----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P321 (150) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.980558897302712 0.000000000000000 0.000000000000000 b -2.990279448651356 5.179315933893198 0.000000000000000 c 0.000000000000000 0.000000000000000 3.809790100000000 Atomic positions (fractional): *1 F 0.25159806637147 0.25159806637147 0.50000000000000 18.998 2 F 0.74840193362853 0.00000000000000 0.50000000000000 18.998 3 F 0.00000000000000 0.74840193362853 0.50000000000000 18.998 *4 F 0.00000000000000 0.37826043806025 0.00000000000000 18.998 5 F 0.37826043806025 0.00000000000000 0.00000000000000 18.998 6 F 0.62173956193975 0.62173956193975 0.00000000000000 18.998 *7 Na 0.66666666666667 0.33333333333333 0.41585255011102 22.990 8 Na 0.33333333333333 0.66666666666667 0.58414744988898 22.990 *9 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.980558897302712 0.000000000000000 0.000000000000000 b -2.990279448651356 5.179315933893198 0.000000000000000 c 0.000000000000000 0.000000000000000 3.809790100000000 Atomic positions (fractional): *1 F 0.25159806637147 0.25159806637147 0.50000000000000 18.998 > 1 2 F 0.74840193362853 0.00000000000000 0.50000000000000 18.998 > 2 3 F 0.00000000000000 0.74840193362853 0.50000000000000 18.998 > 3 *4 F 0.00000000000000 0.37826043806025 0.00000000000000 18.998 > 4 5 F 0.37826043806025 0.00000000000000 0.00000000000000 18.998 > 5 6 F 0.62173956193975 0.62173956193975 0.00000000000000 18.998 > 6 *7 Na 0.66666666666667 0.33333333333333 0.41585255011102 22.990 > 7 8 Na 0.33333333333333 0.66666666666667 0.58414744988898 22.990 > 8 *9 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.961117794605425 0.000000000000000 0.000000000000000 b -5.980558897302712 10.358631867786396 0.000000000000000 c 0.000000000000000 0.000000000000000 15.239160399999999 Atomic positions (fractional): *1 F 0.12579903318573 0.12579903318573 0.12500000000000 18.998 > 1 2 F 0.62579903318573 0.12579903318573 0.12500000000000 18.998 > 1 3 F 0.12579903318573 0.62579903318573 0.12500000000000 18.998 > 1 4 F 0.62579903318573 0.62579903318573 0.12500000000000 18.998 > 1 5 F 0.12579903318573 0.12579903318573 0.37500000000000 18.998 > 1 6 F 0.62579903318573 0.12579903318573 0.37500000000000 18.998 > 1 7 F 0.12579903318573 0.62579903318573 0.37500000000000 18.998 > 1 8 F 0.62579903318573 0.62579903318573 0.37500000000000 18.998 > 1 9 F 0.12579903318573 0.12579903318573 0.62500000000000 18.998 > 1 10 F 0.62579903318573 0.12579903318573 0.62500000000000 18.998 > 1 11 F 0.12579903318573 0.62579903318573 0.62500000000000 18.998 > 1 12 F 0.62579903318573 0.62579903318573 0.62500000000000 18.998 > 1 13 F 0.12579903318573 0.12579903318573 0.87500000000000 18.998 > 1 14 F 0.62579903318573 0.12579903318573 0.87500000000000 18.998 > 1 15 F 0.12579903318573 0.62579903318573 0.87500000000000 18.998 > 1 16 F 0.62579903318573 0.62579903318573 0.87500000000000 18.998 > 1 17 F 0.37420096681427 0.00000000000000 0.12500000000000 18.998 > 2 18 F 0.87420096681427 0.00000000000000 0.12500000000000 18.998 > 2 19 F 0.37420096681427 0.50000000000000 0.12500000000000 18.998 > 2 20 F 0.87420096681427 0.50000000000000 0.12500000000000 18.998 > 2 21 F 0.37420096681427 0.00000000000000 0.37500000000000 18.998 > 2 22 F 0.87420096681427 0.00000000000000 0.37500000000000 18.998 > 2 23 F 0.37420096681427 0.50000000000000 0.37500000000000 18.998 > 2 24 F 0.87420096681427 0.50000000000000 0.37500000000000 18.998 > 2 25 F 0.37420096681427 0.00000000000000 0.62500000000000 18.998 > 2 26 F 0.87420096681427 0.00000000000000 0.62500000000000 18.998 > 2 27 F 0.37420096681427 0.50000000000000 0.62500000000000 18.998 > 2 28 F 0.87420096681427 0.50000000000000 0.62500000000000 18.998 > 2 29 F 0.37420096681427 0.00000000000000 0.87500000000000 18.998 > 2 30 F 0.87420096681427 0.00000000000000 0.87500000000000 18.998 > 2 31 F 0.37420096681427 0.50000000000000 0.87500000000000 18.998 > 2 32 F 0.87420096681427 0.50000000000000 0.87500000000000 18.998 > 2 33 F 0.00000000000000 0.37420096681427 0.12500000000000 18.998 > 3 34 F 0.50000000000000 0.37420096681427 0.12500000000000 18.998 > 3 35 F 0.00000000000000 0.87420096681427 0.12500000000000 18.998 > 3 36 F 0.50000000000000 0.87420096681427 0.12500000000000 18.998 > 3 37 F 0.00000000000000 0.37420096681427 0.37500000000000 18.998 > 3 38 F 0.50000000000000 0.37420096681427 0.37500000000000 18.998 > 3 39 F 0.00000000000000 0.87420096681427 0.37500000000000 18.998 > 3 40 F 0.50000000000000 0.87420096681427 0.37500000000000 18.998 > 3 41 F 0.00000000000000 0.37420096681427 0.62500000000000 18.998 > 3 42 F 0.50000000000000 0.37420096681427 0.62500000000000 18.998 > 3 43 F 0.00000000000000 0.87420096681427 0.62500000000000 18.998 > 3 44 F 0.50000000000000 0.87420096681427 0.62500000000000 18.998 > 3 45 F 0.00000000000000 0.37420096681427 0.87500000000000 18.998 > 3 46 F 0.50000000000000 0.37420096681427 0.87500000000000 18.998 > 3 47 F 0.00000000000000 0.87420096681427 0.87500000000000 18.998 > 3 48 F 0.50000000000000 0.87420096681427 0.87500000000000 18.998 > 3 *49 F 0.00000000000000 0.18913021903012 0.00000000000000 18.998 > 4 50 F 0.50000000000000 0.18913021903012 0.00000000000000 18.998 > 4 51 F 0.00000000000000 0.68913021903012 0.00000000000000 18.998 > 4 52 F 0.50000000000000 0.68913021903012 0.00000000000000 18.998 > 4 53 F 0.00000000000000 0.18913021903012 0.25000000000000 18.998 > 4 54 F 0.50000000000000 0.18913021903012 0.25000000000000 18.998 > 4 55 F 0.00000000000000 0.68913021903012 0.25000000000000 18.998 > 4 56 F 0.50000000000000 0.68913021903012 0.25000000000000 18.998 > 4 57 F 0.00000000000000 0.18913021903012 0.50000000000000 18.998 > 4 58 F 0.50000000000000 0.18913021903012 0.50000000000000 18.998 > 4 59 F 0.00000000000000 0.68913021903012 0.50000000000000 18.998 > 4 60 F 0.50000000000000 0.68913021903012 0.50000000000000 18.998 > 4 61 F 0.00000000000000 0.18913021903012 0.75000000000000 18.998 > 4 62 F 0.50000000000000 0.18913021903012 0.75000000000000 18.998 > 4 63 F 0.00000000000000 0.68913021903012 0.75000000000000 18.998 > 4 64 F 0.50000000000000 0.68913021903012 0.75000000000000 18.998 > 4 65 F 0.18913021903012 0.00000000000000 0.00000000000000 18.998 > 5 66 F 0.68913021903012 0.00000000000000 0.00000000000000 18.998 > 5 67 F 0.18913021903012 0.50000000000000 0.00000000000000 18.998 > 5 68 F 0.68913021903012 0.50000000000000 0.00000000000000 18.998 > 5 69 F 0.18913021903012 0.00000000000000 0.25000000000000 18.998 > 5 70 F 0.68913021903012 0.00000000000000 0.25000000000000 18.998 > 5 71 F 0.18913021903012 0.50000000000000 0.25000000000000 18.998 > 5 72 F 0.68913021903012 0.50000000000000 0.25000000000000 18.998 > 5 73 F 0.18913021903012 0.00000000000000 0.50000000000000 18.998 > 5 74 F 0.68913021903012 0.00000000000000 0.50000000000000 18.998 > 5 75 F 0.18913021903012 0.50000000000000 0.50000000000000 18.998 > 5 76 F 0.68913021903012 0.50000000000000 0.50000000000000 18.998 > 5 77 F 0.18913021903012 0.00000000000000 0.75000000000000 18.998 > 5 78 F 0.68913021903012 0.00000000000000 0.75000000000000 18.998 > 5 79 F 0.18913021903012 0.50000000000000 0.75000000000000 18.998 > 5 80 F 0.68913021903012 0.50000000000000 0.75000000000000 18.998 > 5 81 F 0.31086978096988 0.31086978096988 0.00000000000000 18.998 > 6 82 F 0.81086978096988 0.31086978096988 0.00000000000000 18.998 > 6 83 F 0.31086978096988 0.81086978096988 0.00000000000000 18.998 > 6 84 F 0.81086978096988 0.81086978096988 0.00000000000000 18.998 > 6 85 F 0.31086978096988 0.31086978096988 0.25000000000000 18.998 > 6 86 F 0.81086978096988 0.31086978096988 0.25000000000000 18.998 > 6 87 F 0.31086978096988 0.81086978096988 0.25000000000000 18.998 > 6 88 F 0.81086978096988 0.81086978096988 0.25000000000000 18.998 > 6 89 F 0.31086978096988 0.31086978096988 0.50000000000000 18.998 > 6 90 F 0.81086978096988 0.31086978096988 0.50000000000000 18.998 > 6 91 F 0.31086978096988 0.81086978096988 0.50000000000000 18.998 > 6 92 F 0.81086978096988 0.81086978096988 0.50000000000000 18.998 > 6 93 F 0.31086978096988 0.31086978096988 0.75000000000000 18.998 > 6 94 F 0.81086978096988 0.31086978096988 0.75000000000000 18.998 > 6 95 F 0.31086978096988 0.81086978096988 0.75000000000000 18.998 > 6 96 F 0.81086978096988 0.81086978096988 0.75000000000000 18.998 > 6 *97 Na 0.33333333333333 0.16666666666667 0.10396313752775 22.990 > 7 98 Na 0.83333333333333 0.16666666666667 0.10396313752775 22.990 > 7 99 Na 0.33333333333333 0.66666666666667 0.10396313752775 22.990 > 7 100 Na 0.83333333333333 0.66666666666667 0.10396313752775 22.990 > 7 101 Na 0.33333333333333 0.16666666666667 0.35396313752775 22.990 > 7 102 Na 0.83333333333333 0.16666666666667 0.35396313752775 22.990 > 7 103 Na 0.33333333333333 0.66666666666667 0.35396313752775 22.990 > 7 104 Na 0.83333333333333 0.66666666666667 0.35396313752775 22.990 > 7 105 Na 0.33333333333333 0.16666666666667 0.60396313752775 22.990 > 7 106 Na 0.83333333333333 0.16666666666667 0.60396313752775 22.990 > 7 107 Na 0.33333333333333 0.66666666666667 0.60396313752775 22.990 > 7 108 Na 0.83333333333333 0.66666666666667 0.60396313752775 22.990 > 7 109 Na 0.33333333333333 0.16666666666667 0.85396313752775 22.990 > 7 110 Na 0.83333333333333 0.16666666666667 0.85396313752775 22.990 > 7 111 Na 0.33333333333333 0.66666666666667 0.85396313752775 22.990 > 7 112 Na 0.83333333333333 0.66666666666667 0.85396313752775 22.990 > 7 113 Na 0.16666666666667 0.33333333333333 0.14603686247225 22.990 > 8 114 Na 0.66666666666667 0.33333333333333 0.14603686247225 22.990 > 8 115 Na 0.16666666666667 0.83333333333333 0.14603686247225 22.990 > 8 116 Na 0.66666666666667 0.83333333333333 0.14603686247225 22.990 > 8 117 Na 0.16666666666667 0.33333333333333 0.39603686247225 22.990 > 8 118 Na 0.66666666666667 0.33333333333333 0.39603686247225 22.990 > 8 119 Na 0.16666666666667 0.83333333333333 0.39603686247225 22.990 > 8 120 Na 0.66666666666667 0.83333333333333 0.39603686247225 22.990 > 8 121 Na 0.16666666666667 0.33333333333333 0.64603686247225 22.990 > 8 122 Na 0.66666666666667 0.33333333333333 0.64603686247225 22.990 > 8 123 Na 0.16666666666667 0.83333333333333 0.64603686247225 22.990 > 8 124 Na 0.66666666666667 0.83333333333333 0.64603686247225 22.990 > 8 125 Na 0.16666666666667 0.33333333333333 0.89603686247225 22.990 > 8 126 Na 0.66666666666667 0.33333333333333 0.89603686247225 22.990 > 8 127 Na 0.16666666666667 0.83333333333333 0.89603686247225 22.990 > 8 128 Na 0.66666666666667 0.83333333333333 0.89603686247225 22.990 > 8 *129 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 9 130 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 9 131 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 9 132 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 9 133 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 9 134 Th 0.50000000000000 0.00000000000000 0.25000000000000 232.038 > 9 135 Th 0.00000000000000 0.50000000000000 0.25000000000000 232.038 > 9 136 Th 0.50000000000000 0.50000000000000 0.25000000000000 232.038 > 9 137 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 9 138 Th 0.50000000000000 0.00000000000000 0.50000000000000 232.038 > 9 139 Th 0.00000000000000 0.50000000000000 0.50000000000000 232.038 > 9 140 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 9 141 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 9 142 Th 0.50000000000000 0.00000000000000 0.75000000000000 232.038 > 9 143 Th 0.00000000000000 0.50000000000000 0.75000000000000 232.038 > 9 144 Th 0.50000000000000 0.50000000000000 0.75000000000000 232.038 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3256388 -0.0000000 0.0000000 0.0000000 2.3256388 0.0000000 0.0000000 0.0000000 2.4976759 -------------------------- Born effective charges -------------------------- 1 F -0.8128157 -0.2420683 0.0102031 -0.2420683 -1.0923321 -0.0058907 0.0129882 -0.0074988 -1.7880770 2 F -1.2320902 -0.0000000 -0.0000000 0.0000000 -0.6730575 0.0117815 0.0000000 0.0149975 -1.7880770 3 F -0.8128157 0.2420683 -0.0102031 0.2420683 -1.0923321 -0.0058907 -0.0129882 -0.0074988 -1.7880770 4 F -1.0418055 0.5171789 0.0196434 0.5171789 -1.6389922 0.0113412 0.0214708 0.0123962 -0.8455451 5 F -1.9375856 -0.0000000 0.0000000 0.0000000 -0.7432121 -0.0226823 0.0000000 -0.0247924 -0.8455451 6 F -1.0418055 -0.5171789 -0.0196434 -0.5171789 -1.6389922 0.0113412 -0.0214708 0.0123962 -0.8455451 7 Na 1.1695069 0.0369002 0.0000000 -0.0369002 1.1695069 0.0000000 0.0000000 -0.0000000 1.0453112 8 Na 1.1695069 -0.0369002 0.0000000 0.0369002 1.1695069 0.0000000 0.0000000 -0.0000000 1.0453112 9 Th 4.5399043 0.0000000 0.0000000 0.0000000 4.5399043 0.0000000 0.0000000 -0.0000000 5.8102437 ---------------------------------------------------------------------------- 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: 6426/6426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1049 Number of blocks in projector: 519 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1049, 1034), data: False |-- (1, 1), data: True |-- (144, 140), data: True |-- (420, 416), data: True |-- (484, 477), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.021 Solver_block: 100 / 240 - Time: 1.392 Solver_block: 200 / 240 - Time: 1.446 Solver_block: 240 / 240 - Time: 0.635 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.513 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 6426/6426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1049 Number of blocks in projector: 519 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1049, 1034), data: False |-- (1, 1), data: True |-- (144, 140), data: True |-- (420, 416), data: True |-- (484, 477), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:29:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:29:21]------------------------- 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 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P321 (150) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.980558897302712 0.000000000000000 0.000000000000000 b -2.990279448651356 5.179315933893198 0.000000000000000 c 0.000000000000000 0.000000000000000 3.809790100000000 Atomic positions (fractional): 1 F 0.25159806637147 0.25159806637147 0.50000000000000 18.998 2 F 0.74840193362853 0.00000000000000 0.50000000000000 18.998 3 F 0.00000000000000 0.74840193362853 0.50000000000000 18.998 4 F 0.00000000000000 0.37826043806025 0.00000000000000 18.998 5 F 0.37826043806025 0.00000000000000 0.00000000000000 18.998 6 F 0.62173956193975 0.62173956193975 0.00000000000000 18.998 7 Na 0.66666666666667 0.33333333333333 0.41585255011102 22.990 8 Na 0.33333333333333 0.66666666666667 0.58414744988898 22.990 9 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.961117794605425 0.000000000000000 0.000000000000000 b -5.980558897302712 10.358631867786396 0.000000000000000 c 0.000000000000000 0.000000000000000 15.239160399999999 Atomic positions (fractional): 1 F 0.12579903318573 0.12579903318573 0.12500000000000 18.998 > 1 2 F 0.62579903318573 0.12579903318573 0.12500000000000 18.998 > 1 3 F 0.12579903318573 0.62579903318573 0.12500000000000 18.998 > 1 4 F 0.62579903318573 0.62579903318573 0.12500000000000 18.998 > 1 5 F 0.12579903318573 0.12579903318573 0.37500000000000 18.998 > 1 6 F 0.62579903318573 0.12579903318573 0.37500000000000 18.998 > 1 7 F 0.12579903318573 0.62579903318573 0.37500000000000 18.998 > 1 8 F 0.62579903318573 0.62579903318573 0.37500000000000 18.998 > 1 9 F 0.12579903318573 0.12579903318573 0.62500000000000 18.998 > 1 10 F 0.62579903318573 0.12579903318573 0.62500000000000 18.998 > 1 11 F 0.12579903318573 0.62579903318573 0.62500000000000 18.998 > 1 12 F 0.62579903318573 0.62579903318573 0.62500000000000 18.998 > 1 13 F 0.12579903318573 0.12579903318573 0.87500000000000 18.998 > 1 14 F 0.62579903318573 0.12579903318573 0.87500000000000 18.998 > 1 15 F 0.12579903318573 0.62579903318573 0.87500000000000 18.998 > 1 16 F 0.62579903318573 0.62579903318573 0.87500000000000 18.998 > 1 17 F 0.37420096681427 0.00000000000000 0.12500000000000 18.998 > 17 18 F 0.87420096681427 0.00000000000000 0.12500000000000 18.998 > 17 19 F 0.37420096681427 0.50000000000000 0.12500000000000 18.998 > 17 20 F 0.87420096681427 0.50000000000000 0.12500000000000 18.998 > 17 21 F 0.37420096681427 0.00000000000000 0.37500000000000 18.998 > 17 22 F 0.87420096681427 0.00000000000000 0.37500000000000 18.998 > 17 23 F 0.37420096681427 0.50000000000000 0.37500000000000 18.998 > 17 24 F 0.87420096681427 0.50000000000000 0.37500000000000 18.998 > 17 25 F 0.37420096681427 0.00000000000000 0.62500000000000 18.998 > 17 26 F 0.87420096681427 0.00000000000000 0.62500000000000 18.998 > 17 27 F 0.37420096681427 0.50000000000000 0.62500000000000 18.998 > 17 28 F 0.87420096681427 0.50000000000000 0.62500000000000 18.998 > 17 29 F 0.37420096681427 0.00000000000000 0.87500000000000 18.998 > 17 30 F 0.87420096681427 0.00000000000000 0.87500000000000 18.998 > 17 31 F 0.37420096681427 0.50000000000000 0.87500000000000 18.998 > 17 32 F 0.87420096681427 0.50000000000000 0.87500000000000 18.998 > 17 33 F 0.00000000000000 0.37420096681427 0.12500000000000 18.998 > 33 34 F 0.50000000000000 0.37420096681427 0.12500000000000 18.998 > 33 35 F 0.00000000000000 0.87420096681427 0.12500000000000 18.998 > 33 36 F 0.50000000000000 0.87420096681427 0.12500000000000 18.998 > 33 37 F 0.00000000000000 0.37420096681427 0.37500000000000 18.998 > 33 38 F 0.50000000000000 0.37420096681427 0.37500000000000 18.998 > 33 39 F 0.00000000000000 0.87420096681427 0.37500000000000 18.998 > 33 40 F 0.50000000000000 0.87420096681427 0.37500000000000 18.998 > 33 41 F 0.00000000000000 0.37420096681427 0.62500000000000 18.998 > 33 42 F 0.50000000000000 0.37420096681427 0.62500000000000 18.998 > 33 43 F 0.00000000000000 0.87420096681427 0.62500000000000 18.998 > 33 44 F 0.50000000000000 0.87420096681427 0.62500000000000 18.998 > 33 45 F 0.00000000000000 0.37420096681427 0.87500000000000 18.998 > 33 46 F 0.50000000000000 0.37420096681427 0.87500000000000 18.998 > 33 47 F 0.00000000000000 0.87420096681427 0.87500000000000 18.998 > 33 48 F 0.50000000000000 0.87420096681427 0.87500000000000 18.998 > 33 49 F 0.00000000000000 0.18913021903012 0.00000000000000 18.998 > 49 50 F 0.50000000000000 0.18913021903012 0.00000000000000 18.998 > 49 51 F 0.00000000000000 0.68913021903012 0.00000000000000 18.998 > 49 52 F 0.50000000000000 0.68913021903012 0.00000000000000 18.998 > 49 53 F 0.00000000000000 0.18913021903012 0.25000000000000 18.998 > 49 54 F 0.50000000000000 0.18913021903012 0.25000000000000 18.998 > 49 55 F 0.00000000000000 0.68913021903012 0.25000000000000 18.998 > 49 56 F 0.50000000000000 0.68913021903012 0.25000000000000 18.998 > 49 57 F 0.00000000000000 0.18913021903012 0.50000000000000 18.998 > 49 58 F 0.50000000000000 0.18913021903012 0.50000000000000 18.998 > 49 59 F 0.00000000000000 0.68913021903012 0.50000000000000 18.998 > 49 60 F 0.50000000000000 0.68913021903012 0.50000000000000 18.998 > 49 61 F 0.00000000000000 0.18913021903012 0.75000000000000 18.998 > 49 62 F 0.50000000000000 0.18913021903012 0.75000000000000 18.998 > 49 63 F 0.00000000000000 0.68913021903012 0.75000000000000 18.998 > 49 64 F 0.50000000000000 0.68913021903012 0.75000000000000 18.998 > 49 65 F 0.18913021903012 0.00000000000000 0.00000000000000 18.998 > 65 66 F 0.68913021903012 0.00000000000000 0.00000000000000 18.998 > 65 67 F 0.18913021903012 0.50000000000000 0.00000000000000 18.998 > 65 68 F 0.68913021903012 0.50000000000000 0.00000000000000 18.998 > 65 69 F 0.18913021903012 0.00000000000000 0.25000000000000 18.998 > 65 70 F 0.68913021903012 0.00000000000000 0.25000000000000 18.998 > 65 71 F 0.18913021903012 0.50000000000000 0.25000000000000 18.998 > 65 72 F 0.68913021903012 0.50000000000000 0.25000000000000 18.998 > 65 73 F 0.18913021903012 0.00000000000000 0.50000000000000 18.998 > 65 74 F 0.68913021903012 0.00000000000000 0.50000000000000 18.998 > 65 75 F 0.18913021903012 0.50000000000000 0.50000000000000 18.998 > 65 76 F 0.68913021903012 0.50000000000000 0.50000000000000 18.998 > 65 77 F 0.18913021903012 0.00000000000000 0.75000000000000 18.998 > 65 78 F 0.68913021903012 0.00000000000000 0.75000000000000 18.998 > 65 79 F 0.18913021903012 0.50000000000000 0.75000000000000 18.998 > 65 80 F 0.68913021903012 0.50000000000000 0.75000000000000 18.998 > 65 81 F 0.31086978096988 0.31086978096988 0.00000000000000 18.998 > 81 82 F 0.81086978096988 0.31086978096988 0.00000000000000 18.998 > 81 83 F 0.31086978096988 0.81086978096988 0.00000000000000 18.998 > 81 84 F 0.81086978096988 0.81086978096988 0.00000000000000 18.998 > 81 85 F 0.31086978096988 0.31086978096988 0.25000000000000 18.998 > 81 86 F 0.81086978096988 0.31086978096988 0.25000000000000 18.998 > 81 87 F 0.31086978096988 0.81086978096988 0.25000000000000 18.998 > 81 88 F 0.81086978096988 0.81086978096988 0.25000000000000 18.998 > 81 89 F 0.31086978096988 0.31086978096988 0.50000000000000 18.998 > 81 90 F 0.81086978096988 0.31086978096988 0.50000000000000 18.998 > 81 91 F 0.31086978096988 0.81086978096988 0.50000000000000 18.998 > 81 92 F 0.81086978096988 0.81086978096988 0.50000000000000 18.998 > 81 93 F 0.31086978096988 0.31086978096988 0.75000000000000 18.998 > 81 94 F 0.81086978096988 0.31086978096988 0.75000000000000 18.998 > 81 95 F 0.31086978096988 0.81086978096988 0.75000000000000 18.998 > 81 96 F 0.81086978096988 0.81086978096988 0.75000000000000 18.998 > 81 97 Na 0.33333333333333 0.16666666666667 0.10396313752775 22.990 > 97 98 Na 0.83333333333333 0.16666666666667 0.10396313752775 22.990 > 97 99 Na 0.33333333333333 0.66666666666667 0.10396313752775 22.990 > 97 100 Na 0.83333333333333 0.66666666666667 0.10396313752775 22.990 > 97 101 Na 0.33333333333333 0.16666666666667 0.35396313752775 22.990 > 97 102 Na 0.83333333333333 0.16666666666667 0.35396313752775 22.990 > 97 103 Na 0.33333333333333 0.66666666666667 0.35396313752775 22.990 > 97 104 Na 0.83333333333333 0.66666666666667 0.35396313752775 22.990 > 97 105 Na 0.33333333333333 0.16666666666667 0.60396313752775 22.990 > 97 106 Na 0.83333333333333 0.16666666666667 0.60396313752775 22.990 > 97 107 Na 0.33333333333333 0.66666666666667 0.60396313752775 22.990 > 97 108 Na 0.83333333333333 0.66666666666667 0.60396313752775 22.990 > 97 109 Na 0.33333333333333 0.16666666666667 0.85396313752775 22.990 > 97 110 Na 0.83333333333333 0.16666666666667 0.85396313752775 22.990 > 97 111 Na 0.33333333333333 0.66666666666667 0.85396313752775 22.990 > 97 112 Na 0.83333333333333 0.66666666666667 0.85396313752775 22.990 > 97 113 Na 0.16666666666667 0.33333333333333 0.14603686247225 22.990 > 113 114 Na 0.66666666666667 0.33333333333333 0.14603686247225 22.990 > 113 115 Na 0.16666666666667 0.83333333333333 0.14603686247225 22.990 > 113 116 Na 0.66666666666667 0.83333333333333 0.14603686247225 22.990 > 113 117 Na 0.16666666666667 0.33333333333333 0.39603686247225 22.990 > 113 118 Na 0.66666666666667 0.33333333333333 0.39603686247225 22.990 > 113 119 Na 0.16666666666667 0.83333333333333 0.39603686247225 22.990 > 113 120 Na 0.66666666666667 0.83333333333333 0.39603686247225 22.990 > 113 121 Na 0.16666666666667 0.33333333333333 0.64603686247225 22.990 > 113 122 Na 0.66666666666667 0.33333333333333 0.64603686247225 22.990 > 113 123 Na 0.16666666666667 0.83333333333333 0.64603686247225 22.990 > 113 124 Na 0.66666666666667 0.83333333333333 0.64603686247225 22.990 > 113 125 Na 0.16666666666667 0.33333333333333 0.89603686247225 22.990 > 113 126 Na 0.66666666666667 0.33333333333333 0.89603686247225 22.990 > 113 127 Na 0.16666666666667 0.83333333333333 0.89603686247225 22.990 > 113 128 Na 0.66666666666667 0.83333333333333 0.89603686247225 22.990 > 113 129 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 129 130 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 129 131 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 129 132 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 129 133 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 129 134 Th 0.50000000000000 0.00000000000000 0.25000000000000 232.038 > 129 135 Th 0.00000000000000 0.50000000000000 0.25000000000000 232.038 > 129 136 Th 0.50000000000000 0.50000000000000 0.25000000000000 232.038 > 129 137 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 129 138 Th 0.50000000000000 0.00000000000000 0.50000000000000 232.038 > 129 139 Th 0.00000000000000 0.50000000000000 0.50000000000000 232.038 > 129 140 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 129 141 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 129 142 Th 0.50000000000000 0.00000000000000 0.75000000000000 232.038 > 129 143 Th 0.00000000000000 0.50000000000000 0.75000000000000 232.038 > 129 144 Th 0.50000000000000 0.50000000000000 0.75000000000000 232.038 > 129 