.342 -16.457) 19.086 56.309 ( -0.242 -0.657 0.042) 0.702 56.335 ( -0.622 -1.018 0.073) 1.195 ======================= Grid point 871 (419/424) ======================= q-point: (-0.20 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -25.574 -0.000 16.611) 30.495 2.223 ( -8.401 -0.000 37.034) 37.975 3.675 ( -28.174 -0.000 -8.490) 29.426 3.834 ( -44.191 -0.000 -1.462) 44.216 5.344 ( -13.142 -0.000 -13.387) 18.760 5.393 ( 3.245 0.000 -15.606) 15.940 6.884 ( 1.738 0.000 2.554) 3.089 7.301 ( -2.012 -0.000 -4.515) 4.944 7.844 ( -4.847 -0.000 9.254) 10.447 8.141 ( -3.515 -0.000 1.091) 3.681 8.828 ( -1.991 -0.000 -3.191) 3.761 8.900 ( 1.807 0.000 5.168) 5.475 9.084 ( 4.982 0.000 -17.251) 17.957 9.592 ( -3.502 -0.000 5.735) 6.720 10.377 ( 10.561 0.000 20.850) 23.372 11.012 ( 19.559 0.000 -15.570) 25.000 56.299 ( -0.779 -0.000 0.433) 0.891 56.310 ( -0.409 -0.000 -0.425) 0.590 ======================= Grid point 872 (420/424) ======================= q-point: (-0.13 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -22.337 -3.298 16.647) 28.052 2.489 ( -5.323 -22.667 37.040) 43.751 3.227 ( -35.297 5.508 -2.406) 35.806 3.654 ( -30.040 -20.494 0.608) 36.370 4.883 ( -16.214 22.174 -29.952) 40.641 5.522 ( 0.493 -11.615 -6.677) 13.406 6.961 ( 2.960 -3.834 4.558) 6.651 7.300 ( 0.653 -1.538 -3.335) 3.730 7.807 ( -4.154 2.016 9.878) 10.904 8.081 ( -7.237 1.227 2.392) 7.720 8.686 ( -5.380 10.560 -5.967) 13.269 8.894 ( 1.927 2.491 -0.175) 3.154 9.062 ( 5.584 3.217 -12.340) 13.921 9.512 ( -5.288 5.610 1.625) 7.879 10.452 ( 11.203 11.987 19.526) 25.504 11.233 ( 18.628 -5.243 -12.929) 23.273 56.294 ( -0.625 -0.218 0.351) 0.749 56.309 ( -0.440 -0.499 -0.312) 0.735 ======================= Grid point 873 (421/424) ======================= q-point: (-0.07 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -18.896 -14.603 8.199) 25.249 2.841 ( -19.086 -8.657 8.205) 22.506 2.881 ( -29.232 -19.196 8.321) 35.948 3.848 ( -9.346 -13.831 -4.792) 17.367 4.278 ( -16.583 5.882 -13.925) 22.439 5.725 ( 2.637 -12.038 1.455) 12.409 7.049 ( 1.110 -2.437 1.428) 3.035 7.329 ( 2.686 -0.552 -1.973) 3.378 7.761 ( -2.721 2.711 10.165) 10.866 7.961 ( -11.263 2.750 2.233) 11.807 8.462 ( -2.470 7.663 -2.781) 8.518 8.856 ( 5.878 6.149 -5.349) 10.048 9.029 ( 2.907 2.865 -2.656) 4.870 9.312 ( -6.659 10.890 -3.444) 13.221 10.333 ( 9.598 21.754 16.246) 28.797 11.386 ( 10.539 1.642 -15.860) 19.113 56.296 ( -0.344 -0.580 0.233) 0.714 56.314 ( -0.482 -0.795 -0.137) 0.940 ======================= Grid point 887 (422/424) ======================= q-point: (-0.13 -0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -12.892 -0.000 28.295) 31.093 2.328 ( -9.701 -0.000 34.786) 36.114 2.989 ( -34.340 -0.000 15.431) 37.647 3.111 ( -22.096 -0.000 -3.680) 22.401 4.910 ( -16.944 -0.000 -25.124) 30.303 5.252 ( -4.540 -0.000 -25.898) 26.293 6.989 ( 4.466 0.000 7.896) 9.072 7.316 ( 4.918 0.000 -0.861) 4.993 7.807 ( -4.323 -0.000 9.390) 10.337 8.007 ( -10.529 -0.000 2.961) 10.938 8.747 ( -3.192 -0.000 -5.045) 5.970 8.847 ( -6.931 -0.000 -4.416) 8.219 9.106 ( 6.371 0.000 -16.475) 17.664 9.496 ( -6.894 -0.000 -0.205) 6.897 10.754 ( 13.741 0.000 20.632) 24.789 11.362 ( 20.093 0.000 -8.284) 21.733 56.287 ( -0.666 -0.000 0.543) 0.860 56.300 ( -0.281 -0.000 -0.511) 0.583 ======================= Grid point 888 (423/424) ======================= q-point: (-0.07 -0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -6.947 4.953 26.354) 27.700 2.308 ( -33.093 -13.420 7.737) 36.540 2.634 ( -17.620 6.278 13.389) 23.004 3.379 ( -3.163 -33.363 27.030) 43.055 4.355 ( -15.793 25.505 -33.553) 45.008 5.378 ( -6.215 -22.410 -20.729) 31.153 7.066 ( 4.119 -0.405 6.942) 8.083 7.377 ( 6.930 0.185 0.206) 6.936 7.784 ( -4.158 0.799 9.543) 10.440 7.883 ( -12.166 1.746 2.123) 12.473 8.542 ( -5.177 8.942 -3.391) 10.875 8.884 ( -2.911 -6.666 -2.504) 7.693 9.084 ( 4.699 3.994 -13.822) 15.135 9.371 ( -7.309 6.011 -3.298) 10.022 10.823 ( 13.095 15.379 18.975) 27.714 11.509 ( 13.517 3.038 -10.237) 17.226 56.285 ( -0.472 -0.381 0.511) 0.793 56.299 ( -0.238 -0.431 -0.451) 0.668 ======================= Grid point 903 (424/424) ======================= q-point: (-0.07 -0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -2.494 -0.000 13.628) 13.854 1.855 ( -34.715 -0.000 7.573) 35.531 2.822 ( -6.681 -0.000 15.461) 16.843 3.010 ( 4.749 0.000 49.937) 50.162 4.398 ( -16.038 -0.000 -30.668) 34.608 4.937 ( -7.839 -0.000 -35.083) 35.948 7.141 ( 5.942 0.000 8.124) 10.065 7.457 ( 7.148 0.000 0.254) 7.152 7.769 ( -4.619 -0.000 8.157) 9.374 7.783 ( -10.561 -0.000 1.273) 10.637 8.624 ( -10.329 -0.000 -3.415) 10.879 8.652 ( -2.513 -0.000 -6.488) 6.958 9.139 ( 4.667 0.000 -10.539) 11.526 9.338 ( -7.171 -0.000 -2.694) 7.661 11.145 ( 12.161 0.000 18.261) 21.940 11.655 ( 11.426 0.000 -8.305) 14.126 56.279 ( -0.423 -0.000 0.621) 0.752 56.293 ( -0.081 -0.000 -0.576) 0.582 =================== 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 3/28350 10.0 157.908 180.118 262.518 -0.000 70.141 -0.000 3/28350 20.0 86.229 78.322 107.152 -0.000 31.033 0.000 3/28350 30.0 55.326 50.811 60.999 -0.000 16.349 0.000 3/28350 40.0 38.670 36.836 40.959 -0.000 