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3256388 -0.0000000 0.0000000 0.0000000 2.3256388 0.0000000 0.0000000 0.0000000 2.4976759 -------------------------- Born effective charges -------------------------- 1 F -0.8128157 -0.2420683 0.0102031 -0.2420683 -1.0923321 -0.0058907 0.0129882 -0.0074988 -1.7880770 2 F -1.2320902 -0.0000000 -0.0000000 0.0000000 -0.6730575 0.0117815 0.0000000 0.0149975 -1.7880770 3 F -0.8128157 0.2420683 -0.0102031 0.2420683 -1.0923321 -0.0058907 -0.0129882 -0.0074988 -1.7880770 4 F -1.0418055 0.5171789 0.0196434 0.5171789 -1.6389922 0.0113412 0.0214708 0.0123962 -0.8455451 5 F -1.9375856 -0.0000000 0.0000000 0.0000000 -0.7432121 -0.0226823 0.0000000 -0.0247924 -0.8455451 6 F -1.0418055 -0.5171789 -0.0196434 -0.5171789 -1.6389922 0.0113412 -0.0214708 0.0123962 -0.8455451 7 Na 1.1695069 0.0369002 0.0000000 -0.0369002 1.1695069 0.0000000 0.0000000 -0.0000000 1.0453112 8 Na 1.1695069 -0.0369002 0.0000000 0.0369002 1.1695069 0.0000000 0.0000000 -0.0000000 1.0453112 9 Th 4.5399043 0.0000000 0.0000000 0.0000000 4.5399043 0.0000000 0.0000000 -0.0000000 5.8102437 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (yxy) 0.00000009 (yxy) 0.00000009 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yx) 0.00000003 (yx) 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 20:29:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:29:36]------------------------- 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 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P321 (150) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.980558897302712 0.000000000000000 0.000000000000000 b -2.990279448651356 5.179315933893198 0.000000000000000 c 0.000000000000000 0.000000000000000 3.809790100000000 Atomic positions (fractional): 1 F 0.25159806637147 0.25159806637147 0.50000000000000 18.998 2 F 0.74840193362853 0.00000000000000 0.50000000000000 18.998 3 F 0.00000000000000 0.74840193362853 0.50000000000000 18.998 4 F 0.00000000000000 0.37826043806025 0.00000000000000 18.998 5 F 0.37826043806025 0.00000000000000 0.00000000000000 18.998 6 F 0.62173956193975 0.62173956193975 0.00000000000000 18.998 7 Na 0.66666666666667 0.33333333333333 0.41585255011102 22.990 8 Na 0.33333333333333 0.66666666666667 0.58414744988898 22.990 9 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.961117794605425 0.000000000000000 0.000000000000000 b -5.980558897302712 10.358631867786396 0.000000000000000 c 0.000000000000000 0.000000000000000 15.239160399999999 Atomic positions (fractional): 1 F 0.12579903318573 0.12579903318573 0.12500000000000 18.998 > 1 2 F 0.62579903318573 0.12579903318573 0.12500000000000 18.998 > 1 3 F 0.12579903318573 0.62579903318573 0.12500000000000 18.998 > 1 4 F 0.62579903318573 0.62579903318573 0.12500000000000 18.998 > 1 5 F 0.12579903318573 0.12579903318573 0.37500000000000 18.998 > 1 6 F 0.62579903318573 0.12579903318573 0.37500000000000 18.998 > 1 7 F 0.12579903318573 0.62579903318573 0.37500000000000 18.998 > 1 8 F 0.62579903318573 0.62579903318573 0.37500000000000 18.998 > 1 9 F 0.12579903318573 0.12579903318573 0.62500000000000 18.998 > 1 10 F 0.62579903318573 0.12579903318573 0.62500000000000 18.998 > 1 11 F 0.12579903318573 0.62579903318573 0.62500000000000 18.998 > 1 12 F 0.62579903318573 0.62579903318573 0.62500000000000 18.998 > 1 13 F 0.12579903318573 0.12579903318573 0.87500000000000 18.998 > 1 14 F 0.62579903318573 0.12579903318573 0.87500000000000 18.998 > 1 15 F 0.12579903318573 0.62579903318573 0.87500000000000 18.998 > 1 16 F 0.62579903318573 0.62579903318573 0.87500000000000 18.998 > 1 17 F 0.37420096681427 0.00000000000000 0.12500000000000 18.998 > 17 18 F 0.87420096681427 0.00000000000000 0.12500000000000 18.998 > 17 19 F 0.37420096681427 0.50000000000000 0.12500000000000 18.998 > 17 20 F 0.87420096681427 0.50000000000000 0.12500000000000 18.998 > 17 21 F 0.37420096681427 0.00000000000000 0.37500000000000 18.998 > 17 22 F 0.87420096681427 0.00000000000000 0.37500000000000 18.998 > 17 23 F 0.37420096681427 0.50000000000000 0.37500000000000 18.998 > 17 24 F 0.87420096681427 0.50000000000000 0.37500000000000 18.998 > 17 25 F 0.37420096681427 0.00000000000000 0.62500000000000 18.998 > 17 26 F 0.87420096681427 0.00000000000000 0.62500000000000 18.998 > 17 27 F 0.37420096681427 0.50000000000000 0.62500000000000 18.998 > 17 28 F 0.87420096681427 0.50000000000000 0.62500000000000 18.998 > 17 29 F 0.37420096681427 0.00000000000000 0.87500000000000 18.998 > 17 30 F 0.87420096681427 0.00000000000000 0.87500000000000 18.998 > 17 31 F 0.37420096681427 0.50000000000000 0.87500000000000 18.998 > 17 32 F 0.87420096681427 0.50000000000000 0.87500000000000 18.998 > 17 33 F 0.00000000000000 0.37420096681427 0.12500000000000 18.998 > 33 34 F 0.50000000000000 0.37420096681427 0.12500000000000 18.998 > 33 35 F 0.00000000000000 0.87420096681427 0.12500000000000 18.998 > 33 36 F 0.50000000000000 0.87420096681427 0.12500000000000 18.998 > 33 37 F 0.00000000000000 0.37420096681427 0.37500000000000 18.998 > 33 38 F 0.50000000000000 0.37420096681427 0.37500000000000 18.998 > 33 39 F 0.00000000000000 0.87420096681427 0.37500000000000 18.998 > 33 40 F 0.50000000000000 0.87420096681427 0.37500000000000 18.998 > 33 41 F 0.00000000000000 0.37420096681427 0.62500000000000 18.998 > 33 42 F 0.50000000000000 0.37420096681427 0.62500000000000 18.998 > 33 43 F 0.00000000000000 0.87420096681427 0.62500000000000 18.998 > 33 44 F 0.50000000000000 0.87420096681427 0.62500000000000 18.998 > 33 45 F 0.00000000000000 0.37420096681427 0.87500000000000 18.998 > 33 46 F 0.50000000000000 0.37420096681427 0.87500000000000 18.998 > 33 47 F 0.00000000000000 0.87420096681427 0.87500000000000 18.998 > 33 48 F 0.50000000000000 0.87420096681427 0.87500000000000 18.998 > 33 49 F 0.00000000000000 0.18913021903012 0.00000000000000 18.998 > 49 50 F 0.50000000000000 0.18913021903012 0.00000000000000 18.998 > 49 51 F 0.00000000000000 0.68913021903012 0.00000000000000 18.998 > 49 52 F 0.50000000000000 0.68913021903012 0.00000000000000 18.998 > 49 53 F 0.00000000000000 0.18913021903012 0.25000000000000 18.998 > 49 54 F 0.50000000000000 0.18913021903012 0.25000000000000 18.998 > 49 55 F 0.00000000000000 0.68913021903012 0.25000000000000 18.998 > 49 56 F 0.50000000000000 0.68913021903012 0.25000000000000 18.998 > 49 57 F 0.00000000000000 0.18913021903012 0.50000000000000 18.998 > 49 58 F 0.50000000000000 0.18913021903012 0.50000000000000 18.998 > 49 59 F 0.00000000000000 0.68913021903012 0.50000000000000 18.998 > 49 60 F 0.50000000000000 0.68913021903012 0.50000000000000 18.998 > 49 61 F 0.00000000000000 0.18913021903012 0.75000000000000 18.998 > 49 62 F 0.50000000000000 0.18913021903012 0.75000000000000 18.998 > 49 63 F 0.00000000000000 0.68913021903012 0.75000000000000 18.998 > 49 64 F 0.50000000000000 0.68913021903012 0.75000000000000 18.998 > 49 65 F 0.18913021903012 0.00000000000000 0.00000000000000 18.998 > 65 66 F 0.68913021903012 0.00000000000000 0.00000000000000 18.998 > 65 67 F 0.18913021903012 0.50000000000000 0.00000000000000 18.998 > 65 68 F 0.68913021903012 0.50000000000000 0.00000000000000 18.998 > 65 69 F 0.18913021903012 0.00000000000000 0.25000000000000 18.998 > 65 70 F 0.68913021903012 0.00000000000000 0.25000000000000 18.998 > 65 71 F 0.18913021903012 0.50000000000000 0.25000000000000 18.998 > 65 72 F 0.68913021903012 0.50000000000000 0.25000000000000 18.998 > 65 73 F 0.18913021903012 0.00000000000000 0.50000000000000 18.998 > 65 74 F 0.68913021903012 0.00000000000000 0.50000000000000 18.998 > 65 75 F 0.18913021903012 0.50000000000000 0.50000000000000 18.998 > 65 76 F 0.68913021903012 0.50000000000000 0.50000000000000 18.998 > 65 77 F 0.18913021903012 0.00000000000000 0.75000000000000 18.998 > 65 78 F 0.68913021903012 0.00000000000000 0.75000000000000 18.998 > 65 79 F 0.18913021903012 0.50000000000000 0.75000000000000 18.998 > 65 80 F 0.68913021903012 0.50000000000000 0.75000000000000 18.998 > 65 81 F 0.31086978096988 0.31086978096988 0.00000000000000 18.998 > 81 82 F 0.81086978096988 0.31086978096988 0.00000000000000 18.998 > 81 83 F 0.31086978096988 0.81086978096988 0.00000000000000 18.998 > 81 84 F 0.81086978096988 0.81086978096988 0.00000000000000 18.998 > 81 85 F 0.31086978096988 0.31086978096988 0.25000000000000 18.998 > 81 86 F 0.81086978096988 0.31086978096988 0.25000000000000 18.998 > 81 87 F 0.31086978096988 0.81086978096988 0.25000000000000 18.998 > 81 88 F 0.81086978096988 0.81086978096988 0.25000000000000 18.998 > 81 89 F 0.31086978096988 0.31086978096988 0.50000000000000 18.998 > 81 90 F 0.81086978096988 0.31086978096988 0.50000000000000 18.998 > 81 91 F 0.31086978096988 0.81086978096988 0.50000000000000 18.998 > 81 92 F 0.81086978096988 0.81086978096988 0.50000000000000 18.998 > 81 93 F 0.31086978096988 0.31086978096988 0.75000000000000 18.998 > 81 94 F 0.81086978096988 0.31086978096988 0.75000000000000 18.998 > 81 95 F 0.31086978096988 0.81086978096988 0.75000000000000 18.998 > 81 96 F 0.81086978096988 0.81086978096988 0.75000000000000 18.998 > 81 97 Na 0.33333333333333 0.16666666666667 0.10396313752775 22.990 > 97 98 Na 0.83333333333333 0.16666666666667 0.10396313752775 22.990 > 97 99 Na 0.33333333333333 0.66666666666667 0.10396313752775 22.990 > 97 100 Na 0.83333333333333 0.66666666666667 0.10396313752775 22.990 > 97 101 Na 0.33333333333333 0.16666666666667 0.35396313752775 22.990 > 97 102 Na 0.83333333333333 0.16666666666667 0.35396313752775 22.990 > 97 103 Na 0.33333333333333 0.66666666666667 0.35396313752775 22.990 > 97 104 Na 0.83333333333333 0.66666666666667 0.35396313752775 22.990 > 97 105 Na 0.33333333333333 0.16666666666667 0.60396313752775 22.990 > 97 106 Na 0.83333333333333 0.16666666666667 0.60396313752775 22.990 > 97 107 Na 0.33333333333333 0.66666666666667 0.60396313752775 22.990 > 97 108 Na 0.83333333333333 0.66666666666667 0.60396313752775 22.990 > 97 109 Na 0.33333333333333 0.16666666666667 0.85396313752775 22.990 > 97 110 Na 0.83333333333333 0.16666666666667 0.85396313752775 22.990 > 97 111 Na 0.33333333333333 0.66666666666667 0.85396313752775 22.990 > 97 112 Na 0.83333333333333 0.66666666666667 0.85396313752775 22.990 > 97 113 Na 0.16666666666667 0.33333333333333 0.14603686247225 22.990 > 113 114 Na 0.66666666666667 0.33333333333333 0.14603686247225 22.990 > 113 115 Na 0.16666666666667 0.83333333333333 0.14603686247225 22.990 > 113 116 Na 0.66666666666667 0.83333333333333 0.14603686247225 22.990 > 113 117 Na 0.16666666666667 0.33333333333333 0.39603686247225 22.990 > 113 118 Na 0.66666666666667 0.33333333333333 0.39603686247225 22.990 > 113 119 Na 0.16666666666667 0.83333333333333 0.39603686247225 22.990 > 113 120 Na 0.66666666666667 0.83333333333333 0.39603686247225 22.990 > 113 121 Na 0.16666666666667 0.33333333333333 0.64603686247225 22.990 > 113 122 Na 0.66666666666667 0.33333333333333 0.64603686247225 22.990 > 113 123 Na 0.16666666666667 0.83333333333333 0.64603686247225 22.990 > 113 124 Na 0.66666666666667 0.83333333333333 0.64603686247225 22.990 > 113 125 Na 0.16666666666667 0.33333333333333 0.89603686247225 22.990 > 113 126 Na 0.66666666666667 0.33333333333333 0.89603686247225 22.990 > 113 127 Na 0.16666666666667 0.83333333333333 0.89603686247225 22.990 > 113 128 Na 0.66666666666667 0.83333333333333 0.89603686247225 22.990 > 113 129 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 129 130 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 129 131 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 129 132 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 129 133 Th 0.00000000000000 0.00000000000000 0.25000000000000 232.038 > 129 134 Th 0.50000000000000 0.00000000000000 0.25000000000000 232.038 > 129 135 Th 0.00000000000000 0.50000000000000 0.25000000000000 232.038 > 129 136 Th 0.50000000000000 0.50000000000000 0.25000000000000 232.038 > 129 137 Th 0.00000000000000 0.00000000000000 0.50000000000000 232.038 > 129 138 Th 0.50000000000000 0.00000000000000 0.50000000000000 232.038 > 129 139 Th 0.00000000000000 0.50000000000000 0.50000000000000 232.038 > 129 140 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 129 141 Th 0.00000000000000 0.00000000000000 0.75000000000000 232.038 > 129 142 Th 0.50000000000000 0.00000000000000 0.75000000000000 232.038 > 129 143 Th 0.00000000000000 0.50000000000000 0.75000000000000 232.038 > 129 144 Th 0.50000000000000 0.50000000000000 0.75000000000000 232.038 > 129 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3256388 -0.0000000 0.0000000 0.0000000 2.3256388 0.0000000 0.0000000 0.0000000 2.4976759 -------------------------- Born effective charges -------------------------- 1 F -0.8128157 -0.2420683 0.0102031 -0.2420683 -1.0923321 -0.0058907 0.0129882 -0.0074988 -1.7880770 2 F -1.2320902 -0.0000000 -0.0000000 0.0000000 -0.6730575 0.0117815 0.0000000 0.0149975 -1.7880770 3 F -0.8128157 0.2420683 -0.0102031 0.2420683 -1.0923321 -0.0058907 -0.0129882 -0.0074988 -1.7880770 4 F -1.0418055 0.5171789 0.0196434 0.5171789 -1.6389922 0.0113412 0.0214708 0.0123962 -0.8455451 5 F -1.9375856 -0.0000000 0.0000000 0.0000000 -0.7432121 -0.0226823 0.0000000 -0.0247924 -0.8455451 6 F -1.0418055 -0.5171789 -0.0196434 -0.5171789 -1.6389922 0.0113412 -0.0214708 0.0123962 -0.8455451 7 Na 1.1695069 0.0369002 0.0000000 -0.0369002 1.1695069 0.0000000 0.0000000 -0.0000000 1.0453112 8 Na 1.1695069 -0.0369002 0.0000000 0.0369002 1.1695069 0.0000000 0.0000000 -0.0000000 1.0453112 9 Th 4.5399043 0.0000000 0.0000000 0.0000000 4.5399043 0.0000000 0.0000000 -0.0000000 5.8102437 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (yxy) 0.00000009 (yxy) 0.00000009 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 13 ] 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: 0.85, Number of G-points: 283, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 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 1.401 ( 0.000 0.000 0.000) 0.000 2.100 ( -0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 -0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 -0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 -0.000) 0.000 8.024 ( 0.000 0.000 -0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 -0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 11.037 ( 0.000 0.000 -0.000) 0.000 11.037 ( 0.000 0.000 -0.000) 0.000 13.659 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 16.810 9.705 -3.053) 19.649 0.425 ( 18.733 10.816 -3.306) 21.882 0.684 ( 29.171 16.842 3.410) 33.856 1.402 ( 0.175 0.101 2.008) 2.018 2.094 ( -0.473 -0.273 0.028) 0.547 3.958 ( -14.016 -8.092 1.859) 16.291 4.375 ( 4.012 2.316 13.061) 13.858 4.478 ( 1.881 1.086 -19.291) 19.413 4.934 ( -1.652 -0.954 2.972) 3.531 5.602 ( -4.747 -2.741 -0.469) 5.502 5.641 ( 0.941 0.543 0.946) 1.441 5.941 ( -6.072 -3.506 -0.778) 7.054 6.073 ( -9.462 -5.463 -0.279) 10.930 6.467 ( 2.735 1.579 -2.534) 4.050 6.602 ( 9.165 5.292 3.508) 11.149 7.915 ( -2.368 -1.367 0.348) 2.756 8.046 ( 1.576 0.910 0.060) 1.821 8.507 ( 0.966 0.558 -0.391) 1.182 8.595 ( 0.958 0.553 -0.724) 1.322 9.067 ( -0.985 -0.569 -4.488) 4.630 9.219 ( -3.508 -2.025 4.985) 6.423 9.614 ( -6.599 -3.810 2.682) 8.078 9.866 ( -7.943 -4.586 -2.195) 9.430 10.603 ( 14.386 8.306 -0.314) 16.614 11.130 ( 8.555 4.939 0.110) 9.879 13.646 ( -1.231 -0.711 -0.006) 1.421 14.128 ( -1.019 -0.588 0.039) 1.177 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 13.666 7.890 -2.195) 15.932 0.826 ( 17.000 9.815 -2.866) 19.838 1.228 ( 14.877 8.589 -0.438) 17.184 1.447 ( 7.755 4.477 5.739) 10.636 2.089 ( 0.438 0.253 0.104) 0.516 3.604 ( -17.301 -9.989 0.856) 19.995 4.409 ( -0.140 -0.081 13.763) 13.763 4.543 ( 3.222 1.860 -21.093) 21.419 4.896 ( -1.524 -0.880 5.040) 5.339 5.450 ( -8.031 -4.637 -0.828) 9.310 5.665 ( 0.770 0.445 0.575) 1.059 5.797 ( -6.072 -3.506 -3.395) 7.790 5.901 ( -5.513 -3.183 2.810) 6.959 6.484 ( -1.577 -0.911 -2.324) 2.953 6.814 ( 9.514 5.493 2.955) 11.376 7.850 ( -3.322 -1.918 0.939) 3.949 8.082 ( 1.470 0.848 -0.333) 1.729 8.534 ( 1.296 0.748 -0.318) 1.530 8.626 ( 1.768 1.021 -1.381) 2.464 9.005 ( -6.943 -4.009 -11.849) 14.306 9.095 ( -5.505 -3.178 13.057) 14.522 9.427 ( -5.828 -3.365 1.705) 6.942 9.841 ( 1.896 1.095 -1.447) 2.624 10.849 ( 8.298 4.791 -0.343) 9.588 11.399 ( 14.229 8.215 0.160) 16.431 13.602 ( -2.662 -1.537 -0.037) 3.075 14.100 ( -1.421 -0.820 0.080) 1.642 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 6.905 3.987 -0.474) 7.988 1.157 ( 11.393 6.577 -0.819) 13.180 1.329 ( 2.371 1.369 -5.849) 6.458 1.743 ( 11.604 6.700 8.165) 15.691 2.142 ( 4.801 2.772 -0.509) 5.567 3.213 ( -17.122 -9.885 -0.238) 19.772 4.391 ( -1.306 -0.754 7.956) 8.098 4.606 ( 2.371 1.369 -13.056) 13.340 4.871 ( -0.763 -0.440 4.262) 4.352 5.297 ( -4.838 -2.793 -0.550) 5.613 5.611 ( -5.138 -2.966 -0.609) 5.964 5.744 ( 1.061 0.612 -5.840) 5.967 5.819 ( -2.177 -1.257 6.198) 6.688 6.405 ( -5.058 -2.920 -1.922) 6.149 7.015 ( 8.311 4.798 1.966) 9.796 7.771 ( -3.733 -2.155 1.407) 4.534 8.110 ( 1.215 0.701 -0.842) 1.636 8.550 ( -0.616 -0.355 0.716) 1.009 8.672 ( 2.202 1.271 -1.846) 3.142 8.771 ( -10.359 -5.981 -4.012) 12.616 9.027 ( -2.137 -1.234 4.801) 5.398 9.367 ( -0.657 -0.379 0.899) 1.177 9.887 ( 1.854 1.071 -0.668) 2.243 11.003 ( 5.761 3.326 -0.269) 6.658 11.706 ( 12.410 7.165 0.163) 14.331 13.531 ( -3.507 -2.025 -0.068) 4.050 14.069 ( -1.241 -0.716 0.096) 1.436 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.971 -1.138 0.191) 2.284 1.301 ( 3.702 2.138 -1.085) 4.411 1.458 ( 6.146 3.548 -4.916) 8.633 1.923 ( 5.968 3.446 7.229) 9.987 2.267 ( 4.692 2.709 -1.102) 5.529 2.875 ( -12.217 -7.054 -0.776) 14.129 4.360 ( -1.279 -0.738 3.933) 4.201 4.650 ( 1.570 0.906 -6.074) 6.339 4.858 ( -0.415 -0.240 2.021) 2.077 5.238 ( -0.958 -0.553 -0.740) 1.331 5.522 ( -2.163 -1.249 0.539) 2.555 5.764 ( 0.307 0.178 -8.281) 8.289 5.801 ( 0.232 0.134 8.288) 8.293 6.283 ( -5.147 -2.971 -1.368) 6.098 7.174 ( 5.650 3.262 0.886) 6.584 7.689 ( -3.317 -1.915 1.208) 4.017 8.150 ( 2.674 1.544 -0.977) 3.239 8.444 ( -7.904 -4.563 0.859) 9.167 8.654 ( -0.885 -0.511 -1.555) 1.861 8.718 ( 1.750 1.010 -1.794) 2.701 8.985 ( -1.522 -0.879 2.597) 3.136 9.367 ( 0.342 0.198 0.351) 0.529 9.918 ( 0.927 0.535 -0.264) 1.102 11.105 ( 3.225 1.862 -0.151) 3.727 11.927 ( 7.087 4.092 0.113) 8.184 13.459 ( -2.615 -1.510 -0.056) 3.020 14.047 ( -0.750 -0.433 0.064) 0.868 ======================= Grid point 5 (6/146) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 0.000 0.000) 0.000 1.346 ( 0.000 0.000 -0.000) 0.000 1.527 ( 0.000 0.000 -0.000) 0.000 2.006 ( 0.000 0.000 -0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 -0.000) 0.000 4.344 ( 0.000 0.000 -0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 -0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 -0.000) 0.000 6.217 ( 0.000 0.000 -0.000) 0.000 7.243 ( 0.000 0.000 -0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 8.212 ( -0.000 -0.000 0.000) 0.000 8.314 ( 0.000 0.000 -0.000) 0.000 8.650 ( 0.000 0.000 -0.000) 0.000 8.740 ( 0.000 0.000 -0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 -0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 14.038 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 8.267 14.319 0.000) 16.535 0.735 ( 10.075 17.451 0.000) 20.150 1.129 ( 14.194 24.584 0.000) 28.387 1.406 ( 0.327 0.567 0.000) 0.654 2.089 ( 0.013 0.022 0.000) 0.025 3.686 ( -10.448 -18.097 0.000) 20.896 4.456 ( 2.042 3.537 0.000) 4.084 4.499 ( 1.076 1.863 0.000) 2.151 4.901 ( -1.206 -2.089 0.000) 2.412 5.506 ( -3.984 -6.900 0.000) 7.967 5.646 ( -0.195 -0.337 0.000) 0.389 5.822 ( -3.984 -6.900 0.000) 7.968 5.960 ( -3.356 -5.812 0.000) 6.712 6.504 ( 1.091 1.889 0.000) 2.182 6.735 ( 4.206 7.286 0.000) 8.413 7.867 ( -1.950 -3.378 0.000) 3.901 8.076 ( 1.088 1.884 0.000) 2.176 8.527 ( 0.822 1.424 0.000) 1.644 8.614 ( 0.754 1.306 0.000) 1.508 9.051 ( -0.788 -1.365 0.000) 1.576 9.106 ( -5.296 -9.173 0.000) 10.592 9.624 ( -5.060 -8.764 0.000) 10.120 9.640 ( -0.250 -0.434 0.000) 0.501 10.885 ( 8.413 14.572 0.000) 16.827 11.283 ( 6.847 11.859 0.000) 13.694 13.611 ( -1.665 -2.883 0.000) 3.329 14.108 ( -0.822 -1.423 0.000) 1.643 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 8.319 7.214 -0.719) 11.035 1.050 ( 10.102 11.185 -0.665) 15.087 1.390 ( -2.444 8.330 -5.169) 10.104 1.574 ( 14.864 6.974 6.920) 17.817 2.115 ( 2.171 2.966 -0.057) 3.676 3.306 ( -12.408 -19.220 0.018) 22.878 4.469 ( -3.828 4.894 11.399) 12.982 4.567 ( 3.887 0.728 -15.037) 15.549 4.865 ( -0.516 -2.073 2.968) 3.657 5.366 ( -5.579 -3.197 -0.437) 6.445 5.601 ( -1.364 -7.039 0.243) 7.174 5.737 ( -0.637 -1.184 -2.465) 2.808 5.870 ( -3.301 -0.796 2.204) 4.048 6.494 ( -4.652 1.485 -1.514) 5.112 6.888 ( 8.502 2.239 1.630) 8.941 7.791 ( -2.628 -3.965 0.667) 4.804 8.109 ( 0.681 1.761 -0.347) 1.920 8.551 ( 0.270 0.508 0.140) 0.592 8.645 ( 1.683 0.915 -0.905) 2.118 8.877 ( -9.453 -8.714 -3.662) 13.368 9.025 ( -0.468 -2.863 4.069) 4.998 9.453 ( -7.669 3.521 1.334) 8.543 9.723 ( 9.772 -8.330 -1.084) 12.886 11.087 ( -0.202 14.676 -0.167) 14.678 11.579 ( 12.949 11.660 0.113) 17.425 13.537 ( -2.331 -5.177 -0.031) 5.678 14.077 ( -1.105 -1.628 0.050) 1.968 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.634 -1.473 0.306) 2.221 1.258 ( 5.670 4.778 -0.609) 7.440 1.461 ( 0.351 9.913 -6.750) 11.998 1.811 ( 10.315 1.025 8.069) 13.136 2.214 ( 4.168 3.677 -0.687) 5.600 2.932 ( -9.960 -17.750 -0.544) 20.360 4.442 ( -4.819 5.116 6.083) 9.295 4.628 ( 2.458 0.982 -8.958) 9.341 4.845 ( 0.356 -2.062 2.599) 3.337 5.284 ( -3.572 1.536 -0.804) 3.970 5.512 ( -0.375 -5.728 1.149) 5.854 5.742 ( 1.572 -1.048 -5.580) 5.892 5.835 ( -2.174 2.632 5.055) 6.099 6.392 ( -8.165 1.054 -1.632) 8.393 7.047 ( 9.395 -1.278 1.270) 9.566 7.708 ( -2.532 -4.086 1.010) 4.912 8.137 ( 0.937 1.716 -0.756) 2.096 8.498 ( -4.921 -5.988 0.830) 7.796 8.671 ( -0.231 -0.521 -0.773) 0.961 8.717 ( -1.670 0.632 -2.842) 3.356 8.987 ( -0.807 -2.541 2.691) 3.788 9.406 ( -2.929 3.514 0.671) 4.624 9.792 ( 7.609 -7.787 -0.514) 10.899 11.193 ( -2.435 12.371 -0.144) 12.609 11.882 ( 8.336 12.244 0.116) 14.813 13.444 ( -1.326 -7.008 -0.050) 7.133 14.043 ( -0.637 -2.159 0.060) 2.252 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -0.446 -3.950 -0.039) 3.976 1.355 ( 1.182 3.351 -0.668) 3.616 1.535 ( 0.181 3.248 -2.360) 4.019 1.982 ( 6.258 3.657 4.439) 8.499 2.267 ( 1.630 -3.538 -1.194) 4.075 2.676 ( -1.722 -12.144 -0.489) 12.275 4.417 ( -4.313 5.859 1.960) 7.535 4.666 ( 0.931 0.769 -2.875) 3.118 4.834 ( 0.792 -2.042 0.854) 2.351 5.253 ( -2.093 1.623 -0.632) 2.723 5.495 ( 1.288 -0.989 1.243) 2.045 5.758 ( 2.436 -2.794 -4.254) 5.643 5.834 ( -3.184 5.630 3.856) 7.530 6.278 ( -5.680 1.932 -0.882) 6.064 7.158 ( 6.605 -4.639 0.413) 8.082 7.640 ( -0.950 -2.837 0.534) 3.039 8.188 ( 3.115 1.929 -0.729) 3.736 8.336 ( -5.071 -5.863 0.588) 7.774 8.665 ( -0.633 1.209 -0.310) 1.400 8.737 ( 0.622 1.051 -1.177) 1.696 8.956 ( 0.014 -2.003 1.246) 2.359 9.402 ( -1.705 3.085 0.186) 3.530 9.826 ( 5.544 -7.833 -0.149) 9.598 11.246 ( -4.054 9.831 -0.055) 10.634 12.066 ( -0.417 10.972 0.051) 10.980 13.375 ( 1.790 -7.250 -0.026) 7.468 14.019 ( 0.575 -2.417 0.026) 2.485 ======================= Grid point 23 (11/146) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.506 0.876 0.000) 1.011 1.228 ( 4.454 7.715 0.000) 8.909 1.584 ( 6.104 10.572 0.000) 12.207 1.651 ( 1.178 2.040 0.000) 2.355 2.200 ( 2.760 4.780 0.000) 5.519 2.920 ( -11.380 -19.710 0.000) 22.759 4.552 ( 1.219 2.112 0.000) 2.438 4.583 ( 1.237 2.143 0.000) 2.474 4.826 ( -1.016 -1.761 0.000) 2.033 5.346 ( 0.543 0.940 0.000) 1.085 5.462 ( -3.575 -6.192 0.000) 7.149 5.722 ( -0.516 -0.894 0.000) 1.032 5.873 ( 0.839 1.454 0.000) 1.678 6.498 ( -1.196 -2.071 0.000) 2.392 6.927 ( 1.487 2.575 0.000) 2.973 7.707 ( -2.632 -4.558 0.000) 5.264 8.140 ( 0.722 1.251 0.000) 1.445 8.508 ( -3.558 -6.163 0.000) 7.116 8.664 ( 0.615 1.065 0.000) 1.230 8.746 ( -1.736 -3.006 0.000) 3.471 8.977 ( -1.356 -2.348 0.000) 2.712 9.493 ( -0.153 -0.266 0.000) 0.307 9.635 ( -0.065 -0.113 0.000) 0.130 11.295 ( 3.862 6.689 0.000) 7.724 11.873 ( 10.257 17.766 0.000) 20.514 13.411 ( -4.345 -7.526 0.000) 8.690 14.036 ( -1.431 -2.478 0.000) 2.862 ======================= Grid point 24 (12/146) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -1.567 -5.472 0.017) 5.692 1.359 ( 3.316 5.520 -0.401) 6.452 1.604 ( -4.429 2.450 -3.329) 6.058 1.854 ( 12.150 5.909 4.434) 14.220 2.251 ( -0.909 -0.020 -0.567) 1.072 2.585 ( -5.854 -17.080 -0.344) 18.058 4.554 ( -3.955 5.847 3.805) 8.020 4.645 ( 2.986 0.738 -4.796) 5.698 4.799 ( 0.201 -2.530 0.910) 2.696 5.329 ( -4.630 1.521 -1.336) 5.053 5.436 ( 4.457 -0.767 2.081) 4.978 5.697 ( 0.251 -3.555 -1.720) 3.957 5.933 ( 0.728 7.884 1.240) 8.014 6.409 ( -6.983 -0.419 -0.876) 7.050 6.990 ( 5.959 -3.731 0.500) 7.048 7.626 ( -1.647 -3.987 0.303) 4.324 8.164 ( 1.299 0.972 -0.387) 1.668 8.354 ( -4.826 -7.623 0.321) 9.028 8.679 ( 0.111 0.691 0.047) 0.701 8.746 ( 0.511 2.298 -1.197) 2.641 8.933 ( -0.615 -2.972 0.969) 3.186 9.478 ( -2.656 3.522 0.302) 4.422 9.664 ( 4.817 -4.877 -0.266) 6.860 11.375 ( -0.831 5.952 -0.029) 6.010 12.198 ( 4.933 19.704 0.034) 20.312 13.264 ( -1.435 -11.521 -0.018) 11.610 13.988 ( -0.662 -3.182 0.015) 3.250 ======================= Grid point 25 (13/146) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 2.571 -4.453 -0.000) 5.142 1.423 ( -1.958 3.392 0.000) 3.917 1.568 ( -0.279 0.483 0.000) 0.558 2.071 ( -1.973 3.418 -0.000) 3.946 2.155 ( 2.455 -4.252 -0.000) 4.910 2.455 ( 5.985 -10.366 0.000) 11.969 4.548 ( -3.957 6.854 0.000) 7.914 4.677 ( -0.090 0.155 -0.000) 0.179 4.786 ( 1.584 -2.743 -0.000) 3.168 5.292 ( -1.303 2.256 -0.000) 2.605 5.485 ( 0.012 -0.021 0.000) 0.024 5.676 ( 2.816 -4.878 -0.000) 5.632 5.999 ( -5.708 9.886 0.000) 11.416 6.325 ( -1.183 2.048 0.000) 2.365 7.027 ( 4.390 -7.603 -0.000) 8.779 7.590 ( 1.226 -2.123 -0.000) 2.451 8.203 ( 0.564 -0.977 -0.000) 1.128 8.247 ( 1.339 -2.320 0.000) 2.679 8.683 ( -0.298 0.516 0.000) 0.596 8.768 ( -1.244 2.155 0.000) 2.489 8.910 ( 1.495 -2.590 -0.000) 2.991 9.474 ( -2.313 4.006 -0.000) 4.625 9.682 ( 3.700 -6.409 0.000) 7.400 11.395 ( -2.839 4.918 -0.000) 5.678 12.349 ( -9.828 17.023 0.000) 19.656 13.185 ( 6.900 -11.951 -0.000) 13.800 13.965 ( 1.503 -2.603 -0.000) 3.006 ======================= Grid point 35 (14/146) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -2.190 -3.793 0.000) 4.380 1.462 ( 2.792 4.836 0.000) 5.584 1.570 ( -2.241 -3.881 0.000) 4.481 2.036 ( 6.573 11.384 0.000) 13.145 2.226 ( -1.866 -3.233 0.000) 3.733 2.299 ( -6.461 -11.191 0.000) 12.922 4.650 ( 1.574 2.726 0.000) 3.148 4.657 ( 0.814 1.410 0.000) 1.628 4.749 ( -1.416 -2.453 0.000) 2.832 5.320 ( -0.545 -0.944 0.000) 1.091 5.492 ( 2.659 4.606 0.000) 5.318 5.613 ( -2.700 -4.677 0.000) 5.400 6.121 ( 5.882 10.187 0.000) 11.763 6.341 ( -3.744 -6.485 0.000) 7.488 6.936 ( -0.807 -1.398 0.000) 1.615 7.568 ( -1.011 -1.751 0.000) 2.022 8.181 ( 0.670 1.161 0.000) 1.340 8.235 ( -2.477 -4.290 0.000) 4.954 8.687 ( 0.099 0.171 0.000) 0.197 8.800 ( 1.648 2.855 0.000) 3.297 8.875 ( -1.666 -2.886 0.000) 3.332 9.534 ( 1.251 2.166 0.000) 2.501 9.599 ( -1.186 -2.055 0.000) 2.373 11.440 ( 0.807 1.398 0.000) 1.615 12.583 ( 10.423 18.054 0.000) 20.847 13.008 ( -8.138 -14.095 0.000) 16.275 13.937 ( -0.943 -1.633 0.000) 1.885 ======================= Grid point 109 (15/146) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 0.000 19.868) 19.868 0.469 ( 0.000 -0.000 23.491) 23.491 1.015 ( 0.000 -0.000 47.376) 47.376 2.109 ( 0.000 0.000 2.115) 2.115 2.467 ( 0.000 -0.000 16.873) 16.873 3.971 ( 0.000 0.000 -12.535) 12.535 4.334 ( 0.000 0.000 3.610) 3.610 4.461 ( 0.000 -0.000 8.314) 8.314 5.339 ( 0.000 0.000 -16.102) 16.102 5.795 ( 0.000 -0.000 -2.540) 2.540 5.883 ( 0.000 0.000 -0.429) 0.429 6.136 ( 0.000 0.000 3.662) 3.662 6.364 ( 0.000 -0.000 -3.029) 3.029 6.443 ( 0.000 0.000 0.342) 0.342 7.379 ( 0.000 -0.000 -0.065) 0.065 7.962 ( 0.000 -0.000 -3.061) 3.061 8.075 ( 0.000 -0.000 2.068) 2.068 8.113 ( 0.000 -0.000 -3.844) 3.844 8.534 ( 0.000 -0.000 -4.819) 4.819 8.536 ( 0.000 0.000 -4.062) 4.062 9.656 ( 0.000 0.000 2.379) 2.379 9.744 ( 0.000 0.000 5.736) 5.736 10.291 ( 0.000 0.000 1.890) 1.890 11.032 ( 0.000 0.000 -0.525) 0.525 11.033 ( 0.000 0.000 -0.420) 0.420 13.079 ( 0.000 0.000 -8.771) 8.771 13.685 ( 0.000 0.000 1.947) 1.947 ======================= Grid point 110 (16/146) ======================= q-point: ( 0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 9.950 5.745 14.380) 18.406 0.649 ( 12.792 7.385 16.628) 22.241 1.198 ( 14.285 8.248 37.376) 40.854 2.059 ( -5.929 -3.423 8.422) 10.854 2.285 ( -9.526 -5.500 27.464) 29.585 3.920 ( -7.325 -4.229 -9.291) 12.564 4.189 ( -4.141 -2.391 1.559) 5.029 4.584 ( 5.135 2.965 5.762) 8.268 5.292 ( -5.696 -3.289 -12.263) 13.916 5.692 ( -7.451 -4.302 0.693) 8.631 5.847 ( -4.353 -2.513 6.134) 7.930 5.909 ( -16.977 -9.802 8.658) 21.430 6.283 ( -20.732 -11.969 16.069) 28.832 6.414 ( 2.672 1.542 -2.155) 3.763 6.753 ( -3.800 -2.194 12.553) 13.297 7.892 ( -1.832 -1.057 -2.428) 3.220 8.041 ( 0.984 0.568 -0.673) 1.320 8.410 ( 3.498 2.019 -7.430) 8.457 8.538 ( 0.816 0.471 -4.835) 4.926 8.732 ( 10.312 5.954 -10.006) 15.553 9.523 ( -8.565 -4.945 7.582) 12.462 9.704 ( -2.405 -1.388 5.283) 5.968 10.165 ( -22.212 -12.824 18.886) 31.852 10.652 ( 5.086 2.936 4.671) 7.504 11.123 ( 8.298 4.791 -0.723) 9.609 13.451 ( 6.673 3.853 -20.910) 22.284 13.852 ( 12.226 7.059 -7.549) 16.009 ======================= Grid point 111 (17/146) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 12.163 7.023 7.314) 15.836 0.970 ( 15.198 8.775 11.946) 21.229 1.507 ( 9.034 5.216 21.983) 24.332 1.894 ( -3.520 -2.032 24.948) 25.277 2.192 ( -0.866 -0.500 14.651) 14.685 3.634 ( -16.006 -9.241 1.252) 18.525 4.196 ( 2.499 1.443 -9.827) 10.242 4.663 ( 2.245 1.296 8.590) 8.973 5.094 ( -9.115 -5.263 0.351) 10.531 5.497 ( -10.093 -5.827 10.728) 15.841 5.619 ( -4.546 -2.625 -4.005) 6.602 5.750 ( -6.107 -3.526 -0.081) 7.052 6.016 ( -5.272 -3.044 7.006) 9.281 6.439 ( -0.955 -0.552 -1.873) 2.174 6.863 ( 7.581 4.377 1.834) 8.943 7.846 ( -2.471 -1.427 -1.361) 3.162 8.064 ( 0.952 0.550 -1.324) 1.720 8.460 ( 1.924 1.111 -6.031) 6.427 8.567 ( 1.669 0.964 -4.496) 4.892 8.836 ( -0.191 -0.110 -5.076) 5.081 9.345 ( -9.157 -5.287 9.681) 14.336 9.532 ( -9.104 -5.256 8.540) 13.544 9.913 ( -1.230 -0.710 7.971) 8.096 10.835 ( 7.655 4.420 -1.050) 8.901 11.385 ( 13.920 8.037 -1.496) 16.143 13.476 ( -1.497 -0.864 -12.562) 12.681 14.020 ( 3.424 1.977 -5.117) 6.466 ======================= Grid point 112 (18/146) ======================= q-point: ( 0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 9.581 5.531 4.368) 11.894 1.297 ( 13.279 7.667 9.406) 17.988 1.491 ( -6.004 -3.466 19.260) 20.470 2.000 ( 8.254 4.765 16.288) 18.871 2.198 ( 1.162 0.671 8.769) 8.871 3.266 ( -16.210 -9.359 5.318) 19.459 4.249 ( 1.644 0.949 -10.813) 10.978 4.698 ( 1.309 0.755 10.537) 10.645 4.958 ( -3.200 -1.847 0.790) 3.778 5.303 ( -6.921 -3.996 1.879) 8.210 5.570 ( -1.038 -0.599 -5.627) 5.753 5.625 ( -4.363 -2.519 -0.303) 5.047 5.957 ( -0.973 -0.562 5.396) 5.512 6.378 ( -4.054 -2.341 -0.664) 4.728 7.031 ( 7.111 4.106 -0.340) 8.219 7.781 ( -3.325 -1.919 -0.380) 3.858 8.083 ( 0.886 0.512 -1.735) 2.014 8.498 ( 1.092 0.630 -5.043) 5.198 8.603 ( 1.121 0.647 -4.558) 4.738 8.757 ( -5.534 -3.195 1.575) 6.582 9.130 ( -7.899 -4.560 5.224) 10.511 9.436 ( -1.309 -0.756 5.675) 5.873 9.930 ( 1.425 0.823 4.495) 4.787 10.981 ( 5.544 3.201 -1.881) 6.672 11.687 ( 12.239 7.066 -2.024) 14.277 13.424 ( -2.896 -1.672 -10.366) 10.892 14.054 ( 0.305 0.176 -1.089) 1.144 ======================= Grid point 113 (19/146) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 4.799 2.771 8.490) 10.139 1.344 ( -3.963 -2.288 9.618) 10.651 1.569 ( 8.969 5.178 13.741) 17.207 2.118 ( 1.167 0.674 13.080) 13.149 2.245 ( 3.189 1.841 -0.134) 3.684 2.950 ( -11.019 -6.362 8.221) 15.149 4.256 ( -0.889 -0.513 -8.810) 8.869 4.742 ( 2.814 1.625 9.755) 10.282 4.920 ( -1.049 -0.606 2.631) 2.897 5.196 ( -2.605 -1.504 -3.532) 4.639 5.543 ( -1.501 -0.867 0.555) 1.820 5.578 ( -0.054 -0.031 -7.329) 7.329 5.947 ( -0.346 -0.200 4.953) 4.970 6.288 ( -3.181 -1.837 2.025) 4.195 7.168 ( 4.794 2.768 -1.451) 5.723 7.699 ( -3.896 -2.249 -0.249) 4.505 8.116 ( 2.341 1.351 -2.293) 3.544 8.453 ( -5.659 -3.267 -0.198) 6.537 8.603 ( 0.319 0.184 -3.282) 3.303 8.707 ( 1.309 0.756 0.709) 1.670 9.002 ( -4.289 -2.477 -0.437) 4.972 9.426 ( -0.001 -0.001 5.093) 5.093 9.957 ( 0.907 0.524 3.785) 3.927 11.080 ( 3.197 1.846 -2.241) 4.318 11.905 ( 6.947 4.011 -2.317) 8.350 13.362 ( -2.263 -1.307 -9.323) 9.682 14.051 ( -0.296 -0.171 0.586) 0.679 ======================= Grid point 114 (20/146) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.248 0.143 20.549) 20.551 1.341 ( 2.085 1.204 0.605) 2.482 1.706 ( 3.386 1.955 13.565) 14.118 2.046 ( -7.343 -4.240 6.038) 10.409 2.307 ( 1.377 0.795 -0.236) 1.608 2.829 ( 0.979 0.565 10.131) 10.194 4.225 ( -1.490 -0.860 -7.720) 7.910 4.812 ( 3.145 1.816 10.086) 10.720 4.890 ( -1.712 -0.988 2.759) 3.394 5.183 ( 1.073 0.619 -4.859) 5.015 5.510 ( -1.333 -0.770 0.296) 1.568 5.590 ( 0.746 0.431 -9.067) 9.107 5.935 ( -0.558 -0.322 5.035) 5.076 6.266 ( 1.480 0.854 4.877) 5.168 7.222 ( -0.568 -0.328 -1.944) 2.052 7.631 ( -1.380 -0.797 -1.377) 2.106 8.172 ( 1.252 0.723 -3.517) 3.802 8.351 ( -0.906 -0.523 3.191) 3.358 8.623 ( 1.124 0.649 -2.428) 2.753 8.753 ( 2.218 1.280 0.981) 2.742 8.923 ( -2.711 -1.565 -3.506) 4.700 9.423 ( -0.388 -0.224 4.601) 4.623 9.969 ( 0.189 0.109 3.723) 3.729 11.118 ( 0.155 0.089 -2.231) 2.238 11.983 ( -0.135 -0.078 -2.530) 2.535 13.336 ( 0.058 0.034 -8.943) 8.943 14.047 ( -0.048 -0.028 1.015) 1.016 ======================= Grid point 116 (21/146) ======================= q-point: (-0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.704 -1.561 9.882) 10.363 1.398 ( 2.966 1.713 15.378) 15.754 1.735 ( -1.139 -0.657 17.940) 17.988 1.827 ( -10.373 -5.989 -1.094) 12.028 2.291 ( -2.716 -1.568 3.281) 4.539 2.975 ( 10.902 6.294 8.619) 15.257 4.200 ( -0.717 -0.414 -7.973) 8.016 4.842 ( -2.045 -1.181 0.761) 2.481 4.885 ( 3.102 1.791 11.624) 12.164 5.220 ( 2.062 1.191 -3.005) 3.834 5.513 ( 2.056 1.187 -0.881) 2.532 5.607 ( 1.227 0.708 -8.109) 8.232 5.921 ( -0.894 -0.516 5.598) 5.693 6.343 ( 4.893 2.825 4.719) 7.361 7.136 ( -6.531 -3.771 -2.551) 7.961 7.650 ( 2.636 1.522 -2.638) 4.027 8.148 ( -1.975 -1.140 -1.487) 2.723 8.430 ( 5.420 3.129 -0.038) 6.259 8.653 ( 1.594 0.920 -1.529) 2.393 8.784 ( 0.799 0.461 4.465) 4.559 8.903 ( 1.489 0.860 -4.817) 5.115 9.408 ( -0.906 -0.523 3.957) 4.093 9.966 ( -0.436 -0.252 4.110) 4.140 11.087 ( -2.926 -1.689 -1.869) 3.861 11.900 ( -7.132 -4.118 -2.656) 8.653 13.364 ( 2.324 1.342 -9.219) 9.602 14.049 ( 0.225 0.130 0.539) 0.599 ======================= Grid point 117 (22/146) ======================= q-point: (-0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -8.294 -4.789 6.759) 11.722 1.355 ( -10.988 -6.344 15.072) 19.702 1.643 ( 1.223 0.706 15.126) 15.192 1.716 ( -4.583 -2.646 13.945) 14.916 2.210 ( -3.524 -2.035 8.343) 9.282 3.270 ( 14.843 8.570 4.981) 17.848 4.189 ( -0.413 -0.238 -8.351) 8.364 4.787 ( -2.885 -1.666 -1.382) 3.607 4.981 ( 5.978 3.451 14.101) 15.700 5.299 ( 5.517 3.185 -0.412) 6.384 5.557 ( 0.975 0.563 -6.197) 6.299 5.694 ( 7.180 4.145 -0.357) 8.298 5.900 ( -0.669 -0.386 5.218) 5.275 6.457 ( 4.727 2.729 3.354) 6.406 6.959 ( -8.888 -5.132 -3.141) 10.733 7.725 ( 3.757 2.169 -3.073) 5.316 8.109 ( -1.582 -0.913 -1.141) 2.154 8.504 ( 0.871 0.503 -2.786) 2.962 8.656 ( -1.819 -1.050 -3.166) 3.799 8.858 ( 4.467 2.579 0.742) 5.211 8.998 ( 8.480 4.896 4.920) 10.958 9.395 ( 0.207 0.119 3.432) 3.440 9.952 ( -0.656 -0.379 5.257) 5.312 10.993 ( -5.365 -3.097 -1.234) 6.317 11.679 ( -12.274 -7.087 -2.515) 14.394 13.426 ( 2.866 1.654 -10.260) 10.780 14.051 ( -0.309 -0.179 -1.148) 1.202 ======================= Grid point 118 (23/146) ======================= q-point: (-0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -11.949 -6.899 9.071) 16.512 1.009 ( -17.556 -10.136 9.391) 22.341 1.499 ( -13.276 -7.665 23.647) 28.181 1.807 ( 10.733 6.197 27.640) 30.292 2.174 ( 0.562 0.325 12.068) 12.086 3.608 ( 14.898 8.601 0.374) 17.207 4.178 ( -0.526 -0.304 -6.753) 6.781 4.712 ( -3.973 -2.294 -0.618) 4.629 5.168 ( 10.456 6.037 11.199) 16.468 5.442 ( 6.203 3.581 0.743) 7.201 5.609 ( 5.973 3.449 0.520) 6.917 5.868 ( 4.410 2.546 2.857) 5.839 5.941 ( 8.450 4.878 5.709) 11.305 6.533 ( 1.681 0.971 2.720) 3.342 6.755 ( -8.952 -5.169 -2.307) 10.591 7.808 ( 3.547 2.048 -3.167) 5.178 8.071 ( -1.808 -1.044 -1.494) 2.567 8.492 ( -1.473 -0.850 -3.347) 3.754 8.604 ( -2.359 -1.362 -3.674) 4.573 8.878 ( -2.766 -1.597 -7.587) 8.232 9.287 ( 14.538 8.394 13.798) 21.730 9.451 ( 6.078 3.509 3.850) 8.005 9.956 ( 2.084 1.203 8.851) 9.173 10.850 ( -7.587 -4.380 -0.278) 8.765 11.378 ( -13.866 -8.006 -1.955) 16.130 13.478 ( 1.432 0.827 -12.520) 12.628 14.018 ( -3.364 -1.942 -5.140) 6.442 ======================= Grid point 119 (24/146) ======================= q-point: (-0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -13.339 -7.701 12.237) 19.672 0.642 ( -13.311 -7.685 16.290) 22.397 1.184 ( -13.029 -7.523 38.927) 41.733 2.053 ( 7.134 4.119 9.337) 12.452 2.271 ( 10.504 6.064 27.074) 29.667 3.897 ( 9.132 5.272 -8.165) 13.336 4.193 ( 3.729 2.153 1.876) 4.697 4.599 ( -6.374 -3.680 2.826) 7.884 5.323 ( 2.029 1.171 -12.494) 12.712 5.657 ( 11.889 6.864 1.476) 13.807 5.820 ( 8.307 4.796 9.257) 13.330 5.959 ( 8.572 4.949 5.476) 11.312 6.277 ( 17.988 10.386 11.637) 23.809 6.507 ( -4.077 -2.354 0.585) 4.744 6.662 ( 10.181 5.878 14.891) 18.972 7.879 ( 2.794 1.613 -3.063) 4.448 8.035 ( -1.181 -0.682 -1.210) 1.823 8.440 ( -4.095 -2.365 -5.351) 7.141 8.558 ( -1.656 -0.956 -4.315) 4.720 8.721 ( -11.781 -6.802 -11.884) 18.063 9.533 ( 9.195 5.309 8.223) 13.430 9.651 ( 6.736 3.889 6.072) 9.868 10.177 ( 19.597 11.315 17.510) 28.613 10.665 ( -5.319 -3.071 5.312) 8.120 11.119 ( -8.100 -4.677 -0.987) 9.405 13.451 ( -6.705 -3.871 -20.914) 22.302 13.851 ( -12.157 -7.019 -7.527) 15.928 ======================= Grid point 121 (25/146) ======================= q-point: ( 0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 4.154 14.364 9.628) 17.784 0.891 ( 8.375 16.675 11.216) 21.771 1.427 ( 8.811 13.229 26.564) 30.956 1.901 ( -3.644 -11.058 25.390) 27.932 2.191 ( -0.347 -2.287 15.568) 15.738 3.695 ( -8.103 -16.677 -0.549) 18.549 4.195 ( 1.808 2.238 -6.979) 7.549 4.666 ( 0.502 4.383 3.543) 5.658 5.191 ( -8.565 -7.815 1.834) 11.738 5.516 ( -1.903 -9.931 6.719) 12.141 5.648 ( -5.224 -9.272 2.669) 10.972 5.832 ( -6.381 -2.820 2.180) 7.309 6.054 ( -3.752 -10.266 8.543) 13.873 6.479 ( -2.581 4.264 -2.056) 5.392 6.761 ( 7.506 2.854 2.514) 8.415 7.841 ( -0.620 -3.792 -2.505) 4.587 8.062 ( 0.914 1.783 -1.389) 2.438 8.470 ( -0.135 2.853 -4.668) 5.472 8.569 ( -0.314 2.382 -4.355) 4.974 8.841 ( 0.950 3.900 -7.801) 8.773 9.355 ( -4.853 -11.211 10.318) 15.991 9.670 ( 7.118 -7.290 4.688) 11.215 9.805 ( -15.122 -10.579 13.906) 23.108 10.885 ( 7.163 13.821 -0.232) 15.568 11.268 ( 6.940 11.193 -1.433) 13.247 13.478 ( -0.696 -1.128 -13.588) 13.652 13.994 ( 3.047 5.119 -6.652) 8.930 ======================= Grid point 122 (26/146) ======================= q-point: ( 0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 6.575 10.371 6.856) 14.064 1.202 ( 10.118 14.260 9.522) 19.909 1.549 ( -3.818 -1.350 17.494) 17.957 1.877 ( 8.295 0.311 21.378) 22.933 2.195 ( 1.023 1.441 10.565) 10.712 3.351 ( -11.468 -18.201 4.061) 21.893 4.263 ( 1.545 4.370 -10.507) 11.484 4.700 ( 0.005 2.370 7.093) 7.478 5.003 ( -5.447 -4.295 4.415) 8.223 5.367 ( -5.686 -5.867 2.482) 8.539 5.551 ( -0.156 -4.278 -4.663) 6.330 5.693 ( -6.119 -2.274 1.276) 6.651 5.967 ( -0.829 -2.034 5.073) 5.528 6.454 ( -4.670 1.811 -2.286) 5.506 6.915 ( 8.430 1.250 0.959) 8.576 7.784 ( -1.304 -4.469 -1.373) 4.854 8.091 ( 0.182 1.982 -1.459) 2.468 8.495 ( 0.317 1.613 -4.790) 5.065 8.597 ( 0.928 2.094 -3.958) 4.573 8.813 ( -4.623 -2.660 -1.684) 5.593 9.168 ( -4.771 -10.043 8.212) 13.822 9.533 ( -9.158 1.684 6.286) 11.235 9.762 ( 9.779 -9.125 4.488) 14.108 11.071 ( -0.651 14.758 -1.431) 14.841 11.558 ( 12.939 11.010 -2.156) 17.125 13.427 ( -1.852 -4.318 -10.731) 11.715 14.045 ( 0.681 0.348 -2.185) 2.315 ======================= Grid point 123 (27/146) ======================= q-point: ( 0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 5.127 5.271 7.637) 10.601 1.414 ( -6.245 -1.156 10.250) 12.058 1.485 ( 8.403 8.443 13.628) 18.101 2.023 ( 8.071 -2.091 12.390) 14.934 2.240 ( 0.985 3.011 5.643) 6.472 3.000 ( -9.247 -16.707 7.161) 20.394 4.308 ( -1.612 4.373 -9.773) 10.827 4.727 ( 1.120 2.205 8.701) 9.045 4.921 ( -1.435 -2.371 3.113) 4.168 5.248 ( -4.260 -0.958 -2.371) 4.968 5.522 ( 0.930 -4.079 -2.102) 4.682 5.612 ( -2.623 1.355 -2.377) 3.791 5.956 ( -0.288 0.490 4.714) 4.748 6.368 ( -6.387 0.926 -0.684) 6.490 7.058 ( 8.221 -1.084 -0.109) 8.293 7.712 ( -1.946 -4.699 -0.564) 5.117 8.112 ( 0.378 2.106 -1.643) 2.698 8.482 ( -2.406 -3.452 -2.550) 4.920 8.629 ( -0.558 2.393 -3.523) 4.295 8.700 ( -2.157 -2.056 1.659) 3.410 9.030 ( -3.144 -5.151 1.750) 6.284 9.463 ( -3.058 2.493 4.741) 6.168 9.828 ( 7.701 -7.933 3.707) 11.661 11.173 ( -2.725 12.675 -1.831) 13.093 11.855 ( 8.484 11.510 -2.709) 14.553 13.347 ( -1.105 -6.374 -9.387) 11.400 14.043 ( 0.036 -1.471 0.182) 1.483 ======================= Grid point 124 (28/146) ======================= q-point: ( 0.40 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.900 -1.002 20.292) 20.337 1.351 ( -0.940 3.259 0.619) 3.448 1.661 ( 4.785 3.491 12.255) 13.611 2.085 ( 0.557 -2.728 6.024) 6.636 2.267 ( 1.308 -0.535 2.654) 3.007 2.768 ( -0.688 -11.231 9.777) 14.906 4.298 ( -4.059 4.318 -8.297) 10.196 4.783 ( 2.687 2.164 8.826) 9.476 4.884 ( -0.492 -2.682 3.076) 4.111 5.207 ( -1.632 2.412 -4.310) 5.202 5.489 ( -0.233 -4.076 -1.887) 4.498 5.629 ( 0.202 4.695 -4.688) 6.638 5.946 ( -1.760 0.438 4.195) 4.571 6.296 ( -2.794 2.202 2.671) 4.448 7.153 ( 5.396 -4.072 -0.808) 6.808 7.638 ( -1.638 -3.501 -0.745) 3.936 8.155 ( 2.205 2.254 -2.438) 3.986 8.364 ( -3.829 -5.183 2.013) 6.751 8.633 ( -0.687 2.168 -2.607) 3.460 8.722 ( 2.700 1.017 -0.333) 2.904 8.945 ( -2.417 -3.233 -1.829) 4.432 9.450 ( -1.624 2.127 4.271) 5.040 9.864 ( 5.702 -7.755 3.559) 10.263 11.226 ( -4.226 10.259 -1.930) 11.262 12.035 ( -0.170 10.198 -3.045) 10.644 13.284 ( 1.792 -6.844 -8.771) 11.268 14.029 ( 0.647 -2.100 1.133) 2.472 ======================= Grid point 125 (29/146) ======================= q-point: (-0.50 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.743 -1.245 18.496) 18.553 1.392 ( 0.835 3.759 5.743) 6.915 1.725 ( 1.953 -0.345 11.495) 11.665 1.951 ( -10.551 -5.329 3.940) 12.459 2.289 ( 1.395 -1.620 2.230) 3.090 2.785 ( 11.226 -4.491 10.170) 15.800 4.272 ( -4.149 5.039 -7.859) 10.217 4.840 ( 1.457 -1.794 5.462) 5.931 4.856 ( 0.632 0.624 6.225) 6.288 5.229 ( 0.044 3.594 -3.864) 5.278 5.448 ( 1.088 -4.225 -2.565) 5.061 5.667 ( -1.744 5.020 -5.544) 7.680 5.919 ( -0.940 -0.510 4.809) 4.926 6.329 ( 2.055 4.980 4.007) 6.714 7.138 ( -0.524 -7.467 -1.258) 7.590 7.616 ( 1.793 -0.672 -1.836) 2.653 8.177 ( -1.843 -0.347 -2.114) 2.826 8.349 ( 5.664 0.380 2.022) 6.026 8.645 ( 0.132 1.083 -2.130) 2.393 8.771 ( 1.512 0.503 2.262) 2.767 8.895 ( -0.249 -1.004 -4.379) 4.499 9.442 ( -1.850 2.054 3.782) 4.684 9.870 ( 4.322 -8.473 3.765) 10.229 11.229 ( -6.511 8.827 -1.789) 11.114 12.033 ( -8.980 5.179 -3.204) 10.850 13.285 ( 5.124 -4.943 -8.715) 11.253 14.028 ( 1.414 -1.627 1.113) 2.425 ======================= Grid point 126 (30/146) ======================= q-point: (-0.40 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -4.938 -2.621 9.582) 11.093 1.433 ( -1.252 1.160 17.946) 18.027 1.695 ( -8.976 -6.827 0.862) 11.311 1.748 ( -1.145 2.123 16.070) 16.250 2.257 ( -3.262 -1.248 5.652) 6.644 3.016 ( 18.401 -0.999 7.388) 19.854 4.256 ( -3.801 5.068 -8.254) 10.405 4.802 ( -1.542 -2.675 0.147) 3.091 4.916 ( 4.077 1.247 11.794) 12.541 5.267 ( 1.501 3.068 -2.772) 4.399 5.471 ( 5.275 -2.819 -3.150) 6.760 5.686 ( 0.150 3.247 -2.883) 4.345 5.905 ( -0.523 0.184 4.892) 4.923 6.432 ( 3.345 5.301 2.312) 6.681 7.013 ( -4.865 -7.558 -1.704) 9.148 7.672 ( 4.200 0.850 -2.516) 4.969 8.136 ( -2.046 -0.223 -1.011) 2.292 8.469 ( 5.042 1.197 -1.511) 5.398 8.655 ( 0.182 -0.792 -2.407) 2.540 8.789 ( 3.072 -0.618 3.304) 4.554 8.939 ( 4.129 3.066 -0.790) 5.203 9.435 ( -1.745 3.566 3.300) 5.163 9.846 ( 3.632 -10.098 4.395) 11.596 11.180 ( -9.338 8.518 -1.462) 12.723 11.850 ( -14.370 -1.477 -3.073) 14.769 13.348 ( 6.101 -2.291 -9.291) 11.349 14.041 ( 1.198 -0.708 0.138) 1.398 ======================= Grid point 127 (31/146) ======================= q-point: (-0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -10.913 -3.817 8.178) 14.161 1.236 ( -17.153 -4.773 10.387) 20.614 1.611 ( -1.151 -3.984 12.457) 13.129 1.747 ( -0.832 5.908 25.739) 26.421 2.191 ( -2.531 -0.051 9.690) 10.016 3.349 ( 20.536 0.957 3.729) 20.894 4.235 ( -3.799 3.404 -8.683) 10.070 4.742 ( -2.537 -2.692 0.531) 3.737 5.028 ( 8.364 0.719 11.814) 14.492 5.363 ( 6.478 2.500 0.234) 6.948 5.533 ( 4.387 -0.924 -4.777) 6.551 5.754 ( 6.064 -0.807 2.411) 6.575 5.923 ( 1.593 3.441 4.149) 5.621 6.511 ( 1.504 0.854 0.111) 1.733 6.859 ( -6.775 -2.685 -0.899) 7.343 7.758 ( 4.460 1.434 -2.636) 5.376 8.101 ( -2.130 -0.235 -1.329) 2.522 8.506 ( -0.528 -0.238 -3.343) 3.393 8.621 ( -1.945 -2.036 -3.478) 4.475 8.859 ( 3.639 -1.807 -3.032) 5.070 9.109 ( 11.697 5.007 9.305) 15.763 9.481 ( 1.265 9.266 3.891) 10.129 9.800 ( 4.211 -12.503 5.889) 14.448 11.079 ( -12.234 7.377 -1.015) 14.322 11.553 ( -16.081 -5.335 -2.500) 17.126 13.428 ( 4.652 -0.665 -10.682) 11.670 14.044 ( -0.655 -0.278 -2.213) 2.325 ======================= Grid point 132 (32/146) ======================= q-point: ( 0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 2.655 6.216 10.227) 12.259 1.444 ( 3.799 5.204 17.818) 18.947 1.543 ( -5.052 6.692 1.827) 8.582 1.858 ( 8.011 -2.307 15.576) 17.666 2.247 ( 1.654 3.092 6.794) 7.646 2.991 ( -10.946 -17.946 6.899) 22.124 4.335 ( 3.593 2.806 -9.116) 10.193 4.751 ( -1.097 2.648 3.608) 4.608 4.926 ( -2.237 -3.518 7.945) 8.972 5.296 ( -1.948 -1.427 -3.903) 4.590 5.460 ( -0.230 -4.925 -1.305) 5.101 5.676 ( -3.219 0.591 -0.173) 3.278 5.943 ( 2.321 -0.363 3.945) 4.592 6.474 ( -3.597 -0.729 -2.313) 4.338 6.939 ( 3.584 1.967 1.219) 4.266 7.690 ( -1.462 -4.903 -1.613) 5.364 8.129 ( 0.220 1.829 -1.101) 2.146 8.483 ( -1.879 -3.786 -2.386) 4.853 8.641 ( 0.763 1.957 -2.621) 3.358 8.749 ( -5.014 -2.351 0.782) 5.592 9.003 ( -0.711 -6.789 2.695) 7.338 9.523 ( 1.251 -2.220 3.246) 4.127 9.687 ( -1.683 0.736 4.413) 4.780 11.283 ( 3.692 6.827 -1.305) 7.871 11.837 ( 10.091 17.066 -3.475) 20.129 13.316 ( -4.007 -6.816 -9.177) 12.113 14.033 ( -0.783 -1.471 -0.019) 1.666 ======================= Grid point 133 (33/146) ======================= q-point: ( 0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.653 -0.446 19.390) 19.406 1.427 ( -3.355 3.169 5.976) 7.550 1.628 ( 2.573 3.744 6.500) 7.930 1.976 ( 7.781 -0.735 6.273) 10.022 2.279 ( -0.751 0.845 5.698) 5.809 2.681 ( -5.662 -15.090 9.968) 18.951 4.392 ( -0.775 3.951 -8.737) 9.620 4.766 ( 0.782 0.901 4.672) 4.821 4.877 ( -1.003 -1.366 6.274) 6.499 5.265 ( -2.250 2.209 -5.903) 6.692 5.435 ( 1.789 -4.475 -0.238) 4.826 5.662 ( -0.416 2.887 -0.829) 3.032 5.989 ( 0.811 3.638 2.755) 4.635 6.384 ( -5.562 -0.270 -1.539) 5.777 7.013 ( 5.281 -2.779 1.879) 6.257 7.621 ( -1.247 -4.313 -0.833) 4.567 8.150 ( 0.651 1.625 -1.073) 2.054 8.372 ( -3.832 -6.822 1.052) 7.894 8.669 ( -0.246 0.432 -1.023) 1.138 8.703 ( 0.082 2.924 -2.414) 3.793 8.936 ( -1.029 -4.608 -0.653) 4.766 9.507 ( -1.957 1.749 2.860) 3.882 9.708 ( 4.220 -3.906 3.945) 6.973 11.363 ( -0.979 6.271 -1.320) 6.483 12.154 ( 5.072 18.777 -4.308) 19.921 13.179 ( -1.400 -10.918 -8.260) 13.761 14.000 ( -0.379 -2.656 1.279) 2.972 ======================= Grid point 134 (34/146) ======================= q-point: ( 0.40 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 1.035 -1.483 25.344) 25.409 1.436 ( -1.039 4.854 1.147) 5.094 1.668 ( 2.616 -3.066 7.478) 8.495 2.040 ( -2.617 -1.705 -1.009) 3.282 2.253 ( -0.140 0.601 8.278) 8.301 2.565 ( 6.269 -9.118 11.797) 16.175 4.394 ( -3.585 4.846 -8.203) 10.180 4.785 ( 2.041 -2.127 2.908) 4.140 4.864 ( -0.384 0.918 7.360) 7.427 5.270 ( -0.505 3.697 -5.118) 6.334 5.406 ( -0.317 -4.063 -1.917) 4.504 5.698 ( 1.368 1.017 0.018) 1.705 6.005 ( -5.434 6.140 0.211) 8.202 6.339 ( 1.055 1.186 1.214) 1.999 7.042 ( 2.853 -6.019 1.730) 6.882 7.580 ( 0.676 -2.162 -0.916) 2.444 8.184 ( 1.020 0.274 -1.697) 1.999 8.280 ( 0.639 -2.870 2.711) 3.999 8.663 ( -0.742 0.846 -2.055) 2.343 8.752 ( 1.570 1.780 -0.861) 2.525 8.883 ( -0.407 -2.868 -2.665) 3.936 9.497 ( -1.771 2.442 2.552) 3.951 9.728 ( 3.471 -5.518 3.953) 7.624 11.384 ( -2.973 5.238 -1.266) 6.155 12.301 ( -9.379 16.112 -4.687) 19.223 13.103 ( 6.650 -11.442 -7.946) 15.437 13.982 ( 1.326 -2.333 1.740) 3.199 ======================= Grid point 136 (35/146) ======================= q-point: (-0.50 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.180 -0.961 19.113) 19.138 1.458 ( -0.727 1.977 10.084) 10.301 1.677 ( 1.400 -4.458 1.486) 4.904 1.887 ( -9.784 0.654 8.730) 13.130 2.279 ( 0.031 0.534 4.293) 4.326 2.695 ( 15.906 -3.729 10.368) 19.350 4.374 ( -4.023 4.136 -8.160) 9.994 4.787 ( 0.450 -2.350 1.664) 2.915 4.877 ( 1.351 0.492 9.039) 9.153 5.296 ( -1.058 1.774 -7.567) 7.843 5.383 ( 2.519 -0.882 0.974) 2.841 5.701 ( -0.602 -1.489 -0.603) 1.716 5.958 ( -4.405 3.656 2.228) 6.143 6.415 ( 4.081 2.395 -0.332) 4.743 6.997 ( -1.200 -4.908 1.461) 5.260 7.609 ( 3.666 0.059 -1.450) 3.942 8.162 ( -1.533 -0.911 -0.728) 1.926 8.362 ( 7.779 0.775 0.966) 7.877 8.659 ( -0.676 0.579 -2.054) 2.239 8.754 ( -0.488 -2.425 0.172) 