10.150 0.000 3/28350 50.0 28.778 28.303 29.937 -0.000 7.096 0.000 3/28350 60.0 22.433 22.627 23.128 -0.000 5.368 0.000 3/28350 70.0 18.172 18.695 18.651 -0.000 4.290 0.000 3/28350 80.0 15.197 15.881 15.566 -0.000 3.567 0.000 3/28350 90.0 13.043 13.803 13.351 -0.000 3.053 0.000 3/28350 100.0 11.428 12.220 11.700 -0.000 2.673 0.000 3/28350 110.0 10.181 10.980 10.428 -0.000 2.380 0.000 3/28350 120.0 9.190 9.983 9.420 -0.000 2.147 0.000 3/28350 130.0 8.385 9.163 8.602 -0.000 1.959 0.000 3/28350 140.0 7.718 8.477 7.924 -0.000 1.802 0.000 3/28350 150.0 7.155 7.893 7.352 -0.000 1.670 0.000 3/28350 160.0 6.672 7.389 6.862 -0.000 1.557 0.000 3/28350 170.0 6.254 6.949 6.437 -0.000 1.459 0.000 3/28350 180.0 5.888 6.561 6.064 -0.000 1.373 0.000 3/28350 190.0 5.565 6.215 5.734 -0.000 1.297 0.000 3/28350 200.0 5.276 5.906 5.440 -0.000 1.229 0.000 3/28350 210.0 5.017 5.627 5.176 -0.000 1.168 0.000 3/28350 220.0 4.783 5.374 4.937 -0.000 1.113 0.000 3/28350 230.0 4.571 5.143 4.720 -0.000 1.063 0.000 3/28350 240.0 4.377 4.932 4.522 -0.000 1.018 0.000 3/28350 250.0 4.199 4.737 4.340 -0.000 0.976 0.000 3/28350 260.0 4.036 4.558 4.172 -0.000 0.938 0.000 3/28350 270.0 3.885 4.391 4.017 -0.000 0.903 0.000 3/28350 280.0 3.745 4.237 3.874 -0.000 0.870 0.000 3/28350 290.0 3.615 4.093 3.740 -0.000 0.839 0.000 3/28350 300.0 3.493 3.959 3.616 -0.000 0.811 0.000 3/28350 310.0 3.380 3.833 3.499 -0.000 0.785 0.000 3/28350 320.0 3.274 3.715 3.390 -0.000 0.760 0.000 3/28350 330.0 3.175 3.604 3.288 -0.000 0.737 0.000 3/28350 340.0 3.081 3.500 3.191 -0.000 0.715 0.000 3/28350 350.0 2.993 3.401 3.100 -0.000 0.694 0.000 3/28350 360.0 2.910 3.308 3.015 -0.000 0.675 0.000 3/28350 370.0 2.831 3.220 2.934 -0.000 0.657 0.000 3/28350 380.0 2.757 3.136 2.857 -0.000 0.639 0.000 3/28350 390.0 2.686 3.057 2.784 -0.000 0.623 0.000 3/28350 400.0 2.619 2.982 2.715 -0.000 0.607 0.000 3/28350 410.0 2.555 2.910 2.649 -0.000 0.592 0.000 3/28350 420.0 2.495 2.841 2.586 -0.000 0.578 0.000 3/28350 430.0 2.437 2.776 2.526 -0.000 0.565 0.000 3/28350 440.0 2.381 2.714 2.469 -0.000 0.552 0.000 3/28350 450.0 2.329 2.654 2.414 -0.000 0.540 0.000 3/28350 460.0 2.278 2.597 2.362 -0.000 0.528 0.000 3/28350 470.0 2.230 2.542 2.312 -0.000 0.517 0.000 3/28350 480.0 2.184 2.490 2.264 -0.000 0.506 0.000 3/28350 490.0 2.139 2.440 2.218 -0.000 0.496 0.000 3/28350 500.0 2.097 2.391 2.174 -0.000 0.486 0.000 3/28350 510.0 2.056 2.345 2.132 -0.000 0.476 0.000 3/28350 520.0 2.016 2.300 2.091 -0.000 0.467 0.000 3/28350 530.0 1.978 2.257 2.052 -0.000 0.458 0.000 3/28350 540.0 1.942 2.216 2.014 -0.000 0.450 0.000 3/28350 550.0 1.907 2.176 1.977 -0.000 0.442 0.000 3/28350 560.0 1.873 2.138 1.942 -0.000 0.434 0.000 3/28350 570.0 1.840 2.100 1.908 -0.000 0.426 0.000 3/28350 580.0 1.809 2.064 1.876 -0.000 0.419 0.000 3/28350 590.0 1.778 2.030 1.844 -0.000 0.412 0.000 3/28350 600.0 1.749 1.996 1.813 -0.000 0.405 0.000 3/28350 610.0 1.720 1.964 1.784 -0.000 0.398 0.000 3/28350 620.0 1.692 1.932 1.755 -0.000 0.392 0.000 3/28350 630.0 1.666 1.902 1.727 -0.000 0.386 0.000 3/28350 640.0 1.640 1.872 1.700 -0.000 0.380 0.000 3/28350 650.0 1.615 1.844 1.674 -0.000 0.374 0.000 3/28350 660.0 1.590 1.816 1.649 -0.000 0.368 0.000 3/28350 670.0 1.567 1.789 1.625 -0.000 0.363 0.000 3/28350 680.0 1.544 1.763 1.601 -0.000 0.357 0.000 3/28350 690.0 1.522 1.738 1.578 -0.000 0.352 0.000 3/28350 700.0 1.500 1.713 1.555 -0.000 0.347 0.000 3/28350 710.0 1.479 1.689 1.533 -0.000 0.342 0.000 3/28350 720.0 1.459 1.666 1.512 -0.000 0.338 0.000 3/28350 730.0 1.439 1.643 1.492 -0.000 0.333 0.000 3/28350 740.0 1.419 1.621 1.471 -0.000 0.329 0.000 3/28350 750.0 1.400 1.599 1.452 -0.000 0.324 0.000 3/28350 760.0 1.382 1.579 1.433 -0.000 0.320 0.000 3/28350 770.0 1.364 1.558 1.414 -0.000 0.316 0.000 3/28350 780.0 1.347 1.538 1.396 -0.000 0.312 0.000 3/28350 790.0 1.330 1.519 1.379 -0.000 0.308 0.000 3/28350 800.0 1.313 1.500 1.361 -0.000 0.304 0.000 3/28350 810.0 1.297 1.482 1.345 -0.000 0.300 0.000 3/28350 820.0 1.282 1.464 1.328 -0.000 0.297 0.000 3/28350 830.0 1.266 1.446 1.312 -0.000 0.293 0.000 3/28350 840.0 1.251 1.429 1.297 -0.000 0.290 0.000 3/28350 850.0 1.237 1.412 1.282 -0.000 0.286 0.000 3/28350 860.0 1.222 1.396 1.267 -0.000 0.283 0.000 3/28350 870.0 1.208 1.380 1.252 -0.000 0.280 0.000 3/28350 880.0 1.195 1.364 1.238 -0.000 0.276 0.000 3/28350 890.0 1.181 1.349 1.224 -0.000 0.273 0.000 3/28350 900.0 1.168 1.334 1.211 -0.000 0.270 0.000 3/28350 910.0 1.155 1.320 1.197 -0.000 0.267 0.000 3/28350 920.0 1.143 1.305 1.184 -0.000 0.264 0.000 3/28350 930.0 1.131 1.291 1.172 -0.000 0.262 0.000 3/28350 940.0 1.119 1.278 1.159 -0.000 0.259 0.000 3/28350 950.0 1.107 1.264 1.147 -0.000 0.256 0.000 3/28350 960.0 1.095 1.251 1.135 -0.000 0.254 0.000 3/28350 970.0 1.084 1.238 1.124 -0.000 0.251 0.000 3/28350 980.0 1.073 1.226 1.112 -0.000 0.248 0.000 3/28350 990.0 1.062 1.213 1.101 -0.000 0.246 0.000 3/28350 1000.0 1.052 1.201 1.090 -0.000 0.243 0.000 3/28350 Thermal conductivity related properties were written into "kappa-m15157.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:57:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|