2.479 8.901 ( 3.324 1.633 -1.966) 4.193 9.496 ( -1.266 3.101 2.422) 4.133 9.716 ( 1.827 -5.953 4.231) 7.528 11.364 ( -4.832 3.856 -1.236) 6.304 12.152 ( -18.897 5.140 -4.424) 20.077 13.180 ( 10.183 -4.311 -8.214) 13.775 13.999 ( 2.457 -0.955 1.266) 2.924 ======================= Grid point 144 (36/146) ======================= q-point: ( 0.30 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.660 -1.023 28.045) 28.072 1.499 ( 0.904 3.272 3.035) 4.554 1.605 ( -1.772 -3.665 2.565) 4.812 2.028 ( 3.063 3.953 -2.233) 5.477 2.288 ( 0.898 0.825 8.147) 8.238 2.449 ( -5.337 -8.182 14.707) 17.655 4.452 ( 1.369 1.942 -8.250) 8.585 4.754 ( -0.809 -1.078 1.526) 2.036 4.876 ( 0.128 0.428 8.048) 8.060 5.311 ( -0.532 1.627 -10.006) 10.151 5.367 ( 0.798 -1.777 2.565) 3.221 5.690 ( -0.512 0.123 2.566) 2.619 6.105 ( 4.944 7.114 -1.816) 8.852 6.330 ( -3.711 -4.923 -0.964) 6.240 6.977 ( -0.192 -0.737 4.032) 4.103 7.560 ( -0.808 -1.670 -0.683) 1.977 8.174 ( 0.154 0.928 -0.672) 1.156 8.261 ( -1.813 -3.724 2.283) 4.730 8.672 ( 0.226 0.127 -1.531) 1.553 8.762 ( 0.244 2.253 -2.436) 3.327 8.860 ( -0.737 -2.709 -2.067) 3.487 9.528 ( 0.473 0.556 1.067) 1.293 9.668 ( -0.543 -0.710 4.877) 4.958 11.432 ( 0.843 1.482 -1.007) 1.980 12.524 ( 10.088 17.415 -5.784) 20.941 12.933 ( -7.867 -13.583 -7.235) 17.284 13.956 ( -0.804 -1.401 2.023) 2.589 ======================= Grid point 218 (37/146) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 -0.000 15.975) 15.975 0.947 ( 0.000 -0.000 23.645) 23.645 1.774 ( 0.000 0.000 21.923) 21.923 2.301 ( 0.000 -0.000 22.021) 22.021 2.932 ( 0.000 0.000 28.366) 28.366 3.715 ( 0.000 0.000 -12.303) 12.303 4.330 ( 0.000 0.000 -4.365) 4.365 4.691 ( 0.000 0.000 13.939) 13.939 4.991 ( 0.000 0.000 -18.009) 18.009 5.576 ( 0.000 0.000 -14.075) 14.075 5.945 ( 0.000 0.000 1.290) 1.290 6.144 ( 0.000 -0.000 -3.335) 3.335 6.325 ( 0.000 0.000 -0.179) 0.179 6.437 ( 0.000 0.000 -0.694) 0.694 7.376 ( 0.000 0.000 -0.310) 0.310 7.908 ( 0.000 0.000 -2.167) 2.167 8.002 ( 0.000 0.000 -7.015) 7.015 8.103 ( 0.000 0.000 0.590) 0.590 8.420 ( 0.000 0.000 -5.607) 5.607 8.445 ( 0.000 0.000 -4.444) 4.444 9.737 ( 0.000 0.000 5.215) 5.215 9.867 ( -0.000 -0.000 6.065) 6.065 10.349 ( 0.000 0.000 3.927) 3.927 11.015 ( 0.000 0.000 -1.118) 1.118 11.020 ( -0.000 -0.000 -0.877) 0.877 12.849 ( 0.000 -0.000 -13.546) 13.546 13.714 ( 0.000 0.000 0.603) 0.603 ======================= Grid point 219 (38/146) ======================= q-point: ( 0.10 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 5.009 2.892 14.179) 15.313 1.021 ( 6.350 3.666 20.082) 21.378 1.816 ( 2.984 1.723 17.028) 17.373 2.306 ( 0.480 0.277 23.207) 23.214 2.867 ( -5.313 -3.067 30.703) 31.309 3.705 ( -1.080 -0.624 -10.344) 10.419 4.240 ( -7.032 -4.060 0.081) 8.121 4.715 ( 2.594 1.498 7.305) 7.895 4.983 ( -1.731 -0.999 -15.797) 15.923 5.544 ( -2.250 -1.299 -11.541) 11.830 5.870 ( -6.965 -4.021 -0.365) 8.051 6.002 ( -9.371 -5.410 -0.566) 10.835 6.363 ( 1.120 0.647 -0.792) 1.517 6.458 ( -2.740 -1.582 1.801) 3.640 7.003 ( -18.510 -10.687 9.441) 23.366 7.821 ( -1.717 -0.991 -4.722) 5.121 8.013 ( 0.977 0.564 -2.066) 2.355 8.276 ( 4.127 2.383 -5.237) 7.081 8.419 ( 0.779 0.450 -6.250) 6.315 8.604 ( 10.838 6.257 -3.979) 13.132 9.655 ( -6.471 -3.736 6.510) 9.911 9.822 ( -2.113 -1.220 6.006) 6.483 10.402 ( -6.287 -3.630 7.192) 10.219 10.739 ( -8.832 -5.099 2.790) 10.573 11.101 ( 7.483 4.320 -1.488) 8.768 13.025 ( 9.216 5.321 -19.597) 22.300 13.800 ( 6.850 3.955 -0.862) 7.956 ======================= Grid point 220 (39/146) ======================= q-point: ( 0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.557 4.363 10.144) 13.380 1.212 ( 10.329 5.963 12.838) 17.523 1.860 ( 0.150 0.087 10.210) 10.212 2.315 ( 0.018 0.010 22.139) 22.139 2.732 ( -5.928 -3.423 32.714) 33.422 3.631 ( -6.573 -3.795 -1.084) 7.666 4.102 ( -3.468 -2.003 -1.140) 4.164 4.793 ( 4.047 2.337 3.331) 5.739 4.909 ( -4.219 -2.436 -11.883) 12.843 5.489 ( -2.918 -1.685 -8.304) 8.962 5.620 ( -13.523 -7.808 -0.128) 15.616 5.828 ( -6.589 -3.804 3.129) 8.227 6.176 ( -10.921 -6.305 7.797) 14.826 6.423 ( -0.629 -0.363 0.625) 0.959 6.892 ( 3.609 2.084 1.354) 4.382 7.794 ( -1.289 -0.744 -3.924) 4.197 8.033 ( 0.742 0.428 -1.570) 1.789 8.336 ( 2.329 1.345 -5.571) 6.186 8.451 ( 1.825 1.054 -6.493) 6.826 8.778 ( 4.139 2.390 -1.077) 4.900 9.507 ( -7.607 -4.392 7.345) 11.450 9.708 ( -9.261 -5.347 7.928) 13.312 10.104 ( -8.522 -4.920 9.453) 13.645 10.804 ( 6.162 3.558 -2.103) 7.420 11.340 ( 12.913 7.455 -2.952) 15.199 13.141 ( 1.716 0.991 -18.996) 19.099 13.954 ( 5.778 3.336 -1.750) 6.898 ======================= Grid point 221 (40/146) ======================= q-point: ( 0.30 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 6.985 4.033 6.145) 10.140 1.452 ( 10.178 5.877 6.454) 13.409 1.816 ( -3.287 -1.898 11.301) 11.921 2.308 ( -0.301 -0.174 13.975) 13.979 2.618 ( -4.529 -2.615 29.656) 30.114 3.420 ( -11.035 -6.371 9.820) 16.087 4.093 ( 1.395 0.806 -4.726) 4.993 4.837 ( -1.366 -0.789 -8.822) 8.961 4.884 ( 3.793 2.190 5.188) 6.789 5.311 ( -10.967 -6.332 -2.608) 12.930 5.453 ( -2.591 -1.496 -4.751) 5.614 5.699 ( -4.739 -2.736 4.428) 7.040 6.031 ( -3.221 -1.859 2.236) 4.339 6.389 ( -1.791 -1.034 2.085) 2.937 7.008 ( 5.766 3.329 -1.547) 6.836 7.753 ( -2.490 -1.437 -2.534) 3.832 8.047 ( 0.560 0.324 -1.604) 1.730 8.389 ( 2.261 1.305 -5.249) 5.862 8.491 ( 1.661 0.959 -6.224) 6.512 8.805 ( -1.121 -0.647 3.050) 3.313 9.245 ( -13.747 -7.937 6.356) 17.099 9.569 ( -2.342 -1.352 6.882) 7.394 10.041 ( 0.010 0.006 5.867) 5.867 10.928 ( 4.866 2.810 -3.323) 6.528 11.624 ( 11.679 6.743 -4.159) 14.112 13.138 ( -1.373 -0.793 -17.071) 17.144 14.044 ( 2.506 1.447 0.184) 2.899 ======================= Grid point 222 (41/146) ======================= q-point: ( 0.40 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 3.710 2.142 2.003) 4.729 1.598 ( 2.569 1.483 9.617) 10.064 1.801 ( 3.130 1.807 8.517) 9.252 2.293 ( -2.042 -1.179 4.989) 5.518 2.530 ( -2.605 -1.504 26.705) 26.874 3.198 ( -7.785 -4.495 15.779) 18.160 4.117 ( 0.346 0.200 -4.415) 4.433 4.859 ( 2.993 1.728 -4.888) 5.986 4.958 ( 2.728 1.575 6.154) 6.913 5.109 ( -6.950 -4.013 -4.343) 9.125 5.416 ( -0.616 -0.356 -6.212) 6.252 5.610 ( -3.732 -2.155 2.726) 5.099 5.989 ( -1.019 -0.588 -0.889) 1.475 6.369 ( 0.338 0.195 5.828) 5.841 7.126 ( 4.409 2.545 -2.215) 5.551 7.680 ( -4.022 -2.322 -1.640) 4.925 8.064 ( 1.118 0.645 -2.532) 2.842 8.419 ( 0.025 0.015 -3.069) 3.069 8.527 ( 1.795 1.037 -4.461) 4.919 8.760 ( -1.826 -1.054 5.074) 5.495 8.997 ( -7.989 -4.612 0.486) 9.237 9.546 ( -0.427 -0.247 6.222) 6.242 10.051 ( 0.579 0.334 5.117) 5.161 11.016 ( 2.947 1.701 -3.971) 5.229 11.833 ( 6.630 3.828 -4.824) 9.048 13.101 ( -1.568 -0.905 -16.003) 16.105 14.077 ( 0.735 0.424 1.978) 2.152 ======================= Grid point 223 (42/146) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.998 -0.576 -2.206) 2.488 1.688 ( 6.271 3.620 15.478) 17.088 1.859 ( 0.528 0.305 5.832) 5.864 2.187 ( -6.882 -3.973 3.680) 8.757 2.525 ( 1.567 0.905 23.639) 23.708 3.110 ( 0.294 0.170 17.117) 17.121 4.110 ( -0.737 -0.426 -3.147) 3.260 4.903 ( -1.994 -1.151 -1.407) 2.699 4.986 ( 1.200 0.693 -0.937) 1.673 5.052 ( 2.561 1.478 -1.177) 3.183 5.431 ( 1.975 1.141 -5.962) 6.383 5.524 ( -3.457 -1.996 0.197) 3.996 5.981 ( 0.121 0.070 -0.753) 0.766 6.403 ( 2.418 1.396 7.950) 8.425 7.180 ( -0.383 -0.221 -1.666) 1.724 7.593 ( -2.804 -1.619 -2.259) 3.948 8.090 ( 0.763 0.440 -4.222) 4.313 8.410 ( 0.263 0.152 1.704) 1.731 8.573 ( 2.183 1.261 -2.825) 3.786 8.761 ( 2.070 1.195 1.178) 2.665 8.874 ( -3.421 -1.975 -0.784) 4.027 9.534 ( -0.874 -0.505 5.795) 5.883 10.061 ( 0.281 0.163 5.015) 5.025 11.054 ( 0.355 0.205 -4.033) 4.054 11.905 ( -0.363 -0.210 -5.216) 5.233 13.083 ( 0.130 0.075 -15.613) 15.613 14.084 ( -0.048 -0.028 2.635) 2.635 ======================= Grid point 225 (43/146) ======================= q-point: (-0.40 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.044 -1.180 -2.329) 3.316 1.742 ( -5.569 -3.215 -0.559) 6.455 1.875 ( 1.532 0.884 19.515) 19.595 2.072 ( 0.640 0.369 12.978) 12.999 2.565 ( 1.471 0.849 23.439) 23.501 3.201 ( 7.150 4.128 13.553) 15.870 4.094 ( -0.538 -0.311 -2.198) 2.284 4.812 ( -4.681 -2.703 -3.898) 6.664 5.025 ( 1.196 0.691 -3.818) 4.060 5.144 ( 5.272 3.044 0.279) 6.095 5.460 ( 0.494 0.285 -2.128) 2.203 5.539 ( 5.731 3.309 -0.643) 6.649 5.979 ( -0.521 -0.301 -0.011) 0.602 6.467 ( 3.222 1.860 6.938) 7.872 7.092 ( -6.940 -4.007 -1.133) 8.093 7.584 ( 1.801 1.040 -3.781) 4.315 8.088 ( -0.822 -0.475 -4.094) 4.203 8.440 ( 1.647 0.951 0.585) 1.990 8.604 ( -0.232 -0.134 -3.734) 3.744 8.826 ( 1.608 0.928 -0.491) 1.921 8.884 ( 7.215 4.165 4.305) 9.377 9.507 ( -1.367 -0.789 5.385) 5.611 10.065 ( 0.122 0.070 5.293) 5.295 11.031 ( -2.337 -1.349 -3.525) 4.440 11.819 ( -7.119 -4.110 -5.361) 9.814 13.105 ( 1.686 0.973 -15.847) 15.967 14.075 ( -0.801 -0.462 2.017) 2.218 ======================= Grid point 226 (44/146) ======================= q-point: (-0.30 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -5.302 -3.061 1.286) 6.256 1.511 ( -13.053 -7.536 4.552) 15.744 1.874 ( 0.185 0.107 8.979) 8.981 2.213 ( 7.709 4.451 26.757) 28.199 2.589 ( 1.406 0.812 27.321) 27.369 3.392 ( 9.263 5.348 7.055) 12.813 4.095 ( 0.890 0.514 -0.816) 1.313 4.713 ( -3.922 -2.265 -6.383) 7.826 5.052 ( 1.518 0.876 -6.675) 6.901 5.273 ( 5.824 3.362 -2.468) 7.164 5.525 ( 5.845 3.375 2.563) 7.219 5.725 ( 10.479 6.050 2.656) 12.389 5.959 ( -0.651 -0.376 0.654) 0.996 6.539 ( 3.011 1.738 4.313) 5.540 6.912 ( -8.416 -4.859 -0.725) 9.745 7.647 ( 3.385 1.954 -4.600) 6.037 8.060 ( -1.617 -0.933 -3.621) 4.074 8.456 ( -0.418 -0.241 -1.946) 2.005 8.564 ( -2.661 -1.536 -5.352) 6.171 8.848 ( -0.241 -0.139 0.341) 0.440 9.157 ( 16.020 9.249 8.438) 20.332 9.489 ( 0.373 0.216 5.487) 5.504 10.073 ( 0.980 0.566 6.260) 6.361 10.954 ( -4.508 -2.603 -2.587) 5.813 11.604 ( -11.760 -6.789 -4.913) 14.440 13.143 ( 1.294 0.747 -16.921) 16.987 14.041 ( -2.496 -1.441 0.244) 2.892 ======================= Grid point 227 (45/146) ======================= q-point: (-0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -8.569 -4.947 6.065) 11.605 1.226 ( -11.478 -6.627 13.356) 18.816 1.873 ( -1.068 -0.617 9.218) 9.301 2.311 ( 0.838 0.484 27.045) 27.063 2.686 ( 7.548 4.358 32.996) 34.128 3.583 ( 7.184 4.148 -2.440) 8.646 4.147 ( 3.903 2.253 2.448) 5.129 4.654 ( -1.016 -0.587 -5.853) 5.970 5.074 ( -0.392 -0.226 -10.572) 10.582 5.397 ( 5.694 3.288 -5.299) 8.445 5.718 ( 10.506 6.066 2.940) 12.483 5.894 ( 2.185 1.261 -0.230) 2.533 6.089 ( 14.980 8.649 6.663) 18.537 6.576 ( -1.034 -0.597 0.373) 1.250 6.765 ( -2.262 -1.306 4.580) 5.273 7.724 ( 3.306 1.908 -5.227) 6.472 8.020 ( -1.792 -1.035 -3.469) 4.039 8.422 ( -2.478 -1.430 -3.582) 4.584 8.505 ( -2.505 -1.446 -5.087) 5.852 8.779 ( -6.464 -3.732 -2.643) 7.918 9.509 ( 9.568 5.524 8.068) 13.680 9.574 ( 11.143 6.433 7.892) 15.094 10.148 ( 7.509 4.335 9.218) 12.655 10.834 ( -6.127 -3.538 -1.336) 7.200 11.321 ( -12.698 -7.331 -3.601) 15.098 13.143 ( -1.840 -1.062 -18.922) 19.041 13.952 ( -5.709 -3.296 -1.699) 6.808 ======================= Grid point 228 (46/146) ======================= q-point: (-0.10 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -6.312 -3.644 12.903) 14.819 1.023 ( -6.566 -3.791 20.401) 21.764 1.818 ( -3.217 -1.857 17.105) 17.504 2.306 ( -0.441 -0.255 23.755) 23.760 2.858 ( 6.359 3.671 30.985) 31.843 3.692 ( 2.573 1.485 -10.326) 10.744 4.258 ( 5.272 3.044 0.945) 6.160 4.669 ( 1.816 1.048 3.540) 4.114 5.028 ( -2.958 -1.708 -13.930) 14.342 5.523 ( 4.717 2.724 -10.791) 12.088 5.894 ( 3.829 2.211 0.670) 4.472 6.005 ( 9.081 5.243 -1.461) 10.587 6.344 ( 2.213 1.278 0.177) 2.562 6.496 ( -3.705 -2.139 -1.271) 4.462 6.979 ( 22.471 12.974 11.561) 28.406 7.796 ( 3.600 2.078 -5.159) 6.626 7.991 ( -0.540 -0.312 -3.076) 3.139 8.339 ( -6.414 -3.703 -4.373) 8.601 8.449 ( -2.498 -1.442 -5.371) 6.096 8.568 ( -10.655 -6.152 -4.847) 13.224 9.662 ( 6.265 3.617 6.284) 9.582 9.788 ( 5.545 3.202 6.591) 9.189 10.402 ( 5.868 3.388 7.109) 9.821 10.761 ( 7.354 4.246 3.048) 9.022 11.090 ( -6.981 -4.031 -1.784) 8.256 13.026 ( -9.260 -5.346 -19.577) 22.307 13.800 ( -6.814 -3.934 -0.851) 7.914 ======================= Grid point 230 (47/146) ======================= q-point: ( 0.10 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 3.314 9.108 9.447) 13.535 1.155 ( 5.241 9.830 15.246) 18.883 1.858 ( 0.517 1.650 11.152) 11.285 2.315 ( 0.287 0.416 24.721) 24.726 2.751 ( -2.847 -8.072 32.925) 34.019 3.634 ( -2.183 -7.408 -4.440) 8.908 4.161 ( -3.816 -2.779 1.215) 4.875 4.695 ( 4.495 -1.961 -1.621) 5.165 5.013 ( -4.938 2.480 -10.880) 12.203 5.467 ( 0.299 -5.936 -7.470) 9.547 5.735 ( -10.102 -10.551 0.507) 14.617 5.887 ( -3.888 -3.526 0.917) 5.328 6.263 ( -4.123 -15.554 8.804) 18.342 6.438 ( -5.717 4.091 -1.792) 7.255 6.839 ( 3.567 -2.460 5.303) 6.848 7.767 ( 0.698 -3.881 -4.873) 6.269 8.020 ( 1.630 1.168 -2.713) 3.373 8.374 ( -1.715 4.622 -4.422) 6.623 8.458 ( -0.566 3.304 -5.852) 6.744 8.741 ( 4.481 6.606 -2.767) 8.448 9.526 ( -4.701 -8.809 7.558) 12.523 9.781 ( 3.892 -4.719 5.794) 8.426 10.082 ( -14.565 -19.175 11.870) 26.846 10.869 ( 5.123 11.790 -1.377) 12.929 11.226 ( 6.729 9.659 -2.616) 12.059 13.124 ( 1.654 3.009 -19.450) 19.751 13.916 ( 3.843 6.551 -1.902) 7.830 ======================= Grid point 231 (48/146) ======================= q-point: ( 0.20 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 4.531 8.360 6.239) 11.373 1.366 ( 7.991 9.349 8.195) 14.779 1.842 ( -2.228 -2.113 9.685) 10.160 2.311 ( -0.528 -0.978 20.253) 20.284 2.639 ( -2.465 -5.360 30.473) 31.039 3.457 ( -6.371 -13.007 6.447) 15.854 4.130 ( -1.025 4.042 -3.242) 5.282 4.754 ( 4.630 -2.585 -3.638) 6.431 4.948 ( -4.348 2.587 -4.831) 6.995 5.394 ( -4.674 -7.505 -3.689) 9.580 5.478 ( -5.951 -5.510 -1.066) 8.179 5.779 ( -6.234 -1.439 3.985) 7.538 6.071 ( -3.832 -5.078 5.978) 8.730 6.407 ( -2.105 -0.255 -2.353) 3.168 6.933 ( 5.924 2.183 1.194) 6.426 7.735 ( 0.278 -4.589 -3.562) 5.816 8.054 ( 0.562 1.846 -1.986) 2.769 8.390 ( -0.436 2.652 -5.326) 5.965 8.496 ( 0.689 3.597 -5.444) 6.561 8.808 ( -0.016 0.250 1.066) 1.095 9.331 ( -7.812 -12.041 7.853) 16.361 9.679 ( -11.168 -0.138 7.451) 13.426 9.877 ( 8.564 -12.241 6.234) 16.187 11.027 ( -1.355 14.319 -2.981) 14.688 11.494 ( 12.512 9.529 -4.048) 16.240 13.133 ( -0.514 -2.123 -17.370) 17.507 14.017 ( 2.645 2.643 -0.565) 3.782 ======================= Grid point 232 (49/146) ======================= q-point: ( 0.30 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.475 6.417 3.245) 7.987 1.556 ( 4.998 3.866 4.894) 7.993 1.783 ( -0.569 -0.793 11.187) 11.229 2.287 ( -0.235 -2.852 12.524) 12.846 2.557 ( -2.573 -3.081 24.907) 25.229 3.220 ( -5.685 -12.640 14.551) 20.095 4.163 ( -1.486 5.406 -4.457) 7.162 4.801 ( 3.934 -1.309 -4.603) 6.195 4.937 ( 0.100 1.203 0.912) 1.513 5.207 ( -7.320 -3.802 -1.574) 8.398 5.424 ( -0.284 -0.733 -4.895) 4.958 5.671 ( -5.196 -0.549 4.245) 6.732 6.009 ( -1.761 -0.566 0.654) 1.962 6.370 ( -0.857 -0.828 0.932) 1.513 7.053 ( 5.878 1.391 0.039) 6.040 7.684 ( -0.953 -4.846 -2.213) 5.412 8.075 ( -0.249 2.230 -1.847) 2.907 8.404 ( 0.452 -0.359 -4.773) 4.808 8.543 ( 0.236 4.157 -4.693) 6.274 8.768 ( -1.992 -3.311 4.660) 6.054 9.077 ( -8.283 -8.571 3.213) 12.345 9.578 ( -3.102 1.174 6.162) 6.998 9.920 ( 7.540 -8.665 4.968) 12.514 11.117 ( -3.238 12.843 -3.665) 13.743 11.774 ( 8.663 9.829 -5.220) 14.104 13.084 ( -0.630 -4.937 -15.940) 16.699 14.060 ( 1.264 0.011 1.541) 1.993 ======================= Grid point 233 (50/146) ======================= q-point: ( 0.40 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -1.004 3.134 -1.211) 3.507 1.622 ( 3.994 1.429 12.937) 13.615 1.829 ( 3.023 0.338 5.619) 6.390 2.225 ( -2.669 -5.609 6.933) 9.309 2.512 ( -0.231 -0.644 21.707) 21.718 3.064 ( -0.161 -7.984 19.029) 20.637 4.172 ( -3.196 4.876 -3.778) 6.947 4.867 ( 4.752 -1.705 -3.206) 5.981 4.934 ( -0.215 -2.222 0.529) 2.294 5.112 ( -3.020 2.636 -1.856) 4.417 5.428 ( -0.180 1.326 -3.629) 3.868 5.594 ( -4.160 1.278 0.064) 4.352 5.980 ( -1.087 -0.429 -0.983) 1.527 6.377 ( 1.923 0.345 4.799) 5.181 7.140 ( 3.598 -1.006 0.034) 3.736 7.613 ( -2.192 -3.803 -1.659) 4.692 8.096 ( 0.176 2.295 -3.127) 3.883 8.391 ( 0.221 -2.529 -0.090) 2.540 8.575 ( -0.425 2.843 -3.392) 4.446 8.733 ( 1.738 -0.970 2.748) 3.393 8.913 ( -4.482 -4.195 -0.875) 6.201 9.556 ( -1.452 0.927 5.696) 5.951 9.952 ( 5.827 -8.014 4.744) 10.986 11.167 ( -4.538 10.821 -3.895) 12.364 11.945 ( 0.438 8.411 -5.880) 10.272 13.036 ( 1.678 -5.896 -15.293) 16.476 14.069 ( 0.835 -1.212 2.827) 3.187 ======================= Grid point 234 (51/146) ======================= q-point: (-0.50 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -3.027 1.763 -2.991) 4.607 1.730 ( 4.032 -0.557 7.309) 8.366 1.839 ( 1.016 -1.839 13.259) 13.425 2.116 ( -4.017 -2.106 7.786) 9.011 2.528 ( 2.445 -0.687 21.289) 21.440 3.070 ( 7.252 -3.581 17.872) 19.617 4.161 ( -3.640 5.127 -2.840) 6.899 4.843 ( -2.465 -4.216 -2.301) 5.399 4.967 ( 4.505 -0.883 -3.298) 5.652 5.131 ( 0.774 3.644 -1.023) 3.863 5.419 ( -0.432 -1.639 -0.858) 1.900 5.589 ( -0.932 7.463 -2.407) 7.897 5.967 ( 0.289 -1.174 -0.295) 1.245 6.427 ( 3.117 0.435 5.028) 5.932 7.127 ( -2.315 -4.375 0.819) 5.017 7.568 ( 0.337 -0.679 -2.761) 2.863 8.110 ( -1.054 1.344 -4.052) 4.398 8.400 ( 3.114 -1.026 2.190) 3.943 8.594 ( 0.653 0.545 -3.037) 3.154 8.805 ( 4.363 3.526 -0.137) 5.612 8.832 ( -0.446 -2.681 0.743) 2.817 9.538 ( -1.795 1.008 5.326) 5.710 9.960 ( 4.740 -8.488 4.866) 10.872 11.173 ( -6.501 9.455 -3.712) 12.060 11.938 ( -8.134 3.619 -6.147) 10.819 13.039 ( 4.473 -4.319 -15.203) 16.425 14.069 ( 0.552 -1.346 2.842) 3.192 ======================= Grid point 235 (52/146) ======================= q-point: (-0.40 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -4.897 0.510 -0.752) 4.981 1.636 ( -8.644 -6.443 0.473) 10.791 1.849 ( 1.076 -2.597 13.219) 13.515 2.150 ( 5.438 5.921 21.672) 23.115 2.562 ( 2.158 -0.742 23.173) 23.285 3.217 ( 12.581 -1.417 12.668) 17.910 4.150 ( -3.493 4.848 -2.132) 6.344 4.756 ( -3.556 -2.550 -5.050) 6.683 5.012 ( 2.401 -1.702 -4.966) 5.772 5.213 ( 5.268 3.319 -0.667) 6.262 5.424 ( 3.764 -1.683 -0.611) 4.168 5.694 ( 3.781 8.460 2.321) 9.553 5.958 ( -0.098 -0.928 0.225) 0.960 6.480 ( 3.527 -1.509 2.060) 4.354 7.002 ( -6.667 -3.819 1.309) 7.794 7.607 ( 3.248 1.354 -3.862) 5.225 8.090 ( -2.077 0.504 -3.399) 4.015 8.441 ( 1.811 -0.898 -1.621) 2.591 8.587 ( -1.693 -0.963 -3.852) 4.317 8.820 ( 2.215 -1.571 1.168) 2.956 8.995 ( 11.858 6.314 5.170) 14.395 9.525 ( -1.501 3.094 5.192) 6.227 9.949 ( 4.632 -9.946 5.383) 12.221 11.132 ( -8.900 8.866 -3.195) 12.962 11.759 ( -13.243 -2.312 -5.807) 14.644 13.089 ( 4.625 -2.046 -15.797) 16.587 14.058 ( -0.691 -1.033 1.577) 2.008 ======================= Grid point 236 (53/146) ======================= q-point: (-0.30 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -8.586 -1.940 3.652) 9.530 1.387 ( -13.100 -4.393 7.855) 15.893 1.860 ( 1.902 -1.096 8.529) 8.807 2.289 ( 3.631 2.640 25.906) 26.292 2.610 ( 4.656 1.688 29.557) 29.969 3.437 ( 13.173 0.755 5.119) 14.153 4.141 ( -1.449 2.181 -0.902) 2.770 4.691 ( -2.582 0.713 -6.040) 6.607 5.031 ( 2.446 -3.030 -7.545) 8.491 5.345 ( 5.429 3.831 -3.710) 7.610 5.529 ( 11.249 -1.842 2.396) 11.648 5.836 ( 4.994 0.452 3.614) 6.181 5.998 ( 5.660 6.303 3.958) 9.350 6.498 ( 2.287 -6.021 -1.348) 6.581 6.871 ( -6.528 1.467 2.574) 7.168 7.686 ( 3.727 2.214 -4.523) 6.265 8.054 ( -2.488 0.167 -3.125) 3.998 8.434 ( -0.837 -2.050 -3.884) 4.471 8.529 ( -3.058 -1.969 -4.653) 5.906 8.824 ( -1.085 -1.583 -0.119) 1.923 9.299 ( 15.734 4.220 8.726) 18.479 9.590 ( 3.243 10.969 6.310) 13.063 9.934 ( 7.365 -12.255 6.887) 15.870 11.043 ( -11.307 7.095 -2.487) 13.578 11.480 ( -14.660 -5.110 -4.568) 16.183 13.135 ( 2.056 -0.831 -17.300) 17.441 14.016 ( -3.611 -0.849 -0.532) 3.748 ======================= Grid point 241 (54/146) ======================= q-point: ( 0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 3.586 6.691 1.713) 7.782 1.544 ( 2.293 8.128 2.428) 8.787 1.802 ( -2.741 -0.978 11.485) 11.848 2.247 ( 0.557 -5.908 21.023) 21.845 2.555 ( -1.439 -3.035 22.411) 22.661 3.196 ( -7.175 -12.580 13.728) 19.955 4.213 ( 2.458 3.757 -3.104) 5.458 4.739 ( 2.094 0.895 -5.032) 5.524 4.969 ( -2.733 -0.059 -4.003) 4.848 5.251 ( -3.591 -6.339 -0.634) 7.313 5.413 ( -0.401 -1.537 -2.162) 2.683 5.750 ( -4.095 -1.938 5.175) 6.878 5.995 ( 2.490 -2.400 1.663) 3.837 6.409 ( -4.843 -0.020 -4.005) 6.284 6.985 ( 4.225 3.414 3.558) 6.493 7.642 ( -0.090 -4.666 -3.208) 5.663 8.094 ( 0.756 2.078 -2.223) 3.135 8.413 ( -1.774 -0.288 -4.504) 4.850 8.573 ( 1.049 3.658 -3.403) 5.105 8.782 ( -3.382 -2.445 2.652) 4.944 9.085 ( -4.545 -12.488 5.083) 14.228 9.617 ( 1.714 -4.351 5.632) 7.321 9.786 ( -2.828 0.782 5.053) 5.843 11.237 ( 3.377 6.945 -3.255) 8.380 11.738 ( 9.464 15.213 -6.193) 18.957 13.060 ( -3.152 -5.179 -15.572) 16.711 14.047 ( 0.361 0.513 1.421) 1.554 ======================= Grid point 242 (55/146) ======================= q-point: ( 0.30 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.530 5.471 -0.880) 5.748 1.596 ( -0.042 1.124 5.153) 5.274 1.790 ( 1.306 0.650 10.017) 10.123 2.184 ( -0.736 -7.366 15.099) 16.816 2.511 ( -0.709 -1.661 15.931) 16.033 3.001 ( -2.971 -8.754 21.558) 23.457 4.268 ( -1.059 4.951 -3.462) 6.133 4.779 ( 2.886 -1.133 -3.646) 4.786 4.932 ( -1.295 -1.479 -3.111) 3.680 5.165 ( -2.124 -0.598 -1.237) 2.530 5.433 ( 1.610 1.227 -0.890) 2.211 5.674 ( -3.813 0.803 1.717) 4.258 6.009 ( -0.569 0.752 -0.840) 1.263 6.350 ( -0.620 -1.518 -1.807) 2.439 7.074 ( 3.512 1.020 4.285) 5.633 7.594 ( -0.518 -3.991 -1.772) 4.398 8.119 ( -0.033 2.143 -1.843) 2.827 8.371 ( -1.255 -2.982 -1.622) 3.619 8.623 ( -0.126 2.938 -3.216) 4.358 8.701 ( -1.276 -1.971 2.651) 3.541 8.926 ( -3.201 -7.033 0.257) 7.731 9.591 ( -1.392 -0.044 5.106) 5.293 9.797 ( 3.763 -3.504 4.574) 6.882 11.316 ( -1.270 6.806 -3.430) 7.727 12.030 ( 5.352 16.352 -7.736) 18.865 12.945 ( -1.351 -9.461 -14.417) 17.298 14.045 ( 0.226 -1.303 3.138) 3.405 ======================= Grid point 243 (56/146) ======================= q-point: ( 0.40 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -3.811 4.018 -3.887) 6.766 1.645 ( 4.978 0.006 6.544) 8.222 1.807 ( 0.466 -1.767 13.952) 14.072 2.105 ( 0.541 -5.822 8.763) 10.535 2.497 ( 0.217 -0.648 15.007) 15.023 2.938 ( 2.958 -4.402 24.386) 24.956 4.279 ( -3.358 5.365 -3.134) 7.063 4.803 ( 1.881 -3.617 -1.080) 4.218 4.909 ( 1.149 -1.074 -6.213) 6.409 5.156 ( -0.394 1.683 -1.412) 2.232 5.444 ( -1.870 0.533 2.924) 3.512 5.659 ( -0.430 3.663 -3.245) 4.913 5.989 ( -2.882 2.124 -2.129) 4.165 6.361 ( 3.499 -2.499 0.566) 4.336 7.108 ( 0.503 -1.607 4.861) 5.144 7.556 ( -0.168 -1.798 -1.390) 2.278 8.137 ( -0.301 1.588 -2.765) 3.203 8.337 ( 1.521 -2.576 2.415) 3.845 8.610 ( -1.396 0.951 -3.105) 3.535 8.747 ( 4.454 1.816 0.591) 4.846 8.829 ( -2.040 -4.267 -1.699) 5.025 9.574 ( -1.141 0.879 4.805) 5.016 9.817 ( 3.362 -5.072 4.552) 7.599 11.338 ( -3.238 5.840 -3.395) 7.491 12.167 ( -8.144 13.707 -8.441) 18.040 12.877 ( 5.960 -10.121 -13.994) 18.270 14.039 ( 0.893 -1.583 3.834) 4.243 ======================= Grid point 245 (57/146) ======================= q-point: (-0.50 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -4.818 2.619 -2.132) 5.884 1.659 ( -1.301 -5.121 -0.977) 5.373 1.804 ( 1.130 -1.763 16.923) 17.052 2.125 ( 4.010 2.543 15.265) 15.986 2.511 ( 2.221 -0.563 16.751) 16.907 3.007 ( 9.007 -2.245 20.742) 22.724 4.263 ( -4.003 3.896 -2.795) 6.246 4.773 ( -1.182 -2.317 -3.489) 4.352 4.947 ( 3.307 -1.124 -4.905) 6.021 5.173 ( 1.575 0.775 -1.260) 2.161 5.410 ( -1.857 0.853 0.532) 2.112 5.704 ( 1.793 2.092 1.035) 2.944 5.974 ( -1.495 2.706 -1.013) 3.254 6.395 ( 3.646 -3.487 -1.648) 5.307 7.061 ( -3.629 -1.551 5.021) 6.386 7.569 ( 2.419 0.747 -2.391) 3.482 8.128 ( -1.702 0.311 -2.544) 3.077 8.378 ( 4.111 -0.991 -0.017) 4.228 8.609 ( -0.781 1.363 -2.309) 2.792 8.761 ( 1.006 -4.309 0.514) 4.455 8.882 ( 7.433 3.615 0.824) 8.306 9.572 ( -0.588 2.305 4.787) 5.346 9.810 ( 2.056 -5.644 4.762) 7.665 11.319 ( -4.983 4.185 -3.300) 7.296 12.025 ( -17.118 3.957 -7.946) 19.283 12.947 ( 8.926 -3.718 -14.342) 17.297 14.045 ( 0.983 -0.802 3.147) 3.393 ======================= Grid point 253 (58/146) ======================= q-point: ( 0.30 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 3.324 3.759 -5.261) 7.270 1.604 ( -2.969 -1.228 0.080) 3.214 1.796 ( 0.498 0.515 24.042) 24.052 2.047 ( -2.126 -5.083 7.326) 9.167 2.493 ( 0.023 -0.211 11.408) 11.410 2.895 ( -1.603 -2.507 27.618) 27.778 4.341 ( 1.343 2.197 -2.708) 3.736 4.760 ( -0.383 -0.632 -1.401) 1.584 4.895 ( -0.957 -1.526 -7.952) 8.153 5.171 ( 0.127 0.538 -1.068) 1.203 5.458 ( 1.245 1.129 4.597) 4.895 5.685 ( -0.779 -0.107 -2.682) 2.795 6.042 ( 2.134 2.186 -4.231) 5.218 6.308 ( -2.256 -2.385 -1.372) 3.558 7.093 ( 0.579 0.775 7.127) 7.192 7.543 ( -0.339 -1.169 -0.884) 1.504 8.150 ( 0.241 0.824 -1.744) 1.944 8.311 ( -1.249 -2.258 2.230) 3.411 8.627 ( 0.386 -0.464 -2.670) 2.737 8.733 ( -0.712 3.044 -0.585) 3.180 8.808 ( -0.972 -4.757 -1.707) 5.147 9.586 ( 0.131 -0.144 4.305) 4.309 9.766 ( -0.439 -0.475 4.578) 4.624 11.391 ( 0.913 1.640 -3.134) 3.653 12.358 ( 9.146 15.670 -10.305) 20.866 12.727 ( -7.138 -12.242 -12.800) 19.096 14.022 ( -0.459 -0.805 4.304) 4.403 ======================= Grid point 327 (59/146) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 -0.000 11.857) 11.857 1.419 ( 0.000 -0.000 23.033) 23.033 1.990 ( 0.000 0.000 5.743) 5.743 2.889 ( 0.000 0.000 29.920) 29.920 3.497 ( -0.000 -0.000 -8.885) 8.885 3.569 ( 0.000 -0.000 33.273) 33.273 4.143 ( 0.000 0.000 -14.445) 14.445 4.636 ( 0.000 0.000 -16.411) 16.411 5.004 ( 0.000 0.000 16.661) 16.661 5.254 ( 0.000 0.000 -17.657) 17.657 5.907 ( 0.000 -0.000 -4.804) 4.804 6.028 ( 0.000 0.000 -7.353) 7.353 6.339 ( 0.000 0.000 0.936) 0.936 6.424 ( 0.000 0.000 -0.446) 0.446 7.356 ( 0.000 -0.000 -2.164) 2.164 7.846 ( -0.000 0.000 -7.753) 7.753 7.880 ( 0.000 0.000 -0.545) 0.545 8.093 ( -0.000 -0.000 -1.579) 1.579 8.336 ( 0.000 -0.000 -2.399) 2.399 8.370 ( -0.000 0.000 -2.869) 2.869 9.853 ( 0.000 0.000 5.988) 5.988 9.981 ( 0.000 -0.000 5.050) 5.050 10.451 ( 0.000 0.000 6.192) 6.192 10.987 ( 0.000 0.000 -1.689) 1.689 10.997 ( -0.000 0.000 -1.386) 1.386 12.547 ( 0.000 -0.000 -16.152) 16.152 13.705 ( 0.000 -0.000 -1.460) 1.460 ======================= Grid point 328 (60/146) ======================= q-point: ( 0.10 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.493 1.439 10.590) 10.974 1.444 ( 2.127 1.228 21.335) 21.476 1.997 ( 0.623 0.360 5.627) 5.673 2.844 ( -4.131 -2.385 24.498) 24.958 3.509 ( -2.681 -1.548 20.861) 21.090 3.558 ( 2.777 1.603 7.695) 8.336 4.131 ( -1.690 -0.976 -11.123) 11.293 4.603 ( -2.127 -1.228 -15.397) 15.591 4.971 ( -2.186 -1.262 11.124) 11.407 5.273 ( 1.253 0.724 -14.160) 14.233 5.824 ( -7.766 -4.484 -4.083) 9.853 5.938 ( -5.923 -3.420 -4.931) 8.432 6.356 ( 0.381 0.220 -0.179) 0.475 6.458 ( 1.212 0.700 -0.990) 1.715 7.137 ( -15.153 -8.749 4.388) 18.039 7.695 ( -2.396 -1.383 -7.800) 8.276 7.970 ( 2.223 1.283 -1.776) 3.121 8.200 ( 3.632 2.097 -2.588) 4.928 8.310 ( -0.639 -0.369 -4.090) 4.156 8.549 ( 12.273 7.086 -1.679) 14.271 9.790 ( -5.410 -3.123 6.746) 9.194 9.937 ( -2.084 -1.203 5.309) 5.829 10.533 ( 1.171 0.676 6.654) 6.790 10.755 ( -13.509 -7.799 -0.936) 15.627 11.064 ( 6.374 3.680 -2.132) 7.663 12.646 ( 6.291 3.632 -18.376) 19.760 13.777 ( 5.884 3.397 -1.634) 6.988 ======================= Grid point 329 (61/146) ======================= q-point: ( 0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 3.978 2.297 7.299) 8.624 1.511 ( 3.808 2.199 16.613) 17.185 2.013 ( 0.619 0.357 6.563) 6.601 2.714 ( -7.187 -4.149 15.407) 17.500 3.386 ( -7.240 -4.180 28.873) 30.059 3.655 ( 3.720 2.148 5.865) 7.270 4.066 ( -3.272 -1.889 -3.953) 5.469 4.568 ( -0.731 -0.422 -15.601) 15.624 4.944 ( 0.333 0.192 6.278) 6.290 5.284 ( -0.820 -0.474 -11.134) 11.174 5.596 ( -11.133 -6.428 -1.595) 12.954 5.816 ( -4.965 -2.866 -3.137) 6.535 6.262 ( -9.120 -5.266 0.884) 10.568 6.454 ( -0.614 -0.355 1.433) 1.599 6.935 ( -1.428 -0.825 3.205) 3.604 7.683 ( 0.147 0.085 -7.029) 7.031 8.009 ( 1.377 0.795 -0.636) 1.712 8.248 ( 1.492 0.861 -3.047) 3.500 8.325 ( 1.807 1.043 -5.541) 5.921 8.781 ( 7.436 4.293 1.155) 8.664 9.653 ( -7.117 -4.109 7.104) 10.862 9.851 ( -7.562 -4.366 6.368) 10.807 10.264 ( -12.231 -7.061 6.121) 15.392 10.758 ( 4.878 2.816 -1.953) 5.962 11.270 ( 11.283 6.514 -3.867) 13.590 12.748 ( 2.433 1.405 -19.628) 19.828 13.927 ( 6.704 3.871 -1.280) 7.847 ======================= Grid point 330 (62/146) ======================= q-point: ( 0.30 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 3.471 2.004 2.994) 5.003 1.604 ( 4.123 2.380 9.780) 10.877 2.020 ( 0.078 0.045 9.751) 9.751 2.549 ( -6.869 -3.966 9.494) 12.371 3.208 ( -8.224 -4.748 25.450) 27.164 3.661 ( -3.267 -1.886 14.059) 14.556 4.041 ( 1.261 0.728 -0.748) 1.637 4.579 ( 2.011 1.161 -14.148) 14.337 4.985 ( 2.894 1.671 3.134) 4.581 5.200 ( -6.984 -4.032 -7.330) 10.898 5.398 ( -5.639 -3.255 -0.913) 6.574 5.720 ( -3.615 -2.087 -2.100) 4.673 6.050 ( -8.425 -4.864 -0.538) 9.744 6.453 ( 0.745 0.430 3.277) 3.388 6.991 ( 4.640 2.679 0.433) 5.375 7.677 ( -0.919 -0.530 -4.897) 5.011 8.028 ( 0.325 0.188 -0.015) 0.375 8.286 ( 1.959 1.131 -5.395) 5.850 8.378 ( 2.808 1.621 -4.084) 5.215 8.879 ( 1.823 1.052 4.290) 4.779 9.385 ( -16.415 -9.477 7.382) 20.341 9.698 ( -3.348 -1.933 5.747) 6.926 10.149 ( -0.867 -0.500 4.468) 4.579 10.856 ( 3.858 2.227 -3.413) 5.612 11.523 ( 10.556 6.095 -5.726) 13.468 12.764 ( -0.558 -0.322 -19.416) 19.426 14.052 ( 4.343 2.507 0.312) 5.025 ======================= Grid point 331 (63/146) ======================= q-point: ( 0.40 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -0.794 -0.458 -1.439) 1.706 1.676 ( 2.311 1.334 2.449) 3.622 2.049 ( 3.744 2.161 14.493) 15.124 2.424 ( -4.800 -2.771 7.427) 9.267 3.045 ( -5.765 -3.328 21.244) 22.263 3.566 ( -3.992 -2.305 20.124) 20.645 4.080 ( 1.458 0.842 0.662) 1.809 4.658 ( 4.751 2.743 -12.416) 13.574 4.989 ( -6.119 -3.533 -5.705) 9.081 5.096 ( 1.963 1.133 3.669) 4.313 5.318 ( -2.034 -1.174 -3.410) 4.140 5.634 ( -4.672 -2.698 -0.279) 5.402 5.918 ( -3.006 -1.736 -5.727) 6.697 6.490 ( 2.337 1.349 4.913) 5.605 7.102 ( 4.841 2.795 0.497) 5.612 7.634 ( -3.079 -1.778 -2.811) 4.533 8.026 ( -0.368 -0.212 -0.963) 1.053 8.338 ( 2.858 1.650 -5.012) 6.001 8.443 ( 2.757 1.592 -2.888) 4.299 8.888 ( -0.364 -0.210 6.233) 6.248 9.042 ( -12.786 -7.382 4.887) 15.552 9.662 ( -0.786 -0.454 5.034) 5.115 10.151 ( 0.494 0.285 4.490) 4.526 10.928 ( 2.494 1.440 -4.506) 5.347 11.713 ( 6.003 3.466 -7.000) 9.851 12.741 ( -1.132 -0.653 -19.042) 19.087 14.121 ( 1.911 1.104 1.946) 2.942 ======================= Grid point 332 (64/146) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -3.866 -2.232 -5.087) 6.768 1.718 ( 1.257 0.726 -2.308) 2.726 2.204 ( 9.796 5.656 18.427) 21.622 2.302 ( -6.384 -3.686 9.748) 12.221 2.974 ( -0.621 -0.358 17.311) 17.326 3.513 ( -0.516 -0.298 22.352) 22.360 4.098 ( 0.337 0.195 1.723) 1.766 4.766 ( 4.108 2.372 -11.872) 12.785 4.834 ( -6.753 -3.899 -6.606) 10.220 5.151 ( 1.310 0.756 3.940) 4.221 5.328 ( 3.783 2.184 -4.574) 6.325 5.525 ( -4.075 -2.353 0.161) 4.708 5.902 ( 0.780 0.450 -6.843) 6.902 6.542 ( 2.115 1.221 4.704) 5.300 7.180 ( 1.306 0.754 2.188) 2.657 7.546 ( -4.094 -2.364 -2.277) 5.247 8.016 ( -0.515 -0.297 -2.773) 2.836 8.414 ( 3.379 1.951 -1.328) 4.121 8.491 ( 1.517 0.876 -4.019) 4.384 8.850 ( -3.786 -2.186 3.779) 5.779 8.895 ( 1.393 0.804 5.899) 6.114 9.642 ( -1.172 -0.676 4.749) 4.938 10.161 ( 0.389 0.224 4.687) 4.708 10.962 ( 0.548 0.316 -4.778) 4.820 11.774 ( -0.656 -0.379 -7.638) 7.676 12.729 ( 0.242 0.139 -18.807) 18.809 14.142 ( -0.025 -0.015 2.606) 2.606 ======================= Grid point 334 (65/146) ======================= q-point: (-0.40 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.891 -0.514 -6.450) 6.532 1.713 ( -1.866 -1.077 -0.175) 2.161 2.146 ( -6.703 -3.870 9.542) 12.287 2.469 ( 12.888 7.441 23.173) 27.540 2.997 ( 2.263 1.306 15.416) 15.636 3.544 ( 2.943 1.699 20.765) 21.041 4.103 ( 0.327 0.189 2.410) 2.439 4.670 ( -7.322 -4.227 -10.151) 13.211 4.843 ( 2.031 1.172 -9.695) 9.975 5.162 ( 0.681 0.393 -1.088) 1.343 5.457 ( 3.887 2.244 1.026) 4.604 5.519 ( 7.195 4.154 -1.561) 8.454 5.923 ( 0.760 0.439 -5.148) 5.223 6.579 ( 1.128 0.651 3.028) 3.296 7.123 ( -6.221 -3.591 4.697) 8.582 7.502 ( 0.528 0.305 -4.290) 4.333 8.002 ( -0.815 -0.471 -3.936) 4.047 8.448 ( -0.245 -0.142 0.308) 0.418 8.504 ( -0.900 -0.520 -5.345) 5.445 8.867 ( 3.263 1.884 3.459) 5.115 8.993 ( 9.082 5.244 7.020) 12.620 9.611 ( -1.394 -0.805 4.691) 4.959 10.170 ( 0.493 0.285 4.911) 4.944 10.951 ( -1.587 -0.916 -4.220) 4.600 11.687 ( -6.855 -3.958 -7.527) 10.923 12.749 ( 1.326 0.766 -18.841) 18.903 14.120 ( -1.944 -1.122 1.989) 2.999 ======================= Grid point 335 (66/146) ======================= q-point: (-0.30 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.262 -0.151 -2.746) 2.763 1.639 ( -4.553 -2.629 7.888) 9.479 2.032 ( -3.087 -1.782 7.887) 8.656 2.725 ( 8.428 4.866 22.913) 24.894 3.086 ( 6.680 3.857 17.218) 18.866 3.613 ( 2.364 1.365 17.160) 17.376 4.130 ( 2.478 1.431 3.005) 4.149 4.513 ( -6.182 -3.569 -13.258) 15.058 4.875 ( 1.336 0.772 -8.209) 8.353 5.203 ( 2.670 1.542 -4.767) 5.677 5.542 ( 5.389 3.111 -1.134) 6.325 5.775 ( 12.512 7.224 1.576) 14.533 5.936 ( 1.546 0.893 -2.373) 2.970 6.591 ( -0.158 -0.091 0.254) 0.313 6.965 ( -6.370 -3.677 6.101) 9.556 7.542 ( 2.408 1.390 -5.789) 6.422 7.978 ( -1.380 -0.797 -4.069) 4.370 8.416 ( -2.605 -1.504 -2.454) 3.882 8.466 ( -1.788 -1.032 -3.548) 4.105 8.889 ( -2.069 -1.195 3.557) 4.285 9.312 ( 17.699 10.218 6.843) 21.552 9.604 ( 1.468 0.847 5.722) 5.968 10.194 ( 2.129 1.229 5.445) 5.974 10.894 ( -3.435 -1.983 -3.055) 5.006 11.487 ( -10.656 -6.152 -6.424) 13.880 12.773 ( 0.408 0.236 -19.230) 19.236 14.051 ( -4.332 -2.501 0.371) 5.016 ======================= Grid point 336 (67/146) ======================= q-point: (-0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -2.108 -1.217 4.539) 5.150 1.530 ( -4.694 -2.710 16.164) 17.049 2.001 ( -0.313 -0.181 5.437) 5.449 2.827 ( 2.065 1.192 21.988) 22.117 3.292 ( 10.139 5.854 19.805) 23.006 3.622 ( -1.547 -0.893 12.886) 13.009 4.184 ( 0.452 0.261 -1.384) 1.480 4.453 ( 2.513 1.451 -13.053) 13.372 4.914 ( 2.230 1.288 -3.989) 4.748 5.256 ( 1.606 0.927 -8.396) 8.598 5.700 ( 8.354 4.823 -3.552) 10.279 5.879 ( 0.242 0.140 -0.700) 0.753 6.158 ( 13.784 7.958 0.583) 15.927 6.552 ( -3.605 -2.082 -1.991) 4.615 6.913 ( 3.359 1.939 8.514) 9.356 7.595 ( 2.386 1.378 -7.489) 7.980 7.946 ( -1.280 -0.739 -3.437) 3.742 8.345 ( -3.481 -2.010 -3.844) 5.561 8.427 ( -1.920 -1.109 -2.584) 3.405 8.758 ( -9.549 -5.513 0.389) 11.033 9.649 ( 8.139 4.699 6.162) 11.238 9.730 ( 11.328 6.540 7.228) 14.944 10.313 ( 10.182 5.878 7.020) 13.693 10.799 ( -5.009 -2.892 -1.824) 6.064 11.238 ( -10.812 -6.242 -4.420) 13.244 12.752 ( -2.634 -1.521 -19.541) 19.776 13.927 ( -6.670 -3.851 -1.243) 7.801 ======================= Grid point 337 (68/146) ======================= q-point: (-0.10 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -2.015 -1.163 10.172) 10.435 1.447 ( -2.534 -1.463 21.261) 21.462 1.995 ( -0.348 -0.201 5.378) 5.393 2.865 ( 1.623 0.937 26.120) 26.187 3.472 ( 4.906 2.832 11.835) 13.121 3.571 ( -1.975 -1.140 15.832) 15.995 4.156 ( -1.428 -0.824 -11.279) 11.399 4.574 ( 5.510 3.181 -13.038) 14.508 4.970 ( 2.486 1.435 7.631) 8.153 5.266 ( -0.511 -0.295 -13.360) 13.373 5.859 ( 4.012 2.316 -4.204) 6.256 5.934 ( 5.949 3.435 -4.544) 8.236 6.344 ( 1.774 1.024 -0.282) 2.068 6.466 ( -3.041 -1.756 -1.501) 3.819 7.144 ( 15.186 8.767 5.583) 18.402 7.664 ( 4.850 2.800 -7.998) 9.764 7.929 ( -0.237 -0.137 -2.497) 2.512 8.257 ( -5.619 -3.244 -3.838) 7.539 8.373 ( -3.083 -1.780 -2.130) 4.149 8.499 ( -11.443 -6.607 -2.249) 13.403 9.794 ( 5.313 3.068 6.659) 9.054 9.910 ( 4.965 2.866 5.481) 7.932 10.534 ( -1.000 -0.577 6.782) 6.880 10.781 ( 11.199 6.466 -0.801) 12.957 11.048 ( -5.547 -3.202 -2.340) 6.819 12.647 ( -6.376 -3.681 -18.360) 19.781 13.777 ( -5.871 -3.390 -1.628) 6.972 ======================= Grid point 339 (69/146) ======================= q-point: ( 0.10 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 2.489 2.669 7.311) 8.171 1.496 ( 1.646 4.078 18.034) 18.562 2.003 ( 0.488 0.029 5.651) 5.672 2.797 ( -5.551 -2.164 19.917) 20.789 3.389 ( -1.566 -9.708 23.976) 25.914 3.616 ( 2.319 2.405 8.813) 9.425 4.136 ( -4.058 1.399 -5.526) 6.997 4.528 ( 2.077 -5.113 -13.210) 14.317 4.931 ( -0.673 -2.552 2.199) 3.435 5.278 ( 0.865 -0.630 -10.441) 10.496 5.702 ( -9.169 -8.268 -3.030) 12.713 5.865 ( -3.029 -2.096 -2.207) 4.294 6.343 ( 5.015 -8.396 -0.596) 9.798 6.417 ( -9.679 -0.138 0.022) 9.680 6.963 ( -2.489 -5.055 6.483) 8.590 7.641 ( 1.787 -3.324 -7.660) 8.539 7.965 ( 3.141 0.231 -2.282) 3.889 8.293 ( -1.819 3.544 -3.703) 5.438 8.361 ( -2.396 5.309 -3.400) 6.744 8.714 ( 6.992 9.005 -0.095) 11.402 9.673 ( -4.398 -8.403 7.043) 11.813 9.894 ( 2.848 -4.143 5.306) 7.310 10.277 ( -13.988 -19.494 7.617) 25.174 10.834 ( 3.566 10.097 -1.691) 10.841 11.165 ( 6.264 7.674 -3.404) 10.474 12.729 ( 1.876 3.509 -19.440) 19.843 13.886 ( 4.015 6.913 -1.497) 8.133 ======================= Grid point 340 (70/146) ======================= q-point: ( 0.20 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 3.692 2.087 3.043) 5.220 1.573 ( 2.707 3.792 12.435) 13.279 2.008 ( 0.440 -0.720 7.845) 7.890 2.655 ( -8.338 -1.976 13.110) 15.662 3.238 ( -4.188 -10.646 25.102) 27.586 3.645 ( 0.422 -3.339 13.581) 13.992 4.093 ( -2.897 4.357 -1.443) 5.428 4.542 ( 2.813 -1.209 -14.112) 14.441 4.919 ( 2.325 -2.642 0.204) 3.525 5.263 ( -2.010 -1.902 -8.032) 8.496 5.468 ( -8.327 -6.178 -0.431) 10.377 5.790 ( -4.758 0.254 -1.772) 5.083 6.184 ( -11.129 -4.443 3.516) 12.488 6.361 ( 4.455 -6.171 -1.889) 7.842 6.978 ( 2.196 4.556 3.442) 6.118 7.640 ( 1.935 -3.778 -5.761) 7.155 8.019 ( 2.127 1.044 -1.253) 2.680 8.283 ( -1.185 1.537 -5.095) 5.452 8.403 ( -0.139 6.213 -3.391) 7.080 8.852 ( 2.837 2.519 3.220) 4.976 9.482 ( -8.244 -12.762 6.959) 16.711 9.820 ( -11.549 -0.319 6.419) 13.217 9.995 ( 6.288 -14.593 5.179) 16.713 10.959 ( -2.030 13.099 -3.248) 13.648 11.399 ( 11.478 7.656 -5.247) 14.761 12.757 ( 0.060 -0.799 -19.318) 19.334 14.012 ( 3.992 4.332 -0.274) 5.897 ======================= Grid point 341 (71/146) ======================= q-point: ( 0.30 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 2.178 0.425 -1.468) 2.661 1.644 ( 2.409 1.228 5.805) 6.404 2.012 ( 1.484 -0.117 11.756) 11.850 2.508 ( -7.075 -0.745 9.481) 11.853 3.064 ( -4.049 -9.864 21.938) 24.392 3.577 ( -2.104 -5.249 20.205) 20.982 4.118 ( -1.367 6.014 -0.349) 6.178 4.599 ( 4.258 0.909 -12.764) 13.486 4.935 ( 2.712 -5.239 -2.410) 6.372 5.169 ( -5.332 -0.580 -2.675) 5.994 5.355 ( -2.288 -0.081 -1.716) 2.861 5.707 ( -5.639 -0.178 -0.799) 5.698 5.993 ( -7.804 -1.348 -2.073) 8.186 6.396 ( 6.188 -4.962 1.202) 8.022 7.077 ( 3.130 5.577 2.669) 6.930 7.625 ( 0.551 -4.016 -3.569) 5.400 8.046 ( -0.492 1.632 -0.762) 1.867 8.298 ( 2.021 0.480 -5.465) 5.846 8.462 ( -0.085 5.858 -2.900) 6.537 8.873 ( 0.200 -2.166 5.538) 5.950 9.165 ( -12.110 -12.019 5.567) 17.947 9.697 ( -3.641 0.697 5.458) 6.597 10.017 ( 7.434 -9.121 4.480) 12.591 11.033 ( -3.650 12.260 -4.395) 13.526 11.649 ( 8.405 7.807 -7.043) 13.461 12.728 ( -0.498 -3.667 -18.805) 19.166 14.095 ( 2.488 1.653 1.549) 3.365 ======================= Grid point 342 (72/146) ======================= q-point: ( 0.40 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -2.790 -1.702 -5.087) 6.046 1.683 ( 2.488 -0.701 -0.036) 2.585 2.089 ( 6.708 1.881 15.217) 16.736 2.395 ( -6.123 -0.553 10.395) 12.077 2.942 ( -0.131 -7.084 18.073) 19.413 3.510 ( -0.892 -2.643 23.947) 24.108 4.142 ( -2.154 5.054 0.520) 5.518 4.694 ( 5.657 0.768 -11.463) 12.806 4.871 ( -3.011 -6.394 -5.350) 8.864 5.135 ( 0.282 0.717 0.747) 1.073 5.358 ( -0.894 5.374 -3.010) 6.224 5.595 ( -5.954 -1.173 -0.105) 6.069 5.909 ( -2.004 0.300 -5.766) 6.111 6.458 ( 5.917 -4.075 2.530) 7.617 7.171 ( 2.081 3.676 3.144) 5.266 7.576 ( -2.197 -3.341 -1.853) 4.407 8.042 ( -1.585 1.695 -1.931) 3.019 8.359 ( 4.252 0.782 -2.835) 5.170 8.502 ( -0.759 3.403 -2.895) 4.532 8.842 ( 0.533 -4.565 5.976) 7.539 8.923 ( -5.902 -4.282 3.192) 7.960 9.666 ( -1.643 0.607 5.037) 5.333 10.047 ( 6.014 -8.263 4.538) 11.182 11.075 ( -4.611 10.773 -4.932) 12.714 11.802 ( 0.926 6.351 -8.155) 10.377 12.690 ( 1.391 -4.803 -18.438) 19.104 14.131 ( 1.051 -0.113 2.788) 2.981 ======================= Grid point 343 (73/146) ======================= q-point: (-0.50 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -2.810 -0.147 -7.201) 7.731 1.705 ( 1.069 -1.885 -1.527) 2.651 2.172 ( -0.620 -5.195 11.269) 12.424 2.376 ( 5.431 7.430 19.622) 21.673 2.923 ( 4.146 -4.688 15.171) 16.411 3.504 ( 1.972 -0.385 24.155) 24.239 4.149 ( -2.447 4.679 1.075) 5.388 4.730 ( -4.591 -5.379 -9.523) 11.862 4.796 ( 3.645 -0.065 -8.531) 9.277 5.153 ( 1.059 -0.005 -0.268) 1.092 5.392 ( -0.024 1.284 -1.880) 2.277 5.563 ( 0.539 7.913 -0.230) 7.935 5.906 ( 0.848 -0.079 -5.460) 5.526 6.500 ( 4.429 -5.581 1.711) 7.327 7.189 ( -3.022 0.155 5.197) 6.013 7.511 ( -1.775 -0.811 -2.779) 3.396 8.031 ( -1.754 1.719 -3.347) 4.151 8.415 ( 1.597 -2.289 -0.991) 2.962 8.526 ( 0.657 2.955 -2.557) 3.963 8.820 ( 2.035 -1.284 1.266) 2.719 8.909 ( 4.935 0.971 6.843) 8.493 9.643 ( -1.942 0.842 4.862) 5.303 10.058 ( 5.116 -8.621 4.709) 11.076 11.084 ( -6.085 9.604 -4.788) 12.336 11.789 ( -7.099 1.965 -8.429) 11.194 12.694 ( 3.839 -3.450 -18.323) 19.036 14.131 ( -0.470 -0.976 2.806) 3.008 ======================= Grid point 344 (74/146) ======================= q-point: (-0.40 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.818 1.875 -5.776) 6.128 1.674 ( -2.233 -2.505 3.600) 4.921 2.065 ( -3.805 -3.889 9.755) 11.170 2.606 ( 10.426 5.209 21.697) 24.629 2.985 ( 7.334 -1.324 15.638) 17.323 3.559 ( 4.279 0.122 21.357) 21.781 4.154 ( -1.972 3.973 1.580) 4.709 4.585 ( -6.171 -4.014 -11.589) 13.729 4.848 ( 2.262 -0.060 -8.334) 8.635 5.181 ( 2.004 1.466 -3.279) 4.113 5.425 ( 5.431 -2.059 -0.200) 5.812 5.729 ( 5.946 11.472 0.527) 12.932 5.924 ( 1.253 0.951 -2.973) 3.363 6.498 ( 3.755 -8.752 -0.403) 9.532 7.083 ( -8.003 -0.375 6.500) 10.317 7.519 ( 1.776 1.505 -4.725) 5.268 8.014 ( -2.262 1.539 -3.764) 4.653 8.390 ( 0.251 -4.484 -3.276) 5.559 8.526 ( -3.435 1.383 -1.855) 4.142 8.873 ( 2.963 -0.953 3.992) 5.062 9.110 ( 15.067 6.112 6.020) 17.338 9.631 ( -1.069 3.391 5.154) 6.262 10.055 ( 5.416 -9.896 5.045) 12.358 11.056 ( -7.933 8.827 -4.049) 12.540 11.621 ( -11.613 -2.917 -7.614) 14.189 12.736 ( 3.465 -1.626 -18.630) 19.019 14.094 ( -2.698 -1.299 1.589) 3.390 ======================= Grid point 345 (75/146) ======================= q-point: (-0.30 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -2.313 1.312 0.427) 2.693 1.590 ( -4.779 -2.017 11.724) 12.820 2.006 ( -0.717 -0.702 7.082) 7.153 2.751 ( 5.670 -2.557 18.777) 19.781 3.165 ( 11.346 4.718 20.775) 24.137 3.622 ( 2.009 0.303 16.013) 16.141 4.158 ( 0.123 -0.636 1.028) 1.215 4.484 ( -3.022 1.431 -13.821) 14.219 4.884 ( 2.109 0.577 -5.517) 5.935 5.241 ( 2.245 2.144 -6.553) 7.251 5.537 ( 10.358 -2.440 -1.336) 10.725 5.853 ( 1.750 -1.588 -0.815) 2.500 6.071 ( 9.450 12.840 2.009) 16.069 6.462 ( 3.519 -11.182 -1.992) 11.890 6.965 ( -5.711 1.782 6.401) 8.761 7.576 ( 2.343 2.499 -6.242) 7.120 7.986 ( -2.655 1.512 -3.293) 4.492 8.346 ( -0.450 -4.136 -4.349) 6.018 8.459 ( -4.174 -1.544 -2.346) 5.031 8.853 ( -4.287 -1.505 2.783) 5.328 9.453 ( 16.373 3.705 6.535) 18.014 9.719 ( 4.623 11.356 6.263) 13.768 10.066 ( 9.806 -11.617 6.009) 16.347 10.985 ( -9.864 6.520 -2.943) 12.185 11.374 ( -12.548 -4.440 -5.720) 14.487 12.761 ( 0.592 -0.821 -19.234) 19.261 14.012 ( -5.743 -1.234 -0.244) 5.879 ======================= Grid point 350 (76/146) ======================= q-point: ( 0.20 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.316 -0.060 -4.016) 5.208 1.637 ( 0.300 2.381 6.659) 7.078 2.011 ( -0.599 1.832 10.122) 10.303 2.616 ( -6.412 -3.073 14.703) 16.332 3.005 ( -3.027 -12.229 19.743) 23.420 3.562 ( -1.975 -4.268 21.852) 22.352 4.190 ( 0.808 4.481 0.130) 4.555 4.549 ( 2.413 2.294 -12.690) 13.119 4.863 ( 0.780 -2.891 -5.390) 6.166 5.205 ( -1.658 -3.588 -4.350) 5.877 5.390 ( -2.957 -1.682 -0.620) 3.458 5.792 ( -4.175 -1.105 -1.182) 4.478 6.048 ( 2.564 -8.271 3.620) 9.385 6.315 ( -6.009 0.983 -5.185) 7.997 7.084 ( 3.365 6.047 6.137) 9.249 7.564 ( 1.496 -3.629 -4.363) 5.869 8.047 ( 2.403 1.540 -2.257) 3.639 8.311 ( -2.459 1.572 -4.954) 5.750 8.522 ( 0.652 5.456 -1.748) 5.766 8.857 ( -1.381 -2.336 4.712) 5.437 9.193 ( -7.080 -15.738 5.331) 18.062 9.736 ( 2.200 -5.796 5.880) 8.544 9.885 ( -4.140 0.681 4.787) 6.365 11.157 ( 2.766 6.657 -4.337) 8.413 11.595 ( 8.535 12.592 -7.700) 17.049 12.712 ( -2.478 -3.795 -18.386) 18.936 14.080 ( 1.525 2.585 1.475) 3.344 ======================= Grid point 351 (77/146) ======================= q-point: ( 0.30 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 1.095 -1.154 -7.866) 8.025 1.645 ( 0.376 -0.817 2.799) 2.940 2.039 ( 1.836 3.004 12.450) 12.938 2.487 ( -5.990 -2.442 13.979) 15.403 2.857 ( -0.724 -10.162 17.052) 19.863 3.501 ( -1.120 -2.375 26.046) 26.178 4.239 ( -1.469 5.946 0.060) 6.125 4.614 ( 3.822 0.783 -11.293) 11.948 4.833 ( -0.272 -5.334 -5.405) 7.598 5.149 ( -1.315 -0.813 -2.564) 2.994 5.401 ( 1.602 4.094 -1.944) 4.807 5.690 ( -6.143 -1.841 -0.901) 6.476 5.978 ( -4.386 -0.743 -1.472) 4.686 6.305 ( 4.886 -3.628 -2.697) 6.657 7.181 ( 1.765 4.581 5.936) 7.703 7.555 ( 0.817 -2.609 -1.918) 3.339 8.083 ( -0.263 1.978 -1.501) 2.497 8.313 ( 1.403 1.057 -3.493) 3.910 8.570 ( -1.640 4.618 -1.683) 5.182 8.782 ( -0.717 -6.820 4.442) 8.170 8.961 ( -5.504 -8.477 3.422) 10.670 9.701 ( -1.595 -0.475 5.621) 5.862 9.887 ( 3.803 -3.770 4.376) 6.915 11.228 ( -1.568 6.967 -4.995) 8.715 11.851 ( 5.459 13.139 -9.742) 17.244 12.618 ( -1.405 -7.780 -17.491) 19.195 14.113 ( 0.896 0.318 3.100) 3.242 ======================= Grid point 352 (78/146) ======================= q-point: ( 0.40 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -2.256 -0.233 -9.642) 9.906 1.653 ( 2.142 -2.034 0.178) 2.960 2.116 ( 2.697 0.663 11.710) 12.035 2.393 ( -1.258 0.256 18.694) 18.738 2.798 ( 3.117 -6.659 13.897) 15.722 3.481 ( 0.307 -0.490 27.443) 27.450 4.255 ( -3.291 5.955 0.138) 6.805 4.688 ( 3.953 -1.752 -11.092) 11.905 4.759 ( -1.091 -4.439 -4.916) 6.713 5.142 ( 0.162 0.342 -2.542) 2.570 5.458 ( -2.868 3.503 -2.612) 5.227 5.608 ( 0.133 2.369 -0.676) 2.468 5.923 ( -2.361 1.566 -3.852) 4.782 6.352 ( 5.371 -6.363 -1.488) 8.458 7.225 ( -0.366 1.673 5.982) 6.223 7.533 ( -1.376 -0.807 -0.584) 1.699 8.084 ( -1.796 2.359 -2.123) 3.646 8.361 ( 2.562 -0.899 -0.098) 2.717 8.551 ( -1.281 1.922 -1.885) 2.981 8.763 ( 2.518 -3.134 0.222) 4.026 8.854 ( 0.274 -2.763 4.720) 5.476 9.679 ( -1.222 0.695 5.425) 5.604 9.908 ( 3.634 -5.324 4.439) 7.827 11.250 ( -3.313 6.153 -5.128) 8.668 11.970 ( -6.589 10.629 -10.739) 16.484 12.558 ( 5.066 -8.382 -17.026) 19.642 14.121 ( 0.372 -0.665 3.769) 3.845 ======================= Grid point 354 (79/146) ======================= q-point: (-0.50 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -1.245 2.420 -8.847) 9.256 1.662 ( 0.862 -2.081 1.562) 2.741 2.080 ( -2.927 -3.909 11.244) 12.259 2.498 ( 7.857 3.813 19.512) 21.377 2.832 ( 7.203 -2.908 14.172) 16.161 3.500 ( 2.396 -0.084 26.227) 26.337 4.245 ( -3.729 3.771 0.345) 5.315 4.627 ( -3.522 -4.292 -10.431) 11.816 4.800 ( 3.990 0.815 -7.224) 8.293 5.155 ( 1.493 0.059 -2.694) 3.081 5.399 ( -3.148 0.320 -1.519) 3.510 5.716 ( 5.454 3.650 -0.729) 6.603 5.934 ( 0.556 4.646 -1.901) 5.050 6.349 ( 3.073 -8.441 -2.875) 9.431 7.190 ( -4.743 -0.112 7.223) 8.642 7.517 ( 0.060 1.395 -2.496) 2.860 8.072 ( -2.248 1.999 -2.697) 4.040 8.347 ( -0.243 -3.677 -2.594) 4.506 8.588 ( -1.392 2.363 0.221) 2.752 8.777 ( 5.684 -2.401 1.129) 6.273 8.943 ( 9.325 2.007 4.919) 10.732 9.677 ( -0.472 2.545 5.410) 5.997 9.904 ( 2.560 -5.964 4.602) 7.956 11.234 ( -4.781 4.302 -4.867) 8.065 11.841 ( -14.626 2.628 -9.970) 17.895 12.622 ( 7.534 -2.968 -17.401) 19.193 14.113 ( -0.740 -0.592 3.111) 3.252 ======================= Grid point 362 (80/146) ======================= q-point: ( 0.30 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.731 -0.047 -11.885) 11.907 1.625 ( -0.918 -0.987 1.691) 2.163 2.111 ( 0.941 3.254 9.372) 9.965 2.401 ( -2.411 -4.803 23.461) 24.069 2.729 ( -1.359 -2.759 11.397) 11.804 3.478 ( -0.235 -0.366 28.481) 28.484 4.327 ( 1.544 2.699 0.761) 3.201 4.638 ( 0.100 1.538 -11.265) 11.370 4.734 ( -1.376 -4.000 -4.981) 6.535 5.146 ( -0.012 0.133 -3.711) 3.714 5.496 ( 3.729 5.344 -2.864) 7.118 5.628 ( -3.577 -4.473 -0.779) 5.780 5.963 ( 0.675 -0.325 -2.707) 2.809 6.262 ( -1.403 -1.147 -3.316) 3.779 7.238 ( 0.538 1.216 6.290) 6.429 7.535 ( 0.620 0.194 0.405) 0.765 8.115 ( 0.771 1.046 -1.335) 1.863 8.337 ( -0.048 1.032 0.285) 1.072 8.583 ( -1.421 -3.037 -1.245) 3.577 8.715 ( 0.176 1.322 -0.850) 1.581 8.836 ( -2.029 -4.395 3.870) 6.198 9.690 ( 0.106 -0.304 5.847) 5.856 9.853 ( -0.546 -0.569 4.129) 4.204 11.306 ( 0.918 1.698 -5.105) 5.458 12.122 ( 7.831 13.222 -12.726) 19.952 12.434 ( -6.159 -10.431 -15.697) 19.828 14.114 ( -0.055 -0.101 4.218) 4.219 ======================= Grid point 436 (81/146) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 0.000 10.956) 10.956 1.869 ( 0.000 -0.000 21.237) 21.237 2.092 ( 0.000 -0.000 4.707) 4.707 3.362 ( 0.000 0.000 -4.628) 4.628 3.427 ( 0.000 -0.000 23.001) 23.001 3.756 ( 0.000 -0.000 -22.887) 22.887 4.210 ( 0.000 0.000 28.790) 28.790 4.349 ( 0.000 -0.000 -11.993) 11.993 4.873 ( 0.000 -0.000 -19.707) 19.707 5.353 ( 0.000 0.000 17.742) 17.742 5.776 ( 0.000 -0.000 -7.359) 7.359 5.869 ( 0.000 0.000 -8.064) 8.064 6.355 ( 0.000 0.000 0.702) 0.702 6.418 ( 0.000 0.000 -0.279) 0.279 7.252 ( 0.000 0.000 -8.926) 8.926 7.730 ( 0.000 0.000 -2.840) 2.840 7.884 ( 0.000 -0.000 0.811) 0.811 8.051 ( 0.000 0.000 -2.213) 2.213 8.314 ( 0.000 -0.000 -0.162) 0.162 8.331 ( -0.000 0.000 -1.122) 1.122 9.972 ( 0.000 -0.000 5.660) 5.660 10.070 ( 0.000 0.000 3.793) 3.793 10.601 ( 0.000 0.000 8.604) 8.604 10.949 ( 0.000 -0.000 -1.977) 1.977 10.964 ( 0.000 0.000 -1.823) 1.823 12.206 ( 0.000 -0.000 -17.282) 17.282 13.661 ( 0.000 0.000 -2.735) 2.735 ======================= Grid point 437 (82/146) ======================= q-point: ( 0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.658 0.380 10.065) 10.094 1.869 ( -0.121 -0.070 20.395) 20.396 2.101 ( 0.985 0.569 4.768) 4.902 3.167 ( -10.824 -6.249 6.136) 13.923 3.596 ( 8.151 4.706 9.963) 13.705 3.776 ( 1.530 0.883 -18.837) 18.920 4.157 ( -4.449 -2.569 22.297) 22.882 4.340 ( -0.526 -0.304 -7.561) 7.585 4.885 ( 0.982 0.567 -17.185) 17.222 5.302 ( -3.522 -2.033 14.350) 14.915 5.726 ( -5.086 -2.937 -4.774) 7.569 5.822 ( -3.488 -2.014 -6.296) 7.474 6.347 ( -1.515 -0.875 -0.829) 1.936 6.436 ( 1.304 0.753 -1.038) 1.829 7.179 ( -8.023 -4.632 -1.068) 9.325 7.530 ( -5.374 -3.102 -7.035) 9.380 7.951 ( 2.469 1.425 -0.073) 2.852 8.157 ( 4.659 2.690 -1.811) 5.677 8.262 ( -2.742 -1.583 -0.783) 3.262 8.530 ( 13.749 7.938 -0.419) 15.881 9.923 ( -4.651 -2.685 6.347) 8.314 10.034 ( -1.699 -0.981 4.258) 4.689 10.671 ( 3.560 2.055 3.912) 5.675 10.731 ( -16.304 -9.413 2.035) 18.935 11.017 ( 5.349 3.088 -2.435) 6.639 12.276 ( 4.522 2.611 -18.359) 19.087 13.733 ( 5.965 3.444 -2.653) 7.381 ======================= Grid point 438 (83/146) ======================= q-point: ( 0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.653 0.377 7.664) 7.701 1.863 ( -0.339 -0.196 17.751) 17.755 2.140 ( 2.379 1.374 5.753) 6.375 2.918 ( -11.187 -6.459 5.385) 13.995 3.681 ( -2.570 -1.484 -0.388) 2.993 3.850 ( 5.540 3.199 2.118) 6.739 4.065 ( -2.224 -1.284 10.668) 10.973 4.326 ( -0.633 -0.365 -4.021) 4.087 4.906 ( 0.712 0.411 -13.238) 13.264 5.222 ( -3.475 -2.007 8.267) 9.189 5.568 ( -8.278 -4.779 -1.026) 9.614 5.734 ( -4.145 -2.393 -4.572) 6.619 6.246 ( -8.001 -4.620 -2.003) 9.454 6.460 ( 0.865 0.499 -0.619) 1.175 7.014 ( -3.362 -1.941 4.080) 5.632 7.522 ( 2.041 1.178 -8.317) 8.644 8.006 ( 2.496 1.441 0.142) 2.886 8.201 ( -2.367 -1.367 -2.135) 3.468 8.247 ( 3.764 2.173 -1.623) 4.639 8.817 ( 10.596 6.117 2.242) 12.439 9.791 ( -7.111 -4.106 6.511) 10.479 9.970 ( -6.277 -3.624 5.497) 9.097 10.329 ( -13.706 -7.913 -0.402) 15.831 10.763 ( 2.961 1.709 3.514) 4.903 11.191 ( 9.486 5.477 -3.729) 11.571 12.353 ( 2.025 1.169 -19.440) 19.580 13.893 ( 7.577 4.375 -2.208) 9.024 ======================= Grid point 439 (84/146) ======================= q-point: ( 0.30 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.650 -0.375 4.015) 4.085 1.845 ( -1.796 -1.037 13.251) 13.412 2.204 ( 3.490 2.015 7.900) 8.869 2.695 ( -7.942 -4.585 5.358) 10.622 3.534 ( -8.857 -5.114 5.391) 11.561 3.940 ( 1.568 0.905 10.023) 10.186 4.093 ( 3.945 2.278 6.864) 8.238 4.327 ( 1.390 0.802 -7.513) 7.682 4.907 ( -1.090 -0.629 -11.790) 11.857 5.150 ( -2.665 -1.539 4.003) 5.049 5.392 ( -6.918 -3.994 -0.330) 7.995 5.652 ( -2.862 -1.652 -3.896) 5.109 6.019 ( -11.169 -6.448 -2.031) 13.055 6.490 ( 1.998 1.153 0.311) 2.328 7.038 ( 4.220 2.436 3.955) 6.276 7.566 ( 1.454 0.839 -5.615) 5.861 8.047 ( 0.512 0.295 1.741) 1.838 8.173 ( 0.576 0.332 -5.284) 5.325 8.334 ( 3.971 2.293 -0.664) 4.633 8.977 ( 3.739 2.159 5.349) 6.874 9.534 ( -16.244 -9.379 6.960) 20.007 9.801 ( -4.727 -2.729 4.491) 7.069 10.205 ( -0.436 -0.252 0.654) 0.825 10.816 ( 2.011 1.161 0.322) 2.345 11.402 ( 8.738 5.045 -5.996) 11.737 12.369 ( -0.285 -0.165 -19.421) 19.424 14.045 ( 5.723 3.304 -1.217) 6.719 ======================= Grid point 440 (85/146) ======================= q-point: ( 0.40 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -3.380 -1.952 1.009) 4.032 1.769 ( -4.386 -2.532 5.999) 7.851 2.310 ( 6.056 3.497 10.275) 12.429 2.590 ( -1.504 -0.868 9.105) 9.269 3.338 ( -7.946 -4.588 8.040) 12.199 3.946 ( -0.402 -0.232 14.171) 14.178 4.161 ( 1.395 0.806 8.715) 8.863 4.414 ( 6.170 3.563 -10.431) 12.632 4.829 ( -5.937 -3.428 -9.881) 12.026 5.138 ( 2.122 1.225 0.841) 2.591 5.265 ( -4.704 -2.716 -2.739) 6.083 5.611 ( -1.275 -0.736 -1.995) 2.479 5.793 ( -7.918 -4.572 -5.138) 10.488 6.541 ( 2.248 1.298 0.309) 2.614 7.154 ( 5.447 3.145 4.141) 7.530 7.574 ( -1.017 -0.587 -2.721) 2.964 8.027 ( -1.746 -1.008 0.794) 2.167 8.233 ( 4.295 2.480 -4.795) 6.899 8.417 ( 3.200 1.847 -0.039) 3.695 8.993 ( -2.334 -1.347 4.869) 5.565 9.198 ( -11.230 -6.484 9.317) 15.967 9.746 ( -1.212 -0.700 3.292) 3.577 10.219 ( 1.015 0.586 1.773) 2.126 10.855 ( 1.461 0.843 -1.914) 2.551 11.557 ( 4.771 2.755 -8.259) 9.928 12.354 ( -0.731 -0.422 -18.723) 18.742 14.141 ( 2.863 1.653 -0.197) 3.312 ======================= Grid point 441 (86/146) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -5.123 -2.958 0.857) 5.977 1.705 ( -0.616 -0.356 0.646) 0.961 2.406 ( 0.088 0.051 6.909) 6.910 2.653 ( 8.290 4.786 18.134) 20.506 3.207 ( -3.414 -1.971 7.006) 8.039 3.940 ( 0.134 0.077 16.536) 16.537 4.169 ( -0.249 -0.144 5.806) 5.813 4.554 ( 4.441 2.564 -7.434) 9.031 4.672 ( -6.740 -3.891 -9.319) 12.142 5.163 ( -3.795 -2.191 -3.515) 5.618 5.250 ( 7.123 4.112 -2.731) 8.666 5.545 ( -4.188 -2.418 1.917) 5.202 5.730 ( 1.824 1.053 -9.004) 9.247 6.579 ( 1.099 0.634 -0.473) 1.354 7.257 ( 3.379 1.951 4.397) 5.878 7.510 ( -4.662 -2.692 -0.839) 5.448 7.983 ( -2.020 -1.166 -0.532) 2.392 8.347 ( 5.239 3.025 -4.134) 7.327 8.463 ( 0.693 0.400 0.461) 0.924 8.901 ( -2.783 -1.607 3.451) 4.715 9.093 ( 0.229 0.132 10.997) 11.000 9.721 ( -1.277 -0.738 3.039) 3.378 10.238 ( 0.684 0.395 2.497) 2.619 10.879 ( 0.586 0.339 -2.817) 2.897 11.602 ( -0.868 -0.501 -9.337) 9.391 12.348 ( 0.345 0.199 -18.225) 18.230 14.172 ( -0.010 -0.006 0.228) 0.228 ======================= Grid point 443 (87/146) ======================= q-point: (-0.40 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.291 -0.168 0.952) 1.009 1.735 ( 2.785 1.608 1.929) 3.750 2.331 ( -5.383 -3.108 8.894) 10.851 2.898 ( 11.432 6.601 17.214) 21.693 3.190 ( 2.080 1.201 6.404) 6.839 3.960 ( 1.719 0.993 15.944) 16.068 4.159 ( -0.498 -0.287 3.577) 3.623 4.443 ( -9.291 -5.364 -10.463) 14.986 4.691 ( 3.655 2.110 -4.602) 6.244 5.092 ( -2.121 -1.224 -5.952) 6.436 5.471 ( 12.382 7.149 -2.006) 14.438 5.481 ( -1.057 -0.610 -0.067) 1.222 5.805 ( 4.048 2.337 -5.327) 7.087 6.588 ( -0.333 -0.192 -1.399) 1.451 7.262 ( -4.434 -2.560 8.077) 9.563 7.416 ( -1.569 -0.906 -4.005) 4.396 7.942 ( -1.629 -0.941 -1.850) 2.639 8.406 ( -0.648 -0.374 -4.172) 4.238 8.457 ( -0.845 -0.488 0.414) 1.060 8.953 ( 5.903 3.408 5.427) 8.713 9.158 ( 6.102 3.523 8.385) 10.952 9.693 ( -0.710 -0.410 3.573) 3.666 10.252 ( 0.642 0.371 2.725) 2.824 10.879 ( -0.579 -0.334 -2.156) 2.257 11.523 ( -5.871 -3.390 -8.490) 10.865 12.366 ( 1.000 0.577 -18.604) 18.639 14.140 ( -2.874 -1.659 -0.179) 3.324 ======================= Grid point 444 (88/146) ======================= q-point: (-0.30 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 4.152 2.397 2.296) 5.316 1.807 ( 3.178 1.835 8.226) 9.007 2.206 ( -5.254 -3.033 9.274) 11.082 3.066 ( 3.381 1.952 8.023) 8.923 3.328 ( 9.407 5.431 11.497) 15.817 3.999 ( 0.574 0.331 12.404) 12.422 4.162 ( 1.372 0.792 -0.683) 1.726 4.244 ( -7.501 -4.330 -7.121) 11.212 4.767 ( 3.560 2.056 -2.226) 4.675 5.074 ( 0.438 0.253 -7.635) 7.652 5.504 ( 3.155 1.821 -1.961) 4.137 5.778 ( 13.567 7.833 -1.272) 15.717 5.891 ( 4.177 2.412 -1.460) 5.039 6.566 ( -1.668 -0.963 -2.175) 2.906 7.121 ( -5.752 -3.321 8.332) 10.655 7.420 ( 0.507 0.293 -6.051) 6.080 7.911 ( -1.099 -0.634 -2.196) 2.536 8.355 ( -3.203 -1.849 -3.117) 4.837 8.427 ( -1.643 -0.949 -0.949) 2.121 8.984 ( -4.394 -2.537 5.689) 7.623 9.429 ( 16.685 9.633 4.527) 19.791 9.721 ( 3.759 2.170 5.957) 7.371 10.280 ( 2.450 1.414 2.549) 3.808 10.853 ( -1.827 -1.055 -0.232) 2.122 11.355 ( -8.834 -5.100 -6.324) 12.002 12.381 ( 0.069 0.040 -19.289) 19.290 14.044 ( -5.716 -3.300 -1.195) 6.708 ======================= Grid point 445 (89/146) ======================= q-point: (-0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.297 1.904 6.150) 7.233 1.860 ( 1.329 0.767 15.833) 15.907 2.119 ( -2.295 -1.325 6.525) 7.043 3.122 ( 2.829 1.633 5.964) 6.800 3.508 ( 5.308 3.064 8.636) 10.590 3.928 ( -6.181 -3.569 -6.664) 9.765 4.153 ( -0.493 -0.285 15.454) 15.465 4.238 ( 4.397 2.539 -7.106) 8.733 4.849 ( 3.062 1.768 -6.173) 7.114 5.122 ( 4.572 2.640 -1.517) 5.493 5.613 ( 6.137 3.543 -4.367) 8.324 5.881 ( -0.737 -0.426 1.130) 1.415 6.134 ( 12.765 7.370 -2.615) 14.970 6.511 ( -3.201 -1.848 -1.957) 4.182 7.078 ( 2.816 1.626 7.648) 8.311 7.424 ( 0.227 0.131 -9.268) 9.272 7.896 ( -0.218 -0.126 -1.302) 1.326 8.278 ( -3.537 -2.042 -2.716) 4.905 8.390 ( -1.639 -0.947 -1.309) 2.301 8.786 ( -12.567 -7.256 2.126) 14.666 9.761 ( 10.526 6.077 5.010) 13.147 9.868 ( 8.605 4.968 6.479) 11.861 10.412 ( 11.005 6.354 1.872) 12.844 10.794 ( -3.637 -2.100 2.604) 4.941 11.151 ( -8.823 -5.094 -4.012) 10.949 12.358 ( -2.303 -1.329 -19.374) 19.556 13.892 ( -7.565 -4.368 -2.196) 9.007 ======================= Grid point 446 (90/146) ======================= q-point: (-0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.686 0.396 9.781) 9.813 1.870 ( -0.034 -0.020 20.326) 20.326 2.095 ( -0.285 -0.165 4.678) 4.689 3.219 ( 6.097 3.520 5.889) 9.178 3.538 ( -2.746 -1.585 9.765) 10.267 3.798 ( -4.230 -2.442 -18.288) 18.929 4.179 ( 2.022 1.167 25.318) 25.425 4.322 ( 2.611 1.507 -10.219) 10.654 4.879 ( -0.087 -0.050 -16.309) 16.309 5.269 ( 6.934 4.004 12.058) 14.474 5.742 ( 4.148 2.395 -6.396) 7.991 5.850 ( -0.527 -0.304 -3.337) 3.392 6.329 ( 4.095 2.364 -1.226) 4.885 6.441 ( -2.389 -1.379 -0.989) 2.930 7.206 ( 5.212 3.009 -0.461) 6.036 7.496 ( 8.947 5.166 -6.984) 12.470 7.902 ( 0.549 0.317 -0.229) 0.674 8.191 ( -5.174 -2.987 -2.591) 6.513 8.350 ( -2.202 -1.271 -0.505) 2.593 8.473 ( -13.174 -7.606 -0.332) 15.216 9.926 ( 4.736 2.734 6.245) 8.301 10.010 ( 4.339 2.505 4.442) 6.696 10.684 ( -5.814 -3.357 6.453) 9.312 10.749 ( 15.925 9.194 -0.402) 18.393 10.999 ( -4.270 -2.465 -2.489) 5.523 12.277 ( -4.641 -2.679 -18.346) 19.113 13.733 ( -5.963 -3.443 -2.651) 7.378 ======================= Grid point 448 (91/146) ======================= q-point: ( 0.10 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 1.352 -1.999 7.868) 8.229 1.866 ( -0.322 -0.488 18.080) 18.090 2.115 ( 1.590 1.088 5.550) 5.875 3.058 ( -10.365 -4.316 5.873) 12.671 3.609 ( 5.168 -3.935 5.745) 8.671 3.861 ( 0.641 7.008 -8.290) 10.875 4.113 ( -4.164 -1.257 15.189) 15.800 4.304 ( 1.361 -3.153 -4.735) 5.849 4.881 ( 0.902 -1.721 -11.432) 11.596 5.191 ( 0.215 -7.315 5.348) 9.064 5.632 ( -5.617 -6.789 -3.559) 9.503 5.825 ( -4.525 2.166 -1.203) 5.159 6.289 ( 1.983 -6.968 -3.829) 8.194 6.421 ( -4.605 -1.475 0.074) 4.836 7.085 ( -4.808 -2.859 5.196) 7.634 7.465 ( 3.145 -2.235 -9.202) 9.978 7.936 ( 4.137 -0.956 -0.575) 4.285 8.231 ( -1.075 2.430 -2.275) 3.498 8.317 ( -4.053 5.809 -1.284) 7.199 8.729 ( 8.948 11.704 1.330) 14.793 9.809 ( -4.282 -9.009 6.376) 11.839 9.994 ( 2.543 -3.719 4.644) 6.470 10.383 ( -14.495 -18.521 2.236) 23.625 10.836 ( 2.754 8.347 3.049) 9.304 11.092 ( 5.640 5.669 -3.664) 8.796 12.339 ( 1.472 2.910 -19.216) 19.491 13.847 ( 4.374 7.567 -2.377) 9.058 ======================= Grid point 449 (92/146) ======================= q-point: ( 0.20 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 1.679 -3.230 4.939) 6.135 1.850 ( -0.559 -1.688 14.225) 14.336 2.164 ( 2.614 1.479 7.417) 8.002 2.836 ( -11.506 -1.880 5.220) 12.774 3.564 ( -2.655 -9.439 6.736) 11.896 3.938 ( 0.819 3.954 6.984) 8.068 4.086 ( 0.617 3.986 4.166) 5.799 4.303 ( 1.521 -1.590 -4.782) 5.264 4.869 ( 1.256 -4.635 -7.969) 9.304 5.142 ( 0.180 -4.097 -1.000) 4.221 5.458 ( -6.688 -5.961 -0.688) 8.985 5.754 ( -6.310 2.527 -1.150) 6.894 6.178 ( -12.232 -1.954 -3.361) 12.836 6.350 ( 6.920 -10.372 0.544) 12.480 7.067 ( -0.353 6.623 5.022) 8.320 7.511 ( 3.946 -1.807 -6.628) 7.922 8.004 ( 4.192 -0.344 -0.447) 4.230 8.202 ( -2.814 1.209 -2.522) 3.967 8.355 ( -0.192 7.144 -1.669) 7.339 8.931 ( 5.041 4.895 4.426) 8.304 9.609 ( -7.721 -14.176 5.570) 17.076 9.940 ( -11.772 -0.514 5.422) 12.971 10.074 ( 4.520 -13.507 2.246) 14.419 10.920 ( -3.015 10.676 0.094) 11.094 11.290 ( 10.167 5.524 -5.326) 12.738 12.364 ( 0.085 -0.326 -19.423) 19.426 13.995 ( 4.987 5.610 -1.569) 7.669 ======================= Grid point 450 (93/146) ======================= q-point: ( 0.30 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.252 -4.125 1.725) 4.478 1.800 ( -2.621 -3.644 8.718) 9.805 2.234 ( 4.468 1.324 9.656) 10.722 2.673 ( -7.090 1.753 6.880) 10.034 3.388 ( -5.851 -9.674 9.850) 14.995 3.957 ( -0.538 0.848 13.572) 13.609 4.164 ( 1.143 4.580 6.454) 7.996 4.347 ( 4.703 1.462 -10.264) 11.384 4.829 ( -0.146 -6.294 -8.282) 10.403 5.109 ( -0.094 -2.553 -2.396) 3.503 5.329 ( -3.838 -1.528 -1.897) 4.545 5.674 ( -5.303 1.420 -1.418) 5.670 5.936 ( -12.752 -1.384 -3.037) 13.182 6.406 ( 9.089 -7.913 -0.180) 12.053 7.156 ( 1.490 8.035 4.617) 9.387 7.550 ( 2.504 -1.830 -3.484) 4.665 8.044 ( 0.118 0.176 0.294) 0.362 8.203 ( 1.656 2.359 -3.464) 4.506 8.425 ( 0.434 6.203 -1.035) 6.304 8.988 ( 0.291 -1.892 5.852) 6.157 9.290 ( -10.920 -14.179 6.177) 18.932 9.796 ( -4.716 0.902 4.278) 6.431 10.094 ( 6.926 -7.873 2.892) 10.878 10.960 ( -4.194 10.444 -2.190) 11.465 11.498 ( 7.370 5.673 -7.668) 12.054 12.344 ( -0.393 -2.697 -18.828) 19.024 14.108 ( 3.437 2.959 -0.444) 4.556 ======================= Grid point 451 (94/146) ======================= q-point: ( 0.40 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.899 -4.453 0.433) 5.332 1.716 ( -2.249 -2.634 2.769) 4.435 2.336 ( 6.007 -0.626 9.207) 11.011 2.642 ( -0.428 5.320 12.876) 13.938 3.219 ( -3.478 -7.597 9.875) 12.936 3.954 ( -0.654 1.239 17.173) 17.230 4.189 ( -1.354 2.246 4.951) 5.603 4.475 ( 6.896 2.344 -8.761) 11.393 4.730 ( -4.559 -5.700 -8.519) 11.218 5.102 ( 2.563 -3.699 -3.427) 5.656 5.293 ( -2.125 3.799 -4.460) 6.232 5.602 ( -3.786 -0.422 1.127) 3.973 5.776 ( -5.980 2.561 -6.274) 9.038 6.474 ( 7.134 -6.989 -0.600) 10.005 7.250 ( 1.681 5.244 3.911) 6.754 7.547 ( -1.493 -1.325 -0.583) 2.079 8.024 ( -2.607 0.919 0.026) 2.764 8.293 ( 4.930 3.418 -3.179) 6.789 8.476 ( -0.312 3.766 0.020) 3.779 8.912 ( -3.112 -7.066 2.795) 8.211 9.076 ( -1.706 -5.575 9.398) 11.060 9.756 ( -2.324 1.388 3.887) 4.736 10.128 ( 5.847 -7.412 3.285) 9.996 10.984 ( -4.509 9.714 -3.503) 11.268 11.621 ( 0.895 4.481 -9.529) 10.568 12.316 ( 1.221 -3.724 -18.001) 18.422 14.165 ( 1.234 0.771 0.346) 1.495 ======================= Grid point 452 (95/146) ======================= q-point: (-0.50 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -2.422 -1.531 0.757) 2.964 1.703 ( 1.973 0.117 0.855) 2.153 2.357 ( -1.136 -3.964 8.063) 9.056 2.776 ( 8.617 6.210 17.204) 20.219 3.146 ( 1.881 -3.829 8.548) 9.553 3.964 ( -0.030 2.103 18.428) 18.547 4.179 ( -1.669 1.488 2.063) 3.042 4.523 ( -4.991 -5.035 -9.014) 11.468 4.645 ( 2.566 0.786 -6.426) 6.964 5.095 ( 0.290 -2.969 -5.204) 5.999 5.334 ( 3.547 1.379 -4.183) 5.655 5.577 ( -1.172 6.701 1.377) 6.941 5.778 ( 1.458 3.649 -6.047) 7.212 6.499 ( 4.664 -8.436 -1.321) 9.730 7.303 ( -0.113 1.965 4.644) 5.044 7.471 ( -5.484 -0.655 -0.262) 5.530 7.985 ( -3.107 1.403 -1.098) 3.582 8.369 ( 1.143 -1.753 -2.753) 3.458 8.510 ( -0.392 4.865 0.304) 4.890 8.859 ( 4.934 -2.673 2.992) 6.359 9.078 ( 4.797 -1.404 8.893) 10.202 9.731 ( -2.383 1.802 3.929) 4.935 10.144 ( 4.977 -7.950 3.588) 10.042 10.995 ( -5.115 9.091 -3.519) 11.009 11.605 ( -5.828 0.897 -9.653) 11.311 12.322 ( 3.145 -2.700 -17.940) 18.412 14.165 ( -1.301 -0.686 0.354) 1.513 ======================= Grid point 453 (96/146) ======================= q-point: (-0.40 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 2.177 2.854 1.261) 3.804 1.764 ( 3.790 1.397 4.853) 6.314 2.261 ( -4.704 -3.598 9.598) 11.278 2.950 ( 7.610 -2.658 10.044) 12.879 3.236 ( 8.814 4.699 12.239) 15.798 3.990 ( 0.839 1.058 17.004) 17.057 4.171 ( -1.144 1.905 -0.549) 2.289 4.340 ( -8.521 -4.916 -9.770) 13.865 4.721 ( 3.950 1.345 -3.691) 5.572 5.076 ( -0.149 -0.107 -7.103) 7.105 5.405 ( 5.828 -2.716 -1.727) 6.658 5.714 ( 6.231 9.958 -1.514) 11.844 5.866 ( 3.363 6.318 -2.187) 7.484 6.471 ( 3.719 -11.255 -1.917) 12.007 7.239 ( -8.007 -0.162 8.270) 11.513 7.422 ( -0.453 1.298 -4.791) 4.984 7.952 ( -2.724 2.007 -2.058) 3.960 8.332 ( -0.355 -5.023 -2.143) 5.472 8.499 ( -4.603 1.959 -1.231) 5.152 8.976 ( 4.701 -0.576 6.156) 7.767 9.227 ( 13.957 3.709 5.063) 15.303 9.731 ( -0.223 4.395 4.771) 6.490 10.146 ( 5.332 -9.135 3.703) 11.207 10.987 ( -6.142 8.543 -2.242) 10.758 11.462 ( -9.404 -2.998 -7.965) 12.684 12.355 ( 2.582 -1.329 -18.715) 18.939 14.108 ( -4.287 -1.485 -0.428) 4.557 ======================= Grid point 454 (97/146) ======================= q-point: (-0.30 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 3.420 3.873 3.893) 6.469 1.835 ( 2.692 1.106 11.902) 12.253 2.161 ( -3.856 -1.258 8.334) 9.269 3.003 ( 6.252 -7.221 5.896) 11.224 3.460 ( 8.425 7.245 10.828) 15.515 3.980 ( -2.720 -2.256 6.840) 7.699 4.138 ( -2.776 -3.373 -0.262) 4.377 4.242 ( -0.011 3.596 -2.988) 4.675 4.808 ( 4.260 2.515 -3.361) 5.981 5.096 ( 1.632 2.008 -6.277) 6.789 5.499 ( 8.017 -1.420 -1.995) 8.383 5.844 ( 3.079 -2.008 0.389) 3.697 6.064 ( 7.873 14.104 -2.371) 16.326 6.425 ( 4.629 -11.550 -1.529) 12.537 7.110 ( -5.673 -0.112 7.443) 9.359 7.438 ( -0.152 2.296 -7.217) 7.575 7.933 ( -2.262 2.810 -1.706) 3.990 8.278 ( -0.424 -4.545 -2.275) 5.100 8.421 ( -4.497 -1.777 -1.707) 5.128 8.928 ( -7.691 -1.926 4.414) 9.075 9.564 ( 17.272 4.240 4.468) 18.337 9.841 ( 5.271 9.989 5.731) 12.665 10.167 ( 10.123 -10.513 3.634) 15.040 10.948 ( -7.504 6.318 0.059) 9.810 11.257 ( -10.046 -3.945 -5.665) 12.189 12.370 ( 0.141 -0.749 -19.361) 19.376 13.994 ( -7.349 -1.495 -1.558) 7.659 ======================= Grid point 459 (98/146) ======================= q-point: ( 0.20 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 2.114 -5.066 1.791) 5.775 1.790 ( -1.045 -4.181 7.906) 9.004 2.212 ( 0.831 3.491 9.595) 10.244 2.829 ( -9.303 0.486 6.509) 11.364 3.341 ( -1.975 -12.961 13.504) 18.822 3.981 ( -1.064 1.024 15.503) 15.573 4.200 ( 1.963 5.634 0.465) 5.984 4.290 ( 2.709 1.868 -9.240) 9.808 4.761 ( 0.355 -5.498 -4.993) 7.435 5.087 ( 0.022 -2.028 -6.661) 6.963 5.366 ( -3.691 -3.149 -1.927) 5.220 5.758 ( -4.297 -2.562 -0.997) 5.101 6.102 ( 6.356 -10.539 0.669) 12.325 6.217 ( -10.255 2.266 -3.542) 11.084 7.217 ( 1.461 7.717 6.436) 10.154 7.474 ( 3.778 -1.418 -4.140) 5.782 8.008 ( 4.095 0.748 -1.508) 4.428 8.241 ( -2.927 2.743 -1.668) 4.345 8.491 ( 0.586 6.654 -1.573) 6.862 8.968 ( -0.914 -2.368 6.071) 6.580 9.288 ( -7.261 -16.853 3.784) 18.737 9.845 ( 2.320 -5.944 4.639) 7.889 9.982 ( -4.940 0.755 4.936) 7.024 11.082 ( 1.656 5.250 -2.507) 6.049 11.436 ( 7.408 9.803 -7.849) 14.581 12.334 ( -1.994 -2.764 -18.687) 18.995 14.092 ( 2.438 4.202 -0.486) 4.882 ======================= Grid point 460 (99/146) ======================= q-point: ( 0.30 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.532 -4.673 0.153) 4.706 1.722 ( -1.987 -3.865 4.287) 6.105 2.261 ( 2.425 1.327 9.445) 9.841 2.733 ( -4.399 4.000 9.807) 11.469 3.175 ( -2.637 -11.772 14.272) 18.688 3.978 ( -0.592 1.294 19.007) 19.060 4.259 ( -1.725 4.975 2.281) 5.739 4.383 ( 5.891 2.175 -10.242) 12.014 4.710 ( -0.380 -5.572 -6.845) 8.834 5.055 ( -0.464 -2.615 -5.921) 6.489 5.332 ( -0.042 1.008 -5.706) 5.794 5.664 ( -4.019 -1.284 -0.340) 4.233 5.958 ( -10.893 1.587 -0.832) 11.039 6.249 ( 9.227 -6.885 -2.555) 11.792 7.286 ( 0.022 4.253 3.698) 5.636 7.532 ( 2.709 0.888 0.323) 2.869 8.065 ( 0.551 1.946 -0.274) 2.041 8.258 ( 2.038 3.384 -1.454) 4.209 8.550 ( -1.919 6.269 -0.628) 6.586 8.861 ( -2.017 -11.353 3.459) 12.039 9.057 ( -4.413 -8.725 5.380) 11.160 9.812 ( -2.132 0.541 5.220) 5.665 9.977 ( 3.711 -3.706 4.619) 6.988 11.129 ( -1.964 6.094 -4.319) 7.724 11.648 ( 4.969 10.030 -10.115) 15.087 12.259 ( -1.239 -6.103 -17.501) 18.576 14.152 ( 1.427 1.609 0.546) 2.219 ======================= Grid point 461 (100/146) ======================= q-point: ( 0.40 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.097 -2.561 -0.062) 2.787 1.678 ( 0.327 -1.222 1.891) 2.275 2.305 ( 2.360 -2.081 7.923) 8.525 2.758 ( 1.058 6.019 14.717) 15.935 3.058 ( 1.390 -8.319 12.928) 15.436 3.986 ( -0.251 1.493 21.027) 21.081 4.255 ( -3.634 4.611 -0.644) 5.907 4.487 ( 3.975 -1.717 -7.453) 8.620 4.639 ( -1.719 -3.034 -6.993) 7.814 5.042 ( 1.724 -2.253 -6.503) 7.095 5.340 ( -0.830 0.865 -8.484) 8.568 5.630 ( -0.491 2.874 2.142) 3.617 5.855 ( -4.544 5.176 -2.596) 7.360 6.309 ( 6.642 -9.275 -2.401) 11.658 7.313 ( 0.392 1.195 2.184) 2.520 7.550 ( -2.556 1.494 2.649) 3.972 8.063 ( -3.150 2.930 0.176) 4.306 8.343 ( 1.952 1.136 -1.284) 2.598 8.550 ( 0.144 3.562 1.493) 3.865 8.764 ( 0.570 -6.664 0.015) 6.688 8.978 ( 3.047 -4.523 6.469) 8.461 9.790 ( -2.032 1.932 5.487) 6.162 9.999 ( 3.775 -5.292 4.643) 7.988 11.144 ( -2.989 5.715 -4.926) 8.115 11.744 ( -5.234 7.972 -11.398) 14.861 12.212 ( 4.167 -6.657 -16.680) 18.436 14.172 ( -0.036 0.055 0.974) 0.976 ======================= Grid point 463 (101/146) ======================= q-point: (-0.50 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.157 1.975 0.414) 2.326 1.711 ( 3.567 0.658 2.946) 4.673 2.282 ( -1.757 -3.133 8.996) 9.686 2.827 ( 3.074 -2.150 11.014) 11.635 3.110 ( 9.456 1.500 14.720) 17.560 3.991 ( -0.175 0.165 20.683) 20.684 4.240 ( -3.254 4.432 -2.076) 5.877 4.413 ( -5.788 -5.717 -8.747) 11.946 4.667 ( 3.951 1.620 -5.667) 7.096 5.057 ( 1.849 -1.039 -6.521) 6.858 5.335 ( 0.524 -0.175 -5.271) 5.300 5.685 ( 3.632 1.695 -1.173) 4.176 5.916 ( 2.127 10.894 -0.240) 11.102 6.287 ( 3.331 -12.097 -3.021) 12.906 7.316 ( -1.550 -0.636 3.850) 4.198 7.489 ( -5.064 2.070 0.791) 5.528 8.032 ( -3.583 2.946 -1.064) 4.759 8.305 ( -2.015 -3.946 -1.133) 4.574 8.596 ( -4.517 1.880 0.013) 4.893 8.813 ( 12.460 -0.615 2.585) 12.740 9.056 ( 8.537 -0.577 5.624) 10.240 9.786 ( -1.094 3.480 5.244) 6.387 9.999 ( 2.787 -6.003 4.796) 8.173 11.137 ( -3.708 4.081 -4.276) 6.978 11.634 ( -11.873 1.781 -10.236) 15.777 12.265 ( 6.033 -2.396 -17.449) 18.618 14.152 ( -2.113 -0.422 0.551) 2.224 ======================= Grid point 471 (102/146) ======================= q-point: ( 0.30 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.059 -1.376 -0.512) 1.470 1.668 ( -0.723 -1.453 2.507) 2.986 2.276 ( -0.260 0.218 7.488) 7.496 2.820 ( 0.403 4.618 13.310) 14.094 2.968 ( -2.832 -8.389 15.664) 17.993 3.998 ( 0.133 0.590 22.036) 22.045 4.339 ( 2.782 2.897 -1.051) 4.152 4.423 ( -1.021 1.140 -8.198) 8.339 4.625 ( -0.508 -2.615 -6.132) 6.686 5.017 ( -0.843 -1.176 -7.939) 8.070 5.348 ( 0.547 0.564 -10.109) 10.140 5.659 ( -0.323 0.402 2.626) 2.676 5.945 ( -0.034 -1.829 0.518) 1.901 6.178 ( -1.426 -1.071 -4.674) 5.003 7.318 ( -0.198 0.060 1.491) 1.506 7.575 ( 1.627 2.120 3.676) 4.545 8.109 ( 1.706 1.952 0.908) 2.747 8.335 ( 1.466 4.201 -0.037) 4.450 8.580 ( -5.066 -6.885 0.662) 8.574 8.710 ( 2.487 1.662 0.274) 3.003 8.925 ( -3.077 -5.005 4.214) 7.230 9.818 ( 0.518 0.244 6.710) 6.735 9.939 ( -0.774 -0.774 4.607) 4.735 11.197 ( 0.725 1.402 -5.432) 5.656 11.861 ( 6.412 10.625 -12.725) 17.775 12.113 ( -5.050 -8.415 -15.602) 18.431 14.172 ( 0.259 0.447 1.258) 1.360 ======================= Grid point 545 (103/146) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 0.000 15.360) 15.360 2.177 ( 0.000 0.000 3.519) 3.519 2.246 ( 0.000 -0.000 14.305) 14.305 3.283 ( 0.000 0.000 -21.546) 21.546 3.288 ( 0.000 0.000 -3.463) 3.463 3.809 ( 0.000 -0.000 14.592) 14.592 4.152 ( 0.000 -0.000 -7.240) 7.240 4.482 ( 0.000 -0.000 -18.173) 18.173 4.692 ( 0.000 0.000 18.345) 18.345 5.641 ( 0.000 0.000 -5.428) 5.428 5.715 ( 0.000 0.000 -6.852) 6.852 5.716 ( 0.000 0.000 17.982) 17.982 6.369 ( 0.000 0.000 0.672) 0.672 6.410 ( 0.000 -0.000 -0.501) 0.501 7.004 ( 0.000 0.000 -14.689) 14.689 7.725 ( 0.000 0.000 1.446) 1.446 7.908 ( 0.000 0.000 1.494) 1.494 8.010 ( 0.000 0.000 -1.849) 1.849 8.317 ( 0.000 0.000 0.235) 0.235 8.319 ( 0.000 -0.000 -0.123) 0.123 10.075 ( -0.000 0.000 4.409) 4.409 10.133 ( 0.000 -0.000 2.374) 2.374 10.796 ( 0.000 -0.000 10.552) 10.552 10.911 ( 0.000 0.000 -1.620) 1.620 10.926 ( 0.000 -0.000 -1.840) 1.840 11.861 ( 0.000 0.000 -16.535) 16.535 13.604 ( 0.000 0.000 -2.584) 2.584 ======================= Grid point 546 (104/146) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.981 -0.566 14.070) 14.115 2.180 ( 0.733 0.423 2.988) 3.106 2.243 ( -0.571 -0.330 15.214) 15.228 3.190 ( -8.378 -4.837 -1.859) 9.851 3.325 ( 3.727 2.152 -20.504) 20.950 3.873 ( 5.063 2.923 11.956) 13.309 4.127 ( -2.224 -1.284 -6.301) 6.804 4.474 ( -0.479 -0.277 -12.281) 12.294 4.677 ( -1.365 -0.788 11.119) 11.230 5.564 ( -4.379 -2.528 6.108) 7.929 5.689 ( -2.051 -1.184 -0.486) 2.417 5.705 ( -3.571 -2.062 1.809) 4.503 6.319 ( -4.332 -2.501 -2.215) 5.471 6.418 ( 1.148 0.663 -0.675) 1.488 7.062 ( 3.295 1.902 -9.413) 10.153 7.465 ( -11.738 -6.777 0.098) 13.555 7.959 ( 1.801 1.040 0.617) 2.169 8.127 ( 4.830 2.788 -1.134) 5.691 8.267 ( -2.647 -1.528 1.013) 3.221 8.526 ( 14.898 8.601 -0.133) 17.203 10.042 ( -3.709 -2.141 5.170) 6.713 10.108 ( -1.030 -0.595 2.969) 3.199 10.630 ( -15.155 -8.750 -3.436) 17.834 10.900 ( -0.480 -0.277 8.504) 8.522 10.981 ( 5.899 3.406 1.015) 6.887 11.908 ( 3.137 1.811 -17.846) 18.210 13.678 ( 6.075 3.508 -2.570) 7.471 ======================= Grid point 547 (105/146) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -2.006 -1.158 10.989) 11.231 2.206 ( -2.086 -1.204 15.664) 15.848 2.227 ( 2.532 1.462 2.311) 3.727 2.965 ( -10.532 -6.080 -0.198) 12.162 3.425 ( 4.347 2.510 -16.277) 17.033 3.997 ( 5.450 3.147 8.433) 10.522 4.070 ( -2.100 -1.212 -3.526) 4.279 4.462 ( -0.713 -0.411 -0.194) 0.845 4.643 ( -1.300 -0.751 -3.425) 3.739 5.443 ( -6.872 -3.968 11.476) 13.952 5.556 ( -8.049 -4.647 0.054) 9.294 5.641 ( -2.933 -1.694 -4.414) 5.564 6.192 ( -7.362 -4.250 -3.177) 9.075 6.444 ( 1.163 0.672 -0.651) 1.492 7.074 ( -0.643 -0.371 1.167) 1.383 7.379 ( 2.899 1.673 -4.863) 5.903 8.006 ( 2.547 1.471 -0.370) 2.964 8.164 ( -2.259 -1.304 -1.198) 2.871 8.253 ( 2.924 1.688 1.647) 3.756 8.861 ( 13.538 7.816 1.871) 15.744 9.915 ( -7.630 -4.405 5.831) 10.565 10.073 ( -4.938 -2.851 4.716) 7.400 10.254 ( -13.382 -7.726 -6.187) 16.645 10.892 ( -0.320 -0.185 7.532) 7.541 11.141 ( 7.625 4.402 0.164) 8.806 11.965 ( 1.768 1.021 -18.854) 18.964 13.843 ( 7.979 4.606 -2.490) 9.544 ======================= Grid point 548 (106/146) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -3.238 -1.869 8.135) 8.953 2.089 ( -8.184 -4.725 8.803) 12.915 2.331 ( 6.057 3.497 5.899) 9.150 2.779 ( -5.103 -2.946 2.772) 6.512 3.477 ( -0.296 -0.171 -7.431) 7.439 4.043 ( 0.916 0.529 -0.216) 1.080 4.135 ( 6.236 3.600 3.281) 7.913 4.437 ( -1.455 -0.840 9.167) 9.319 4.627 ( -0.308 -0.178 -13.007) 13.012 5.274 ( -7.403 -4.274 7.340) 11.267 5.363 ( -8.890 -5.132 -2.844) 10.652 5.580 ( -2.236 -1.291 -3.119) 4.049 5.985 ( -10.676 -6.164 -1.173) 12.384 6.480 ( 2.065 1.192 -0.783) 2.510 7.121 ( 4.540 2.621 3.449) 6.276 7.473 ( 4.273 2.467 -3.050) 5.800 8.072 ( 2.885 1.666 -2.932) 4.438 8.100 ( -2.341 -1.351 1.458) 3.071 8.341 ( 4.312 2.489 1.163) 5.113 9.086 ( 5.949 3.435 5.146) 8.583 9.645 ( -15.686 -9.056 3.357) 18.421 9.881 ( -6.195 -3.577 3.308) 7.881 10.177 ( 0.954 0.551 -2.508) 2.740 10.884 ( -0.390 -0.225 5.973) 5.990 11.294 ( 5.719 3.302 -4.159) 7.804 11.992 ( 0.818 0.472 -17.565) 17.590 14.007 ( 6.369 3.677 -2.224) 7.683 ======================= Grid point 549 (107/146) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.580 -2.067 7.363) 8.445 1.871 ( -9.958 -5.749 2.983) 11.879 2.471 ( 5.456 3.150 6.820) 9.284 2.758 ( 3.215 1.856 5.684) 6.789 3.420 ( -3.957 -2.284 2.237) 5.087 4.067 ( 0.373 0.216 0.181) 0.467 4.298 ( 7.740 4.469 -0.924) 8.986 4.410 ( -0.266 -0.153 12.227) 12.231 4.603 ( -2.796 -1.614 -11.724) 12.160 5.150 ( -3.427 -1.978 -0.869) 4.051 5.181 ( -6.500 -3.753 -4.021) 8.515 5.555 ( 0.333 0.192 -2.768) 2.795 5.752 ( -9.537 -5.506 0.437) 11.021 6.526 ( 1.762 1.017 -1.190) 2.357 7.233 ( 4.688 2.707 2.815) 6.102 7.546 ( 1.853 1.070 0.436) 2.183 8.038 ( -2.345 -1.354 -0.507) 2.755 8.164 ( 4.513 2.606 -1.469) 5.415 8.432 ( 3.599 2.078 1.394) 4.384 9.098 ( -4.767 -2.752 5.342) 7.671 9.369 ( -7.068 -4.081 6.537) 10.457 9.799 ( -1.899 -1.096 2.083) 3.024 10.211 ( 1.689 0.975 -2.264) 2.989 10.877 ( -0.192 -0.111 4.237) 4.243 11.386 ( 2.403 1.387 -8.548) 8.987 12.008 ( 0.654 0.378 -14.929) 14.948 14.116 ( 3.341 1.929 -1.886) 4.294 ======================= Grid point 550 (108/146) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -3.620 -2.090 9.555) 10.429 1.720 ( -2.253 -1.301 0.301) 2.619 2.537 ( 0.475 0.274 6.234) 6.258 2.898 ( 7.711 4.452 3.739) 9.658 3.348 ( -1.293 -0.746 9.646) 9.761 4.048 ( -1.848 -1.067 -2.242) 3.096 4.363 ( -0.597 -0.345 8.211) 8.240 4.476 ( -6.621 -3.822 -8.474) 11.413 4.528 ( 7.195 4.154 4.669) 9.530 5.027 ( -5.586 -3.225 -8.888) 10.982 5.197 ( 5.819 3.360 -2.987) 7.354 5.565 ( -4.329 -2.499 -2.457) 5.570 5.620 ( 2.861 1.652 0.933) 3.433 6.552 ( 0.519 0.300 -1.677) 1.780 7.313 ( 2.355 1.359 0.623) 2.789 7.537 ( -2.791 -1.612 3.824) 5.001 7.984 ( -2.613 -1.508 0.144) 3.020 8.271 ( 4.465 2.578 -3.281) 6.111 8.486 ( 0.900 0.519 1.604) 1.911 8.992 ( -1.603 -0.926 5.019) 5.349 9.299 ( -0.666 -0.384 8.680) 8.714 9.770 ( -1.048 -0.605 1.949) 2.294 10.243 ( 1.113 0.642 -2.090) 2.454 10.879 ( 0.395 0.228 3.260) 3.292 11.402 ( -0.851 -0.491 -10.266) 10.313 12.019 ( 0.328 0.189 -13.685) 13.691 14.154 ( -0.005 -0.003 -1.732) 1.732 ======================= Grid point 552 (109/146) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.379 -0.219 10.883) 10.892 1.776 ( 6.391 3.690 1.862) 7.611 2.501 ( -3.412 -1.970 7.880) 8.810 3.022 ( 2.888 1.668 -4.158) 5.330 3.406 ( 6.007 3.468 13.879) 15.515 3.992 ( -3.175 -1.833 -6.092) 7.110 4.272 ( -7.801 -4.504 -2.815) 9.438 4.368 ( -0.667 -0.385 7.211) 7.252 4.686 ( 5.809 3.354 3.834) 7.726 4.930 ( -2.575 -1.486 -8.909) 9.392 5.398 ( 10.894 6.290 -4.406) 13.329 5.491 ( -0.418 -0.241 0.433) 0.649 5.746 ( 6.917 3.994 -0.453) 8.000 6.548 ( -0.808 -0.466 -2.062) 2.263 7.334 ( -0.848 -0.489 -3.099) 3.250 7.431 ( -5.910 -3.412 7.328) 10.014 7.928 ( -2.173 -1.255 0.265) 2.524 8.325 ( 0.072 0.042 -4.029) 4.030 8.470 ( -2.017 -1.164 0.813) 2.466 9.086 ( 8.797 5.079 7.281) 12.498 9.298 ( 0.389 0.224 5.013) 5.033 9.762 ( 1.108 0.640 3.368) 3.603 10.260 ( 0.564 0.326 -1.946) 2.052 10.893 ( 0.794 0.459 3.907) 4.013 11.352 ( -3.601 -2.079 -8.351) 9.329 12.020 ( -0.312 -0.180 -15.051) 15.055 14.116 ( -3.346 -1.932 -1.881) 4.297 ======================= Grid point 553 (110/146) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.904 2.831 10.325) 11.776 1.953 ( 8.349 4.820 5.932) 11.319 2.403 ( -4.932 -2.847 10.106) 11.600 3.059 ( 1.240 0.716 -6.954) 7.100 3.523 ( 2.120 1.224 3.296) 4.106 3.911 ( -3.217 -1.857 -4.030) 5.480 4.146 ( -2.965 -1.712 -0.976) 3.560 4.374 ( 1.092 0.631 5.345) 5.492 4.751 ( -0.404 -0.233 -1.287) 1.369 4.970 ( 7.090 4.094 0.773) 8.224 5.478 ( 1.768 1.021 -0.542) 2.113 5.722 ( 14.638 8.451 -4.263) 17.431 5.892 ( 5.435 3.138 1.478) 6.447 6.519 ( -1.705 -0.985 -2.183) 2.940 7.251 ( -4.883 -2.819 0.907) 5.711 7.332 ( -3.555 -2.053 0.883) 4.199 7.895 ( -0.713 -0.411 0.543) 0.986 8.293 ( -2.425 -1.400 -3.167) 4.228 8.415 ( -2.514 -1.452 -0.382) 2.928 9.106 ( -8.302 -4.793 5.864) 11.237 9.496 ( 16.867 9.738 2.541) 19.641 9.840 ( 5.620 3.245 5.416) 8.452 10.279 ( 1.589 0.918 -2.473) 3.080 10.909 ( 0.515 0.297 5.623) 5.654 11.245 ( -5.869 -3.388 -4.082) 7.911 12.005 ( -1.009 -0.583 -17.527) 17.566 14.007 ( -6.365 -3.675 -2.219) 7.677 ======================= Grid point 554 (111/146) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.046 3.491 11.130) 13.139 2.105 ( 4.650 2.684 6.847) 8.701 2.306 ( -3.304 -1.907 12.940) 13.491 3.104 ( 3.250 1.876 -7.435) 8.328 3.468 ( -5.544 -3.201 -11.952) 13.558 3.880 ( -0.501 -0.289 7.110) 7.134 4.120 ( 0.123 0.071 -3.337) 3.340 4.414 ( 2.301 1.329 -0.611) 2.727 4.718 ( -1.668 -0.963 0.086) 1.928 5.205 ( 12.890 7.442 7.676) 16.747 5.542 ( 3.736 2.157 -2.441) 4.957 5.930 ( -0.538 -0.311 3.666) 3.718 6.057 ( 12.565 7.254 -5.045) 15.361 6.475 ( -2.303 -1.330 -1.583) 3.095 7.214 ( -1.369 -0.790 4.888) 5.137 7.238 ( -0.454 -0.262 -7.772) 7.790 7.895 ( 0.601 0.347 1.131) 1.327 8.230 ( -3.066 -1.770 -2.154) 4.144 8.368 ( -1.599 -0.923 -1.029) 2.113 8.834 ( -15.075 -8.704 2.411) 17.573 9.859 ( 12.900 7.448 4.955) 15.698 9.986 ( 6.575 3.796 4.928) 9.051 10.376 ( 8.753 5.054 -4.608) 11.108 10.914 ( -0.093 -0.054 7.275) 7.276 11.098 ( -6.979 -4.029 0.397) 8.068 11.972 ( -2.099 -1.212 -18.789) 18.944 13.843 ( -7.973 -4.603 -2.489) 9.537 ======================= Grid point 555 (112/146) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 2.849 1.645 13.943) 14.325 2.163 ( 1.281 0.739 3.481) 3.782 2.259 ( -1.202 -0.694 15.344) 15.407 3.205 ( 5.276 3.046 -6.945) 9.239 3.344 ( -4.643 -2.681 -16.508) 17.357 3.848 ( -2.334 -1.348 12.206) 12.500 4.137 ( 1.064 0.614 -6.315) 6.433 4.463 ( 1.762 1.017 -11.298) 11.479 4.693 ( -0.480 -0.277 10.726) 10.741 5.492 ( 11.451 6.611 7.577) 15.240 5.631 ( 4.026 2.324 -4.108) 6.204 5.841 ( -6.196 -3.577 4.199) 8.296 6.292 ( 7.561 4.365 -2.679) 9.132 6.424 ( -1.871 -1.080 -0.743) 2.285 7.082 ( -6.031 -3.482 -10.236) 12.380 7.448 ( 14.401 8.314 1.193) 16.671 7.914 ( 0.916 0.529 1.296) 1.673 8.150 ( -5.001 -2.887 -1.628) 5.999 8.342 ( -1.003 -0.579 -0.517) 1.269 8.480 ( -14.741 -8.511 0.856) 17.044 10.041 ( 4.116 2.377 4.998) 6.898 10.090 ( 3.149 1.818 3.419) 4.992 10.656 ( 12.838 7.412 -3.815) 15.308 10.907 ( -0.366 -0.211 8.649) 8.659 10.960 ( -4.441 -2.564 1.118) 5.249 11.910 ( -3.285 -1.897 -17.835) 18.234 13.678 ( -6.074 -3.507 -2.570) 7.470 ======================= Grid point 557 (113/146) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.367 -4.984 11.858) 12.868 2.152 ( 0.997 -3.515 6.319) 7.299 2.271 ( -0.625 3.009 12.871) 13.233 3.076 ( -8.120 -5.403 -3.786) 10.463 3.416 ( 1.754 6.275 -16.195) 17.457 3.919 ( 5.060 1.091 8.845) 10.248 4.106 ( -2.113 -0.405 -3.969) 4.515 4.446 ( 0.598 -2.387 -3.478) 4.260 4.681 ( -2.269 1.185 1.552) 2.993 5.353 ( 0.032 -15.498 8.231) 17.549 5.569 ( -2.355 -5.238 -2.351) 6.205 5.836 ( -7.310 6.345 2.693) 10.047 6.200 ( 0.320 -9.375 -5.055) 10.656 6.419 ( -2.280 -1.012 -0.187) 2.501 7.139 ( -2.484 5.183 -1.637) 5.976 7.318 ( 2.451 -5.154 -3.097) 6.493 7.939 ( 3.657 -1.512 0.711) 4.021 8.198 ( 0.029 2.858 -1.173) 3.090 8.302 ( -4.025 3.943 -0.264) 5.640 8.759 ( 10.079 14.302 1.469) 17.558 9.932 ( -4.090 -9.757 5.829) 12.079 10.078 ( 2.255 -3.292 3.451) 5.275 10.361 ( -13.882 -15.243 -3.660) 20.940 10.977 ( -1.718 5.847 9.448) 11.243 11.026 ( 7.489 2.567 -1.688) 8.095 11.955 ( 1.086 2.325 -18.768) 18.943 13.795 ( 4.555 7.886 -2.525) 9.450 ======================= Grid point 558 (114/146) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.054 -5.330 9.453) 10.852 2.102 ( -1.395 -7.619 8.859) 11.768 2.312 ( 1.236 4.888 8.304) 9.715 2.881 ( -9.115 -2.034 -0.659) 9.362 3.493 ( 0.387 3.612 -10.260) 10.884 4.000 ( 4.138 -1.080 2.281) 4.847 4.103 ( 1.424 3.381 1.442) 3.942 4.434 ( 0.390 -1.968 4.806) 5.208 4.649 ( -2.400 0.753 -7.683) 8.084 5.204 ( 0.035 -14.509 4.932) 15.325 5.436 ( -6.472 -6.335 -1.448) 9.172 5.753 ( -9.079 6.017 1.022) 10.940 6.095 ( -6.987 -4.459 -4.194) 9.289 6.362 ( 3.815 -8.546 0.502) 9.373 7.156 ( -1.122 7.881 2.938) 8.485 7.397 ( 6.446 0.656 -3.794) 7.509 7.995 ( 4.201 -1.185 -0.571) 4.402 8.184 ( -3.501 2.500 0.446) 4.325 8.331 ( 1.093 5.630 -0.615) 5.768 9.019 ( 7.222 7.425 3.935) 11.081 9.703 ( -8.432 -17.132 3.621) 19.435 10.019 ( -11.840 -4.891 0.856) 12.838 10.097 ( 3.868 -4.311 1.749) 6.050 10.979 ( -4.650 7.095 5.183) 9.941 11.201 ( 8.907 2.559 -2.667) 9.644 11.981 ( 0.552 0.318 -18.347) 18.358 13.953 ( 5.443 6.205 -2.321) 8.574 ======================= Grid point 559 (115/146) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -1.286 -4.501 8.092) 9.348 1.949 ( -6.769 -8.632 4.820) 11.982 2.403 ( 4.541 2.938 7.813) 9.503 2.779 ( -2.825 2.602 2.943) 4.839 3.474 ( -3.892 -0.639 0.135) 3.947 4.057 ( 2.277 1.438 -0.497) 2.738 4.208 ( 6.510 3.533 0.798) 7.450 4.419 ( -0.502 -0.726 10.191) 10.229 4.614 ( -1.574 -1.723 -11.242) 11.481 5.089 ( 0.582 -10.133 -0.026) 10.149 5.265 ( -6.449 -4.752 -3.937) 8.926 5.666 ( -7.128 4.881 0.366) 8.647 5.888 ( -12.006 -2.138 -1.471) 12.284 6.396 ( 8.585 -8.366 -0.556) 12.000 7.234 ( 0.930 6.735 2.284) 7.172 7.508 ( 4.709 2.124 -0.022) 5.166 8.040 ( 1.576 -0.541 -1.098) 1.995 8.174 ( -0.986 4.569 0.534) 4.705 8.415 ( 2.232 5.177 0.134) 5.640 9.106 ( -0.563 -2.870 5.667) 6.377 9.387 ( -6.804 -15.143 2.856) 16.845 9.868 ( -5.198 1.085 2.668) 5.942 10.131 ( 4.500 -3.696 1.091) 5.924 10.966 ( -4.678 6.753 3.051) 8.763 11.349 ( 5.070 3.279 -6.814) 9.104 11.986 ( 0.857 -1.369 -16.107) 16.188 14.080 ( 3.897 3.616 -1.962) 5.667 ======================= Grid point 560 (116/146) ======================= q-point: ( 0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -2.095 -3.218 8.915) 9.707 1.764 ( -5.728 -4.545 1.300) 7.427 2.491 ( 3.995 -0.843 6.945) 8.056 2.834 ( 4.262 4.831 4.202) 7.691 3.387 ( -3.985 -1.287 8.376) 9.364 4.081 ( -1.359 1.638 -1.175) 2.431 4.345 ( 3.908 0.403 2.552) 4.684 4.434 ( 4.030 1.696 7.390) 8.586 4.543 ( -3.941 -3.541 -8.285) 9.834 5.020 ( 0.333 -6.957 -4.608) 8.352 5.167 ( -1.025 -0.581 -6.862) 6.963 5.630 ( -1.694 3.666 0.829) 4.123 5.698 ( -9.856 2.283 -0.909) 10.157 6.452 ( 6.727 -7.643 -1.264) 10.260 7.299 ( 1.329 2.629 0.655) 3.018 7.573 ( -0.300 2.477 3.383) 4.204 8.032 ( -2.710 1.223 0.249) 2.984 8.242 ( 3.058 4.598 -1.783) 5.803 8.492 ( 1.080 4.190 1.385) 4.544 8.976 ( -3.115 -9.718 3.231) 10.704 9.246 ( 1.335 -7.859 6.722) 10.427 9.826 ( -3.263 3.244 3.100) 5.548 10.169 ( 4.249 -4.084 0.607) 5.924 10.958 ( -3.913 6.688 1.382) 7.871 11.423 ( -0.083 3.111 -9.934) 10.410 11.988 ( 1.771 -2.574 -13.772) 14.122 14.148 ( 1.321 1.236 -1.677) 2.467 ======================= Grid point 561 (117/146) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.965 -0.989 10.959) 11.177 1.721 ( 2.773 1.384 0.593) 3.155 2.509 ( 0.138 -2.726 7.087) 7.595 2.953 ( 4.934 0.408 -0.536) 4.979 3.369 ( 2.276 2.755 14.243) 14.684 4.051 ( -3.864 1.492 -4.707) 6.270 4.332 ( -3.584 -3.718 3.261) 6.107 4.398 ( -4.051 -2.213 0.250) 4.623 4.592 ( 7.330 1.828 2.305) 7.898 4.952 ( -1.944 -3.475 -8.406) 9.301 5.228 ( 7.828 -0.685 -5.729) 9.725 5.606 ( -4.092 5.966 1.207) 7.334 5.704 ( 2.891 6.943 -1.005) 7.588 6.465 ( 4.352 -8.876 -1.741) 10.038 7.330 ( 0.795 0.104 -1.240) 1.477 7.535 ( -6.394 1.391 5.700) 8.678 7.983 ( -4.193 1.407 0.515) 4.452 8.314 ( 1.004 0.950 -2.765) 3.091 8.522 ( -2.412 3.468 0.833) 4.306 8.938 ( 8.580 -4.247 4.359) 10.520 9.236 ( 4.234 -5.044 6.239) 9.072 9.806 ( -2.987 3.685 3.498) 5.894 10.190 ( 3.491 -4.948 0.703) 6.097 10.967 ( -3.030 7.111 1.247) 7.829 11.406 ( -4.186 1.022 -9.806) 10.711 11.994 ( 1.884 -2.593 -13.867) 14.233 14.148 ( -1.739 -0.528 -1.675) 2.471 ======================= Grid point 562 (118/146) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.996 2.840 10.731) 11.279 1.853 ( 8.433 4.128 3.692) 10.089 2.449 ( -3.531 -3.033 8.967) 10.104 2.993 ( 3.192 -4.327 -4.331) 6.905 3.487 ( 5.073 3.821 10.012) 11.856 3.980 ( -5.508 0.515 -7.170) 9.056 4.196 ( -5.348 -2.822 -0.699) 6.087 4.373 ( -0.090 0.911 6.867) 6.928 4.702 ( 4.778 -1.711 0.943) 5.162 4.925 ( 1.623 1.411 -5.720) 6.111 5.359 ( 8.813 -3.115 -2.847) 9.772 5.689 ( 4.188 10.838 -0.813) 11.647 5.845 ( 4.629 7.550 0.015) 8.856 6.432 ( 3.632 -11.078 -1.836) 11.801 7.327 ( -1.223 0.093 -3.757) 3.952 7.403 ( -9.305 -0.166 7.002) 11.647 7.936 ( -3.058 1.960 0.297) 3.645 8.298 ( -1.115 -2.586 -1.593) 3.236 8.473 ( -4.970 0.455 -1.218) 5.137 9.118 ( 6.727 -1.292 7.635) 10.257 9.295 ( 10.819 0.858 1.412) 10.945 9.823 ( 1.023 4.839 4.142) 6.451 10.193 ( 3.452 -6.068 0.822) 7.030 10.990 ( -2.924 7.602 2.884) 8.641 11.310 ( -6.323 -2.400 -6.818) 9.603 11.997 ( 0.872 -1.741 -16.144) 16.261 14.080 ( -5.083 -1.562 -1.958) 5.667 ======================= Grid point 563 (119/146) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 5.242 4.554 10.174) 12.318 2.036 ( 7.525 3.836 7.225) 11.114 2.351 ( -4.456 -2.371 10.705) 11.835 3.009 ( 5.022 -5.414 -5.080) 8.964 3.524 ( -2.983 -1.201 -6.412) 7.173 3.922 ( -2.404 2.980 1.695) 4.187 4.122 ( -1.780 -1.078 -0.659) 2.183 4.399 ( 1.368 1.876 3.490) 4.192 4.711 ( 0.270 -3.271 -3.143) 4.544 5.070 ( 10.638 6.159 3.706) 12.839 5.465 ( 6.817 -0.992 -1.268) 7.004 5.870 ( 5.832 0.128 1.704) 6.078 5.996 ( 4.908 10.569 -3.733) 12.236 6.400 ( 5.011 -8.949 -1.047) 10.310 7.251 ( -6.344 -2.625 6.049) 9.151 7.297 ( -3.461 2.755 -6.208) 7.622 7.922 ( -1.504 2.964 0.477) 3.358 8.248 ( -1.421 -2.787 -0.963) 3.273 8.387 ( -3.892 -2.454 -1.641) 4.885 9.018 ( -11.287 -2.810 4.115) 12.338 9.639 ( 19.887 5.189 3.271) 20.812 9.941 ( 5.839 6.871 3.779) 9.777 10.203 ( 6.679 -7.580 0.081) 10.103 11.009 ( -3.682 7.327 5.593) 9.926 11.159 ( -6.949 -5.054 -3.259) 9.190 11.987 ( -0.651 -0.923 -18.302) 18.337 13.953 ( -8.093 -1.602 -2.319) 8.570 ======================= Grid point 568 (120/146) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 1.261 -5.283 9.790) 11.196 1.927 ( -1.998 -9.728 4.946) 11.094 2.399 ( 0.209 3.829 9.130) 9.902 2.883 ( -6.409 1.578 -1.294) 6.726 3.518 ( -2.075 -2.026 3.097) 4.243 4.013 ( 4.882 3.077 -3.936) 6.985 4.170 ( 2.267 3.605 1.288) 4.449 4.401 ( 1.185 -1.288 6.728) 6.952 4.648 ( -4.145 -1.330 -4.674) 6.387 4.984 ( 1.010 -7.370 -2.412) 7.820 5.313 ( -5.915 -6.191 -3.172) 9.131 5.768 ( -3.783 -4.018 1.716) 5.779 6.059 ( 4.750 -2.622 -3.459) 6.435 6.198 ( -8.101 -4.148 0.531) 9.117 7.299 ( -1.177 4.389 0.100) 4.545 7.438 ( 7.117 5.145 2.159) 9.044 7.990 ( 4.186 0.923 -0.295) 4.297 8.240 ( -2.006 3.089 1.141) 3.855 8.454 ( 1.134 6.775 -2.074) 7.175 9.094 ( -1.431 -2.002 6.100) 6.578 9.335 ( -6.760 -17.582 0.749) 18.852 9.913 ( 0.957 -3.805 1.958) 4.384 10.083 ( -3.417 0.581 4.819) 5.936 11.077 ( -0.515 1.893 2.313) 3.033 11.290 ( 6.404 7.302 -6.338) 11.597 11.972 ( -1.137 -1.192 -16.708) 16.789 14.064 ( 2.894 5.003 -1.967) 6.106 ======================= Grid point 569 (121/146) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.052 -3.732 10.011) 10.684 1.794 ( -3.702 -6.667 2.159) 7.926 2.433 ( 1.559 0.315 8.085) 8.240 2.851 ( -0.754 4.056 1.191) 4.294 3.434 ( -3.709 -3.668 11.347) 12.488 4.114 ( 1.436 4.727 -3.369) 5.980 4.262 ( 5.364 1.899 -0.334) 5.700 4.410 ( 0.838 -0.550 7.405) 7.472 4.566 ( -2.976 -2.505 -5.187) 6.484 4.943 ( 0.760 -5.195 -4.644) 7.009 5.184 ( -3.135 -3.653 -7.700) 9.081 5.688 ( -2.517 -0.235 2.233) 3.373 5.939 ( -13.554 4.793 -1.011) 14.412 6.211 ( 10.741 -9.654 -1.158) 14.488 7.312 ( -0.285 1.240 -0.729) 1.466 7.586 ( 3.392 5.549 4.651) 7.996 8.069 ( 1.974 3.431 0.393) 3.978 8.255 ( 0.250 3.851 0.815) 3.944 8.537 ( 0.150 7.134 -0.603) 7.161 8.921 ( -4.716 -15.095 2.236) 15.972 9.150 ( -1.496 -9.320 3.425) 10.042 9.905 ( -1.471 2.499 3.790) 4.772 10.072 ( 2.132 -2.234 4.604) 5.544 11.071 ( -2.492 3.212 -1.072) 4.204 11.455 ( 3.413 7.893 -8.648) 12.196 11.933 ( -0.113 -4.207 -14.261) 14.869 14.138 ( 1.698 2.280 -1.586) 3.255 ======================= Grid point 570 (122/146) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.492 -1.886 11.123) 11.292 1.710 ( -0.800 -0.993 0.769) 1.489 2.456 ( 2.169 -2.260 7.417) 8.051 2.904 ( 2.058 1.911 -0.000) 2.808 3.366 ( -0.350 -0.842 16.854) 16.878 4.142 ( -3.174 4.664 -3.929) 6.875 4.333 ( 0.507 -1.780 3.909) 4.325 4.406 ( 0.281 -3.141 -2.208) 3.850 4.529 ( 1.135 1.119 0.762) 1.766 4.914 ( 1.414 -3.993 -5.564) 6.993 5.145 ( 1.418 -1.416 -9.818) 10.020 5.681 ( -1.368 3.104 2.666) 4.315 5.822 ( -5.749 8.065 -0.804) 9.937 6.266 ( 7.088 -10.858 -1.709) 13.079 7.318 ( 0.454 -0.100 -1.063) 1.160 7.638 ( -2.583 3.404 5.652) 7.085 8.087 ( -4.368 4.078 1.746) 6.226 8.316 ( 0.991 2.739 -1.448) 3.253 8.593 ( 0.817 5.571 2.404) 6.122 8.763 ( 1.343 -10.469 -0.223) 10.558 9.087 ( 4.902 -8.005 3.895) 10.163 9.899 ( -3.041 3.810 5.139) 7.083 10.090 ( 2.963 -3.707 4.038) 6.231 11.067 ( -1.860 3.705 -2.316) 4.749 11.522 ( -4.605 6.914 -10.163) 13.126 11.909 ( 3.407 -5.370 -12.728) 14.228 14.164 ( -0.254 0.435 -1.421) 1.508 ======================= Grid point 572 (123/146) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.029 1.462 11.289) 11.429 1.763 ( 5.886 2.478 1.700) 6.609 2.451 ( -0.172 -2.621 8.035) 8.453 2.917 ( 0.526 -3.460 -1.414) 3.774 3.426 ( 5.512 2.179 15.149) 16.267 4.099 ( -6.444 2.714 -7.470) 10.232 4.252 ( -4.335 -2.927 0.981) 5.322 4.390 ( -0.591 0.667 5.275) 5.349 4.596 ( 5.032 -1.201 -0.181) 5.177 4.913 ( 1.304 -0.312 -6.902) 7.031 5.203 ( 6.420 -1.204 -6.818) 9.442 5.692 ( 1.411 1.967 1.612) 2.909 5.913 ( 1.778 13.858 -0.077) 13.972 6.236 ( 4.046 -13.910 -1.923) 14.613 7.325 ( 0.429 -0.435 -1.650) 1.760 7.569 ( -8.095 1.559 5.851) 10.109 8.031 ( -5.331 3.068 0.768) 6.199 8.299 ( -1.976 -2.180 0.154) 2.946 8.581 ( -7.018 0.639 -1.368) 7.179 8.875 ( 17.360 -0.484 3.127) 17.646 9.149 ( 7.589 -3.011 3.267) 8.794 9.884 ( -2.513 3.744 4.284) 6.220 10.094 ( 2.117 -4.231 4.335) 6.417 11.079 ( -0.938 3.154 -1.159) 3.489 11.441 ( -9.358 2.086 -8.560) 12.853 11.938 ( 3.859 -2.420 -14.308) 15.016 14.138 ( -2.826 -0.325 -1.585) 3.257 ======================= Grid point 580 (124/146) ======================= q-point: ( 0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -0.240 -1.154 11.611) 11.671 1.710 ( -0.680 -1.907 1.029) 2.271 2.426 ( -0.619 -0.560 7.750) 7.795 2.909 ( 0.000 1.507 -1.551) 2.163 3.361 ( -1.230 -2.624 19.911) 20.120 4.219 ( 2.348 4.440 -5.507) 7.454 4.287 ( 1.270 1.326 0.983) 2.083 4.381 ( -1.000 -2.356 -0.198) 2.567 4.538 ( -0.774 -0.557 1.995) 2.211 4.873 ( -1.038 -2.029 -5.347) 5.813 5.129 ( -1.018 -1.679 -10.752) 10.930 5.716 ( 1.204 2.468 2.845) 3.954 5.966 ( -0.392 -2.671 1.217) 2.961 6.091 ( -1.800 -1.389 -3.526) 4.195 7.314 ( -0.235 -0.281 -1.238) 1.291 7.676 ( 1.751 2.802 6.025) 6.871 8.150 ( 3.023 3.687 2.965) 5.614 8.335 ( 1.670 4.777 -0.261) 5.068 8.588 ( -7.089 -8.988 -0.390) 11.454 8.723 ( 4.170 3.192 1.023) 5.350 8.986 ( -4.370 -7.092 1.597) 8.482 9.951 ( 1.535 1.887 6.090) 6.557 10.040 ( -1.156 -1.241 5.098) 5.373 11.100 ( 0.134 0.362 -3.885) 3.904 11.626 ( 5.168 8.483 -10.042) 14.125 11.826 ( -3.848 -6.338 -12.256) 14.324 14.167 ( 0.424 0.734 -1.303) 1.554 ======================= Grid point 654 (125/146) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.000 -0.000 20.374) 20.374 2.227 ( 0.000 -0.000 1.310) 1.310 2.291 ( 0.000 -0.000 -12.499) 12.499 3.058 ( 0.000 0.000 1.934) 1.934 3.189 ( 0.000 0.000 -6.863) 6.863 4.008 ( 0.000 0.000 5.007) 5.007 4.074 ( 0.000 -0.000 0.117) 0.117 4.180 ( 0.000 0.000 -10.629) 10.629 4.939 ( 0.000 -0.000 6.100) 6.100 5.575 ( 0.000 0.000 -0.900) 0.900 5.605 ( 0.000 0.000 -3.733) 3.733 6.046 ( 0.000 -0.000 12.508) 12.508 6.383 ( 0.000 0.000 0.747) 0.747 6.398 ( 0.000 -0.000 -0.711) 0.711 6.713 ( 0.000 0.000 -11.603) 11.603 7.756 ( 0.000 0.000 1.080) 1.080 7.941 ( 0.000 0.000 1.686) 1.686 7.975 ( 0.000 0.000 -1.694) 1.694 8.320 ( 0.000 -0.000 0.086) 0.086 8.320 ( 0.000 -0.000 0.083) 0.083 10.143 ( 0.000 0.000 2.200) 2.200 10.162 ( 0.000 0.000 0.364) 0.364 10.889 ( 0.000 -0.000 -0.432) 0.432 10.896 ( 0.000 0.000 -1.033) 1.033 11.000 ( 0.000 -0.000 7.977) 7.977 11.573 ( 0.000 0.000 -10.127) 10.127 13.566 ( 0.000 -0.000 -1.055) 1.055 ======================= Grid point 655 (126/146) ======================= q-point: ( 0.10 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.688 -3.284 14.119) 15.571 2.183 ( 0.262 0.151 -3.687) 3.699 2.414 ( 5.669 3.273 1.382) 6.691 3.048 ( -3.055 -1.764 -4.587) 5.787 3.138 ( -1.568 -0.905 -2.685) 3.238 4.042 ( 2.842 1.641 4.222) 5.347 4.068 ( -0.587 -0.339 1.048) 1.248 4.195 ( 1.355 0.782 -10.927) 11.038 4.873 ( -5.103 -2.946 5.232) 7.880 5.576 ( -0.527 -0.304 -0.889) 1.077 5.605 ( -0.581 -0.335 -2.691) 2.774 5.961 ( -8.456 -4.882 13.363) 16.550 6.237 ( -7.452 -4.302 -6.426) 10.739 6.409 ( 1.338 0.772 -0.157) 1.553 6.888 ( 10.317 5.957 -5.567) 13.150 7.483 ( -13.065 -7.543 0.795) 15.107 7.965 ( 0.671 0.387 -0.292) 0.827 8.114 ( 4.664 2.693 -0.115) 5.387 8.295 ( -1.275 -0.736 1.582) 2.161 8.519 ( 15.464 8.928 -0.606) 17.866 10.120 ( -2.666 -1.539 2.151) 3.756 10.149 ( -0.463 -0.268 0.977) 1.114 10.576 ( -18.921 -10.924 -1.402) 21.893 10.919 ( 2.016 1.164 -0.944) 2.511 11.181 ( 7.284 4.206 12.103) 14.739 11.571 ( 0.060 0.034 -14.348) 14.348 13.639 ( 6.052 3.494 -1.073) 7.070 ======================= Grid point 656 (127/146) ======================= q-point: ( 0.20 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -6.259 -3.613 6.094) 9.453 2.216 ( 0.986 0.569 -2.801) 3.024 2.489 ( 1.064 0.615 12.610) 12.670 2.883 ( -8.210 -4.740 -8.694) 12.863 3.218 ( 6.653 3.841 -1.703) 7.869 4.048 ( -0.547 -0.316 1.798) 1.905 4.122 ( 3.563 2.057 2.914) 5.042 4.241 ( 2.776 1.602 -10.831) 11.295 4.751 ( -5.286 -3.052 4.919) 7.839 5.500 ( -8.157 -4.709 -3.446) 10.029 5.562 ( -1.915 -1.106 -3.314) 3.984 5.708 ( -12.349 -7.130 11.593) 18.378 6.118 ( -4.860 -2.806 -4.162) 6.987 6.438 ( 1.179 0.681 0.092) 1.365 7.065 ( 4.801 2.772 -0.706) 5.588 7.335 ( 1.048 0.605 -0.654) 1.376 7.983 ( 0.824 0.476 -1.999) 2.214 8.160 ( 0.055 0.032 0.777) 0.780 8.298 ( 2.127 1.228 2.463) 3.478 8.884 ( 15.627 9.023 0.328) 18.048 10.020 ( -7.751 -4.475 4.031) 9.816 10.111 ( -13.169 -7.603 -7.373) 16.900 10.162 ( -5.413 -3.125 4.299) 7.586 10.969 ( 2.138 1.234 0.404) 2.502 11.278 ( 1.179 0.681 12.483) 12.557 11.599 ( 3.006 1.735 -16.907) 17.259 13.804 ( 8.000 4.619 -1.119) 9.305 ======================= Grid point 657 (128/146) ======================= q-point: ( 0.30 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -4.639 -2.678 3.060) 6.169 2.125 ( -9.763 -5.637 -3.476) 11.797 2.530 ( 4.017 2.319 13.505) 14.279 2.766 ( -2.129 -1.229 -4.964) 5.539 3.380 ( 6.936 4.005 -0.104) 8.010 4.051 ( 0.776 0.448 1.708) 1.929 4.188 ( 2.245 1.296 -1.953) 3.246 4.325 ( 4.905 2.832 -7.123) 9.101 4.649 ( -3.723 -2.149 5.436) 6.930 5.261 ( -11.575 -6.683 -6.693) 14.948 5.436 ( -11.335 -6.544 7.359) 15.016 5.531 ( -1.430 -0.825 -1.264) 2.079 5.966 ( -8.696 -5.021 -1.032) 10.094 6.471 ( 1.767 1.020 0.004) 2.040 7.162 ( 4.833 2.790 1.082) 5.684 7.447 ( 6.618 3.821 -0.369) 7.651 7.996 ( 0.238 0.137 -3.784) 3.794 8.156 ( 0.297 0.172 3.219) 3.238 8.373 ( 4.117 2.377 1.822) 5.091 9.171 ( 9.095 5.251 2.929) 10.902 9.648 ( -17.441 -10.070 -3.035) 20.366 9.925 ( -5.501 -3.176 1.071) 6.442 10.155 ( 0.456 0.263 1.045) 1.170 11.004 ( 0.874 0.504 4.116) 4.237 11.256 ( -2.154 -1.244 0.223) 2.497 11.694 ( 4.774 2.756 -9.938) 11.364 13.970 ( 6.495 3.750 -1.130) 7.584 ======================= Grid point 658 (129/146) ======================= q-point: ( 0.40 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -2.209 -1.275 3.962) 4.712 1.870 ( -11.011 -6.357 -2.702) 12.998 2.628 ( 3.314 1.913 9.298) 10.055 2.771 ( 2.481 1.432 -3.751) 4.720 3.502 ( 3.996 2.307 6.008) 7.576 4.049 ( -2.020 -1.166 -2.419) 3.360 4.249 ( 3.754 2.167 -5.338) 6.876 4.448 ( 5.538 3.198 -1.285) 6.523 4.591 ( -1.477 -0.852 5.555) 5.811 5.029 ( -8.790 -5.075 -7.129) 12.403 5.211 ( -7.894 -4.558 3.575) 9.791 5.517 ( 0.279 0.161 -1.115) 1.161 5.768 ( -8.062 -4.654 0.493) 9.322 6.508 ( 1.361 0.786 -0.360) 1.612 7.261 ( 3.447 1.990 0.555) 4.019 7.580 ( 4.669 2.696 1.617) 5.629 7.993 ( -0.403 -0.233 -3.132) 3.166 8.179 ( 1.673 0.966 2.415) 3.093 8.464 ( 3.669 2.118 1.487) 4.490 9.191 ( -7.492 -4.326 3.337) 9.272 9.431 ( -1.131 -0.653 -0.650) 1.459 9.831 ( -2.629 -1.518 0.856) 3.154 10.169 ( 0.720 0.415 -0.696) 1.084 11.007 ( -0.450 -0.260 7.651) 7.669 11.214 ( -1.350 -0.779 -8.409) 8.553 11.786 ( 3.080 1.778 -6.030) 7.001 14.082 ( 3.464 2.000 -1.096) 4.147 ======================= Grid point 659 (130/146) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.931 -0.538 6.828) 6.912 1.710 ( -1.668 -0.963 -1.040) 2.189 2.663 ( 0.275 0.159 6.120) 6.128 2.839 ( 2.211 1.276 -6.366) 6.858 3.575 ( 2.752 1.589 9.560) 10.074 3.974 ( -3.546 -2.047 -4.138) 5.821 4.299 ( -1.020 -0.589 -4.540) 4.691 4.516 ( -0.884 -0.511 5.077) 5.178 4.616 ( 4.696 2.711 0.281) 5.430 4.875 ( -4.674 -2.699 -3.831) 6.619 5.141 ( 2.522 1.456 -1.960) 3.510 5.529 ( -0.499 -0.288 -0.651) 0.869 5.658 ( -0.034 -0.020 1.357) 1.358 6.526 ( 0.164 0.095 -0.743) 0.766 7.305 ( 0.488 0.282 -0.568) 0.800 7.629 ( -0.610 -0.352 3.600) 3.668 7.975 ( -1.245 -0.719 -0.829) 1.659 8.223 ( 1.853 1.070 -1.292) 2.499 8.516 ( 0.423 0.244 0.991) 1.105 9.073 ( -0.420 -0.243 2.358) 2.408 9.423 ( -0.691 -0.399 3.270) 3.366 9.802 ( -0.368 -0.213 1.029) 1.113 10.186 ( 0.706 0.408 -2.318) 2.457 11.002 ( 0.356 0.206 8.318) 8.328 11.194 ( -0.595 -0.344 -10.198) 10.221 11.823 ( 0.133 0.077 -5.214) 5.216 14.121 ( -0.002 -0.001 -1.071) 1.071 ======================= Grid point 661 (131/146) ======================= q-point: (-0.40 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.138 0.080 8.723) 8.725 1.812 ( 9.311 5.376 2.069) 10.949 2.649 ( -1.541 -0.890 6.709) 6.941 2.850 ( -0.759 -0.438 -10.988) 11.023 3.589 ( -2.796 -1.614 0.971) 3.371 3.939 ( 0.970 0.560 3.921) 4.078 4.217 ( -4.644 -2.681 -1.560) 5.585 4.452 ( -4.446 -2.567 0.753) 5.189 4.688 ( 0.905 0.523 -5.189) 5.293 4.889 ( 6.462 3.731 6.043) 9.602 5.301 ( 10.647 6.147 -4.996) 13.270 5.501 ( -0.582 -0.336 0.598) 0.900 5.761 ( 7.422 4.285 1.071) 8.637 6.515 ( -1.054 -0.609 -1.074) 1.624 7.281 ( -2.654 -1.532 -1.789) 3.549 7.557 ( -5.368 -3.099 4.261) 7.521 7.945 ( -1.242 -0.717 1.456) 2.044 8.244 ( -0.099 -0.057 -3.793) 3.795 8.481 ( -3.067 -1.771 -0.011) 3.542 9.204 ( 11.719 6.766 2.910) 13.842 9.373 ( -4.672 -2.697 3.502) 6.432 9.821 ( 2.632 1.520 1.959) 3.616 10.198 ( 0.435 0.251 -3.154) 3.193 11.022 ( 0.954 0.551 7.717) 7.796 11.189 ( 0.443 0.256 -7.605) 7.623 11.792 ( -2.830 -1.634 -6.544) 7.315 14.082 ( -3.466 -2.001 -1.089) 4.148 ======================= Grid point 662 (132/146) ======================= q-point: (-0.30 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 4.673 2.698 9.505) 10.930 2.046 ( 9.820 5.669 3.737) 11.939 2.605 ( -1.678 -0.969 9.655) 9.847 2.827 ( -0.950 -0.548 -14.619) 14.660 3.455 ( -7.995 -4.616 -5.892) 10.952 3.984 ( 1.972 1.139 7.693) 8.023 4.140 ( -2.070 -1.195 -0.197) 2.399 4.342 ( -4.866 -2.809 -4.812) 7.398 4.717 ( 2.120 1.224 -1.798) 3.037 5.098 ( 11.587 6.690 8.838) 16.035 5.481 ( 2.088 1.205 0.691) 2.508 5.610 ( 12.893 7.444 -6.620) 16.293 5.934 ( 6.973 4.026 2.115) 8.325 6.484 ( -1.619 -0.935 -1.260) 2.255 7.196 ( -4.402 -2.542 -2.723) 5.766 7.414 ( -6.902 -3.985 3.451) 8.684 7.928 ( -0.166 -0.096 2.647) 2.654 8.225 ( -1.360 -0.785 -3.482) 3.820 8.403 ( -3.450 -1.992 -0.991) 4.105 9.189 ( -11.532 -6.658 1.628) 13.415 9.560 ( 18.893 10.908 4.329) 22.241 9.919 ( 5.630 3.250 2.056) 6.818 10.208 ( 0.684 0.395 -3.694) 3.778 11.019 ( -1.349 -0.779 2.934) 3.322 11.224 ( 2.449 1.414 2.579) 3.827 11.705 ( -4.649 -2.684 -10.538) 11.827 13.970 ( -6.493 -3.749 -1.122) 7.581 ======================= Grid point 663 (133/146) ======================= q-point: (-0.20 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 7.938 4.583 10.042) 13.597 2.174 ( 1.387 0.801 1.408) 2.132 2.573 ( -3.028 -1.748 10.612) 11.173 2.851 ( 4.729 2.730 -13.076) 14.170 3.285 ( -6.463 -3.731 -6.174) 9.686 4.012 ( 0.650 0.375 5.791) 5.839 4.112 ( -0.915 -0.528 0.948) 1.419 4.247 ( -3.492 -2.016 -8.773) 9.655 4.784 ( 3.874 2.237 1.716) 4.791 5.378 ( 12.452 7.189 8.234) 16.569 5.521 ( 1.939 1.119 0.494) 2.292 5.915 ( 13.467 7.775 -8.397) 17.672 6.026 ( 0.949 0.548 4.682) 4.809 6.449 ( -1.551 -0.895 -0.934) 2.020 7.098 ( -5.917 -3.416 -4.451) 8.155 7.305 ( 0.148 0.085 2.826) 2.831 7.934 ( 0.503 0.291 2.482) 2.549 8.189 ( -1.963 -1.133 -1.889) 2.950 8.342 ( -1.810 -1.045 -1.738) 2.718 8.874 ( -16.248 -9.381 1.336) 18.810 9.971 ( 14.061 8.118 6.283) 17.409 10.052 ( 6.280 3.626 1.127) 7.338 10.264 ( 6.840 3.949 -5.797) 9.798 10.971 ( -2.628 -1.517 -0.120) 3.037 11.260 ( -0.341 -0.197 13.539) 13.544 11.608 ( -3.328 -1.921 -16.804) 17.238 13.804 ( -7.997 -4.617 -1.116) 9.302 ======================= Grid point 664 (134/146) ======================= q-point: (-0.10 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 7.020 4.053 14.743) 16.824 2.174 ( 0.463 0.267 -2.784) 2.835 2.438 ( -7.992 -4.614 0.216) 9.231 3.003 ( 6.223 3.593 -2.841) 7.726 3.186 ( -2.016 -1.164 -5.376) 5.859 4.019 ( -0.158 -0.091 4.645) 4.649 4.085 ( -1.270 -0.733 1.322) 1.975 4.193 ( -1.291 -0.745 -10.879) 10.980 4.881 ( 4.306 2.486 4.611) 6.781 5.556 ( 2.010 1.161 0.737) 2.436 5.588 ( 3.681 2.125 -0.372) 4.266 6.020 ( 0.577 0.333 10.553) 10.574 6.202 ( 11.994 6.925 -6.481) 15.291 6.412 ( -1.570 -0.906 -0.378) 1.852 6.895 ( -10.989 -6.344 -6.165) 14.107 7.480 ( 13.609 7.857 1.158) 15.757 7.945 ( 0.443 0.256 1.512) 1.596 8.123 ( -4.758 -2.747 -0.968) 5.579 8.324 ( -0.049 -0.028 -1.220) 1.222 8.501 ( -15.437 -8.913 1.088) 17.859 10.118 ( 2.915 1.683 2.259) 4.054 10.142 ( 1.515 0.875 1.627) 2.390 10.587 ( 17.688 10.212 -2.445) 20.570 10.916 ( -2.043 -1.179 -0.647) 2.446 11.178 ( -6.905 -3.987 12.292) 14.652 11.572 ( -0.244 -0.141 -14.373) 14.376 13.639 ( -6.051 -3.494 -1.073) 7.069 ======================= Grid point 666 (135/146) ======================= q-point: ( 0.10 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.661 -8.126 9.288) 12.625 2.189 ( 1.450 -0.055 -0.778) 1.646 2.517 ( -0.451 5.432 8.426) 10.035 2.909 ( -2.476 -8.581 -8.895) 12.605 3.215 ( 0.341 6.629 -3.844) 7.670 4.036 ( 1.407 -0.895 3.670) 4.031 4.104 ( 1.024 2.264 2.375) 3.437 4.224 ( 1.274 2.444 -10.590) 10.943 4.798 ( -3.689 -4.142 3.812) 6.730 5.462 ( -2.521 -11.700 1.742) 12.095 5.556 ( -1.335 -4.941 1.029) 5.221 5.935 ( -10.098 2.588 6.740) 12.414 6.080 ( 1.825 -10.512 -6.834) 12.670 6.416 ( -1.070 -0.970 -0.096) 1.448 7.057 ( 4.168 9.510 -3.400) 10.926 7.324 ( -1.981 -5.378 1.165) 5.849 7.955 ( 1.548 -0.785 0.591) 1.834 8.180 ( 1.171 3.199 -0.536) 3.448 8.302 ( -1.733 1.350 0.087) 2.198 8.781 ( 10.051 16.162 0.578) 19.041 10.043 ( -3.476 -7.812 4.814) 9.812 10.117 ( -0.320 -5.366 -0.192) 5.379 10.280 ( -11.648 -13.800 -3.055) 18.315 10.973 ( 2.308 4.066 -1.264) 4.843 11.252 ( 1.629 1.603 15.243) 15.414 11.586 ( 0.819 2.004 -17.604) 17.736 13.756 ( 4.555 7.888 -1.106) 9.176 ======================= Grid point 667 (136/146) ======================= q-point: ( 0.20 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -2.895 -5.405 5.177) 8.025 2.164 ( -2.740 -6.654 -1.206) 7.297 2.533 ( -0.854 3.211 12.854) 13.277 2.794 ( -3.098 -2.894 -8.121) 9.161 3.336 ( 4.758 7.844 -2.834) 9.602 4.042 ( 0.690 -0.249 3.046) 3.133 4.165 ( 2.799 2.271 1.669) 3.972 4.280 ( 2.693 2.315 -9.722) 10.350 4.699 ( -4.188 -2.117 4.299) 6.364 5.268 ( -3.800 -16.160 -0.377) 16.605 5.418 ( -6.209 -8.346 0.464) 10.412 5.790 ( -12.221 6.925 2.628) 14.290 6.022 ( -2.303 -5.448 -3.029) 6.645 6.371 ( 2.708 -7.522 0.459) 8.008 7.173 ( 0.915 7.091 -0.245) 7.154 7.372 ( 6.524 3.946 0.143) 7.626 7.977 ( 1.612 -0.332 -1.280) 2.085 8.203 ( -2.034 3.666 1.199) 4.361 8.333 ( 3.080 2.649 0.753) 4.132 9.078 ( 9.191 9.577 1.613) 13.371 9.744 ( -12.757 -20.858 0.018) 24.450 9.989 ( -4.819 -4.249 -1.595) 6.620 10.155 ( -0.816 0.212 2.690) 2.819 11.045 ( -0.232 6.185 0.413) 6.203 11.252 ( 0.009 -3.086 7.223) 7.854 11.646 ( 3.332 2.775 -13.119) 13.817 13.915 ( 5.515 6.314 -1.128) 8.459 ======================= Grid point 668 (137/146) ======================= q-point: ( 0.30 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.301 -2.396 4.377) 5.495 1.968 ( -9.057 -9.618 -2.414) 13.430 2.586 ( 3.019 2.305 10.717) 11.371 2.761 ( 0.154 0.807 -4.699) 4.771 3.483 ( 3.510 6.573 2.243) 7.782 4.060 ( 0.671 0.295 0.579) 0.934 4.221 ( 1.649 2.176 -3.005) 4.060 4.366 ( 5.589 0.857 -4.650) 7.321 4.624 ( -3.031 -0.395 5.164) 6.001 5.058 ( -3.935 -12.345 -4.314) 13.656 5.226 ( -5.838 -9.167 1.351) 10.951 5.674 ( -9.480 7.587 0.326) 12.146 5.872 ( -9.143 -3.043 -0.482) 9.648 6.390 ( 7.623 -8.179 0.080) 11.181 7.248 ( 1.468 4.151 0.050) 4.403 7.537 ( 5.917 6.184 1.461) 8.683 8.001 ( 0.685 1.319 -2.413) 2.834 8.207 ( -1.706 4.042 2.327) 4.966 8.429 ( 4.085 3.772 1.074) 5.663 9.208 ( -1.257 -4.507 4.176) 6.271 9.388 ( -3.799 -14.018 -2.851) 14.801 9.897 ( -3.769 0.790 0.318) 3.864 10.156 ( 0.582 -0.154 1.568) 1.680 11.066 ( -3.394 4.280 5.794) 7.962 11.228 ( -0.344 -0.230 -5.368) 5.384 11.731 ( 4.225 0.747 -7.548) 8.682 14.046 ( 4.003 3.793 -1.100) 5.623 ======================= Grid point 669 (138/146) ======================= q-point: ( 0.40 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.846 -0.003 6.437) 6.492 1.752 ( -6.249 -5.222 -2.375) 8.483 2.638 ( 2.014 -0.716 7.640) 7.933 2.805 ( 2.782 1.380 -5.138) 6.004 3.575 ( 1.183 5.090 8.862) 10.288 4.031 ( -4.011 -0.391 -4.123) 5.765 4.283 ( 2.692 0.847 -5.117) 5.843 4.457 ( 5.485 -2.607 1.485) 6.252 4.597 ( -0.543 1.423 4.143) 4.414 4.912 ( -3.337 -5.697 -5.366) 8.508 5.084 ( -0.432 -6.171 -0.683) 6.224 5.631 ( -4.744 8.174 -0.265) 9.455 5.711 ( -6.846 -0.475 0.870) 6.917 6.433 ( 6.090 -7.687 -0.422) 9.816 7.295 ( 1.092 0.837 -0.379) 1.427 7.653 ( 0.838 4.841 3.064) 5.790 8.017 ( -1.847 3.054 -1.594) 3.908 8.228 ( 0.028 3.373 0.546) 3.417 8.523 ( 1.670 4.270 1.369) 4.785 9.023 ( -1.978 -12.459 1.017) 12.656 9.332 ( 3.985 -8.854 1.783) 9.872 9.874 ( -3.291 5.111 1.215) 6.199 10.167 ( 1.103 -0.553 -0.061) 1.236 11.041 ( -2.339 2.180 6.264) 7.032 11.228 ( -2.066 3.522 -8.974) 9.860 11.789 ( 2.854 -1.621 -5.295) 6.230 14.116 ( 1.337 1.382 -1.058) 2.195 ======================= Grid point 670 (139/146) ======================= q-point: (-0.50 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -1.537 0.491 8.414) 8.568 1.721 ( 5.167 1.909 -0.196) 5.512 2.647 ( 0.449 -1.514 6.523) 6.712 2.840 ( 0.804 -1.210 -8.362) 8.487 3.624 ( -0.965 2.806 7.290) 7.871 3.963 ( -2.898 1.011 -1.471) 3.403 4.266 ( -3.385 -2.261 -2.663) 4.865 4.471 ( -0.421 -4.000 1.497) 4.291 4.647 ( 3.971 0.676 -0.661) 4.083 4.839 ( 0.210 -0.990 0.139) 1.022 5.125 ( 9.048 -2.129 -4.064) 10.145 5.623 ( -4.993 8.087 0.568) 9.521 5.711 ( 3.405 5.641 0.750) 6.632 6.438 ( 3.962 -8.855 -0.850) 9.738 7.301 ( -0.542 -0.578 -1.066) 1.328 7.645 ( -5.476 1.727 3.956) 6.973 7.993 ( -3.715 2.383 0.543) 4.447 8.260 ( -0.245 2.343 -2.393) 3.359 8.535 ( -3.877 1.596 0.175) 4.197 9.010 ( 11.619 -5.418 2.313) 13.027 9.323 ( 4.243 -7.821 2.434) 9.224 9.865 ( -3.412 5.047 1.995) 6.411 10.180 ( 1.130 -0.878 -1.107) 1.809 11.048 ( 0.106 3.350 6.252) 7.093 11.217 ( -3.257 3.189 -8.588) 9.723 11.791 ( 0.227 -3.172 -5.548) 6.395 14.116 ( -1.868 -0.468 -1.055) 2.196 ======================= Grid point 671 (140/146) ======================= q-point: (-0.40 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 1.494 2.194 8.832) 9.222 1.911 ( 11.680 4.540 2.405) 12.760 2.622 ( -1.497 -1.707 8.035) 8.349 2.822 ( -0.217 -2.242 -11.402) 11.623 3.552 ( -7.636 -2.297 -2.787) 8.447 3.976 ( 1.210 2.825 6.374) 7.076 4.185 ( -3.779 -0.201 -0.422) 3.808 4.388 ( -3.964 -3.746 -3.421) 6.438 4.690 ( 1.768 -0.145 -2.020) 2.688 4.941 ( 10.532 1.630 5.776) 12.122 5.290 ( 11.919 -2.701 -3.841) 12.810 5.679 ( 0.074 12.647 -0.249) 12.649 5.858 ( 6.018 6.026 0.945) 8.569 6.402 ( 3.479 -10.530 -1.053) 11.140 7.266 ( -3.317 0.142 -1.967) 3.860 7.518 ( -9.204 -1.317 3.681) 10.000 7.957 ( -2.504 1.627 1.716) 3.444 8.257 ( -1.903 1.185 -2.433) 3.309 8.451 ( -5.057 -1.724 -1.036) 5.443 9.254 ( 6.797 -2.899 2.633) 7.844 9.302 ( 10.580 -0.713 2.244) 10.839 9.884 ( 1.427 3.699 1.735) 4.328 10.186 ( 0.926 -1.338 -1.154) 1.995 11.090 ( -1.924 5.743 5.762) 8.360 11.193 ( -0.063 -0.243 -4.517) 4.524 11.738 ( -2.549 -3.379 -8.079) 9.121 14.045 ( -5.287 -1.568 -1.094) 5.622 ======================= Grid point 672 (141/146) ======================= q-point: (-0.30 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 5.979 3.222 8.392) 10.796 2.125 ( 7.432 2.796 2.335) 8.277 2.581 ( -0.962 -1.910 11.454) 11.652 2.811 ( 1.712 -0.786 -13.211) 13.345 3.373 ( -8.892 -3.579 -5.546) 11.074 4.016 ( 0.512 1.860 5.904) 6.212 4.139 ( -2.506 0.969 0.998) 2.866 4.291 ( -3.878 -2.050 -7.769) 8.922 4.729 ( 3.370 -0.300 1.181) 3.583 5.187 ( 15.073 3.372 6.312) 16.685 5.443 ( 8.665 -1.446 -1.216) 8.869 5.858 ( 5.907 12.117 -3.443) 13.912 5.970 ( 2.831 -1.076 1.777) 3.512 6.382 ( 5.049 -6.714 -0.696) 8.430 7.196 ( -5.917 1.127 -3.103) 6.776 7.349 ( -7.254 -2.132 2.993) 8.132 7.945 ( -0.786 1.527 1.632) 2.369 8.228 ( -2.550 0.663 -1.160) 2.879 8.356 ( -3.168 -2.950 -1.373) 4.542 9.079 ( -13.636 -3.454 1.570) 14.154 9.705 ( 23.941 4.488 3.166) 24.563 9.980 ( 5.754 2.447 0.233) 6.256 10.190 ( 1.882 -2.069 -1.019) 2.977 11.055 ( -6.053 2.684 -1.029) 6.701 11.233 ( 3.331 -0.078 9.133) 9.722 11.653 ( -4.011 -2.042 -13.303) 14.044 13.915 ( -8.225 -1.615 -1.124) 8.457 ======================= Grid point 677 (142/146) ======================= q-point: ( 0.20 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -0.178 -3.236 6.935) 7.655 1.976 ( -4.517 -11.601 0.318) 12.453 2.589 ( -0.337 2.277 9.750) 10.018 2.780 ( -1.506 0.827 -8.290) 8.466 3.507 ( 2.984 9.265 -1.609) 9.866 4.030 ( 2.093 -1.213 3.885) 4.577 4.209 ( 3.350 2.104 1.794) 4.344 4.328 ( -0.146 2.671 -7.984) 8.420 4.671 ( -2.779 -0.828 2.831) 4.052 4.982 ( -3.150 -12.198 1.059) 12.643 5.252 ( -6.863 -8.738 -2.252) 11.337 5.805 ( -3.157 -4.753 1.379) 5.870 6.004 ( 2.365 1.516 -1.600) 3.233 6.208 ( -5.032 -6.520 0.285) 8.241 7.268 ( 0.843 2.471 -1.378) 2.952 7.508 ( 6.023 9.352 2.644) 11.434 7.989 ( 2.577 1.840 0.030) 3.167 8.267 ( 0.021 2.490 1.098) 2.722 8.416 ( 2.316 6.035 -1.295) 6.592 9.199 ( -0.747 0.911 3.713) 3.895 9.323 ( -8.994 -20.350 -1.397) 22.292 9.931 ( -0.026 -1.124 0.174) 1.138 10.160 ( -1.085 0.167 2.225) 2.481 11.154 ( -3.539 -0.590 3.106) 4.745 11.201 ( 5.493 3.219 -1.397) 6.518 11.694 ( 0.815 1.965 -9.177) 9.420 14.029 ( 3.010 5.208 -1.093) 6.114 ======================= Grid point 678 (143/146) ======================= q-point: ( 0.30 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.386 -0.547 7.728) 7.757 1.789 ( -5.224 -8.063 -2.348) 9.890 2.605 ( 0.816 0.044 9.166) 9.203 2.785 ( 0.805 1.219 -6.655) 6.814 3.622 ( 0.861 7.063 6.700) 9.773 4.063 ( 1.388 0.442 -1.666) 2.213 4.259 ( 0.528 1.106 -1.548) 1.975 4.346 ( 2.872 -2.638 -3.983) 5.574 4.633 ( -1.688 1.150 4.491) 4.933 4.869 ( 0.195 -6.180 -3.022) 6.882 5.070 ( -4.941 -7.252 -2.548) 9.138 5.729 ( -2.416 0.123 1.251) 2.724 5.921 ( -12.960 6.040 -0.668) 14.314 6.200 ( 10.193 -10.584 -0.019) 14.694 7.290 ( 0.321 0.522 -0.832) 1.033 7.678 ( 3.525 7.498 3.219) 8.888 8.066 ( 1.901 5.581 -0.750) 5.943 8.279 ( -1.584 2.931 1.296) 3.575 8.532 ( 3.431 6.814 0.288) 7.634 8.945 ( -7.032 -17.813 0.066) 19.150 9.191 ( 0.332 -9.383 0.801) 9.423 9.956 ( 0.013 4.621 1.121) 4.755 10.149 ( 0.028 -0.720 2.500) 2.602 11.083 ( -2.356 -1.892 1.541) 3.392 11.316 ( 0.385 8.259 -4.522) 9.424 11.717 ( 2.158 -2.310 -6.064) 6.839 14.107 ( 1.771 2.484 -1.035) 3.221 ======================= Grid point 679 (144/146) ======================= q-point: ( 0.40 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.234 0.269 9.990) 9.996 1.686 ( -0.366 -1.463 -3.367) 3.690 2.616 ( 1.097 -1.227 8.279) 8.441 2.811 ( 1.221 -0.606 -7.593) 7.714 3.677 ( -0.849 4.559 11.903) 12.774 4.046 ( -4.446 2.162 -5.313) 7.257 4.272 ( 0.502 -1.721 -3.456) 3.894 4.370 ( 4.762 -5.294 -1.234) 7.227 4.633 ( -0.319 2.010 3.809) 4.318 4.837 ( -0.778 -2.262 -1.763) 2.972 4.990 ( 3.347 -3.606 -4.489) 6.660 5.725 ( -1.753 3.025 1.336) 3.743 5.814 ( -5.476 8.924 -0.104) 10.471 6.243 ( 6.828 -11.330 -0.575) 13.241 7.295 ( 0.314 -0.430 -0.810) 0.969 7.746 ( -2.468 4.074 3.816) 6.103 8.113 ( -4.940 6.461 0.522) 8.150 8.288 ( -0.138 2.605 -0.979) 2.786 8.636 ( -1.255 7.170 1.460) 7.424 8.752 ( 5.092 -14.165 -0.620) 15.066 9.134 ( 6.146 -10.549 0.991) 12.249 9.981 ( -3.387 5.161 2.430) 6.634 10.149 ( 1.254 -1.372 1.575) 2.436 11.054 ( 0.343 -0.378 0.479) 0.700 11.358 ( -5.214 8.540 -5.133) 11.246 11.724 ( 2.903 -4.813 -4.939) 7.483 14.134 ( -0.325 0.561 -1.005) 1.196 ======================= Grid point 681 (145/146) ======================= q-point: (-0.50 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.332 0.838 8.924) 8.969 1.767 ( 8.717 2.348 -0.787) 9.062 2.615 ( 0.211 -1.430 8.226) 8.353 2.805 ( -0.347 -1.874 -8.558) 8.768 3.655 ( -5.460 -0.089 5.322) 7.625 4.009 ( -1.981 3.381 0.519) 3.952 4.243 ( -2.293 0.566 -0.494) 2.413 4.375 ( 1.047 -5.012 -4.425) 6.767 4.656 ( 1.390 -0.070 2.427) 2.798 4.830 ( 3.317 0.412 -0.433) 3.370 5.090 ( 9.596 -1.328 -3.872) 10.433 5.728 ( 0.962 2.392 1.324) 2.899 5.913 ( 1.081 14.005 0.114) 14.047 6.209 ( 4.362 -14.020 -0.851) 14.707 7.292 ( -0.385 -0.246 -1.083) 1.176 7.675 ( -8.515 1.014 3.583) 9.293 8.049 ( -6.190 2.610 0.829) 6.769 8.297 ( -1.318 1.067 -0.454) 1.756 8.551 ( -7.997 -0.709 -1.415) 8.152 8.926 ( 19.835 -1.681 1.797) 19.987 9.189 ( 7.303 -4.629 0.937) 8.697 9.948 ( -4.257 2.872 1.869) 5.464 10.158 ( 1.064 -1.140 1.628) 2.254 11.088 ( 3.322 0.671 1.231) 3.606 11.308 ( -8.025 4.476 -3.920) 9.990 11.720 ( 1.039 -3.203 -6.298) 7.142 14.107 ( -3.038 -0.290 -1.033) 3.222 ======================= Grid point 689 (146/146) ======================= q-point: ( 0.30 0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.010 0.016 11.096) 11.096 1.681 ( -1.179 -2.710 -4.229) 5.159 2.601 ( -0.280 -0.267 9.529) 9.536 2.798 ( -0.144 0.159 -8.560) 8.562 3.718 ( 0.760 2.310 13.947) 14.158 4.098 ( 3.341 3.047 -7.258) 8.551 4.244 ( -1.793 -2.366 -0.636) 3.036 4.299 ( -1.397 -1.488 -4.804) 5.219 4.656 ( 0.244 0.808 4.377) 4.458 4.819 ( 0.676 0.167 -0.417) 0.812 4.951 ( -2.919 -4.459 -5.783) 7.865 5.762 ( 1.640 2.908 1.320) 3.590 5.986 ( -0.908 -2.993 0.637) 3.192 6.042 ( -1.649 -1.513 -1.288) 2.582 7.289 ( -0.128 -0.205 -0.840) 0.874 7.789 ( 1.884 3.225 3.903) 5.402 8.207 ( 5.174 7.639 1.922) 9.424 8.321 ( 0.222 1.798 -0.817) 1.987 8.565 ( -6.517 -9.945 -1.252) 11.956 8.747 ( 3.813 4.919 1.008) 6.305 8.996 ( -5.706 -9.630 -0.157) 11.194 10.044 ( 2.422 3.806 2.609) 5.211 10.124 ( -1.284 -1.815 2.573) 3.400 11.047 ( -0.719 -1.201 -1.256) 1.881 11.478 ( 4.352 7.333 -4.045) 9.438 11.645 ( -2.776 -4.662 -4.947) 7.342 14.139 ( 0.476 0.824 -0.980) 1.366 =================== 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 3/35100 10.0 135.243 135.243 136.775 -0.000 -0.000 -0.000 3/35100 20.0 18.552 18.552 30.851 -0.000 -0.000 -0.000 3/35100 30.0 7.857 7.857 15.117 -0.000 -0.000 -0.000 3/35100 40.0 4.639 4.639 9.545 -0.000 -0.000 -0.000 3/35100 50.0 3.197 3.197 6.852 -0.000 -0.000 -0.000 3/35100 60.0 2.417 2.417 5.313 -0.000 -0.000 -0.000 3/35100 70.0 1.947 1.947 4.334 -0.000 -0.000 -0.000 3/35100 80.0 1.640 1.640 3.666 -0.000 -0.000 -0.000 3/35100 90.0 1.428 1.428 3.185 -0.000 -0.000 -0.000 3/35100 100.0 1.274 1.274 2.825 -0.000 -0.000 -0.000 3/35100 110.0 1.157 1.157 2.545 -0.000 -0.000 -0.000 3/35100 120.0 1.065 1.065 2.321 -0.000 -0.000 -0.000 3/35100 130.0 0.990 0.990 2.139 -0.000 -0.000 -0.000 3/35100 140.0 0.927 0.927 1.986 -0.000 -0.000 -0.000 3/35100 150.0 0.874 0.874 1.857 -0.000 -0.000 -0.000 3/35100 160.0 0.827 0.827 1.745 -0.000 -0.000 -0.000 3/35100 170.0 0.785 0.785 1.647 -0.000 -0.000 -0.000 3/35100 180.0 0.748 0.748 1.560 -0.000 -0.000 -0.000 3/35100 190.0 0.715 0.715 1.483 -0.000 -0.000 -0.000 3/35100 200.0 0.685 0.685 1.414 -0.000 -0.000 -0.000 3/35100 210.0 0.657 0.657 1.351 -0.000 -0.000 -0.000 3/35100 220.0 0.631 0.631 1.294 -0.000 -0.000 -0.000 3/35100 230.0 0.608 0.608 1.241 -0.000 -0.000 -0.000 3/35100 240.0 0.586 0.586 1.193 -0.000 -0.000 -0.000 3/35100 250.0 0.565 0.565 1.149 -0.000 -0.000 -0.000 3/35100 260.0 0.546 0.546 1.107 -0.000 -0.000 -0.000 3/35100 270.0 0.529 0.529 1.069 -0.000 -0.000 -0.000 3/35100 280.0 0.512 0.512 1.033 -0.000 -0.000 -0.000 3/35100 290.0 0.496 0.496 1.000 -0.000 -0.000 -0.000 3/35100 300.0 0.481 0.481 0.968 -0.000 -0.000 -0.000 3/35100 310.0 0.467 0.467 0.939 -0.000 -0.000 -0.000 3/35100 320.0 0.454 0.454 0.911 -0.000 -0.000 -0.000 3/35100 330.0 0.442 0.442 0.885 -0.000 -0.000 -0.000 3/35100 340.0 0.430 0.430 0.860 -0.000 -0.000 -0.000 3/35100 350.0 0.418 0.418 0.837 -0.000 -0.000 -0.000 3/35100 360.0 0.408 0.408 0.815 -0.000 -0.000 -0.000 3/35100 370.0 0.398 0.398 0.794 -0.000 -0.000 -0.000 3/35100 380.0 0.388 0.388 0.774 -0.000 -0.000 -0.000 3/35100 390.0 0.379 0.379 0.755 -0.000 -0.000 -0.000 3/35100 400.0 0.370 0.370 0.737 -0.000 -0.000 -0.000 3/35100 410.0 0.361 0.361 0.720 -0.000 -0.000 -0.000 3/35100 420.0 0.353 0.353 0.703 -0.000 -0.000 -0.000 3/35100 430.0 0.346 0.346 0.687 -0.000 -0.000 -0.000 3/35100 440.0 0.338 0.338 0.672 -0.000 -0.000 -0.000 3/35100 450.0 0.331 0.331 0.658 -0.000 -0.000 -0.000 3/35100 460.0 0.324 0.324 0.644 -0.000 -0.000 -0.000 3/35100 470.0 0.318 0.318 0.631 -0.000 -0.000 -0.000 3/35100 480.0 0.311 0.311 0.618 -0.000 -0.000 -0.000 3/35100 490.0 0.305 0.305 0.606 -0.000 -0.000 -0.000 3/35100 500.0 0.300 0.300 0.594 -0.000 -0.000 -0.000 3/35100 510.0 0.294 0.294 0.583 -0.000 -0.000 -0.000 3/35100 520.0 0.289 0.289 0.572 -0.000 -0.000 -0.000 3/35100 530.0 0.283 0.283 0.561 -0.000 -0.000 -0.000 3/35100 540.0 0.278 0.278 0.551 -0.000 -0.000 -0.000 3/35100 550.0 0.273 0.273 0.541 -0.000 -0.000 -0.000 3/35100 560.0 0.269 0.269 0.532 -0.000 -0.000 -0.000 3/35100 570.0 0.264 0.264 0.523 -0.000 -0.000 -0.000 3/35100 580.0 0.260 0.260 0.514 -0.000 -0.000 -0.000 3/35100 590.0 0.256 0.256 0.506 -0.000 -0.000 -0.000 3/35100 600.0 0.251 0.251 0.497 -0.000 -0.000 -0.000 3/35100 610.0 0.247 0.247 0.489 -0.000 -0.000 -0.000 3/35100 620.0 0.244 0.244 0.482 -0.000 -0.000 -0.000 3/35100 630.0 0.240 0.240 0.474 -0.000 -0.000 -0.000 3/35100 640.0 0.236 0.236 0.467 -0.000 -0.000 -0.000 3/35100 650.0 0.233 0.233 0.460 -0.000 -0.000 -0.000 3/35100 660.0 0.229 0.229 0.453 -0.000 -0.000 -0.000 3/35100 670.0 0.226 0.226 0.446 -0.000 -0.000 -0.000 3/35100 680.0 0.223 0.223 0.440 -0.000 -0.000 -0.000 3/35100 690.0 0.219 0.219 0.434 -0.000 -0.000 -0.000 3/35100 700.0 0.216 0.216 0.428 -0.000 -0.000 -0.000 3/35100 710.0 0.213 0.213 0.422 -0.000 -0.000 -0.000 3/35100 720.0 0.211 0.211 0.416 -0.000 -0.000 -0.000 3/35100 730.0 0.208 0.208 0.410 -0.000 -0.000 -0.000 3/35100 740.0 0.205 0.205 0.405 -0.000 -0.000 -0.000 3/35100 750.0 0.202 0.202 0.399 -0.000 -0.000 -0.000 3/35100 760.0 0.200 0.200 0.394 -0.000 -0.000 -0.000 3/35100 770.0 0.197 0.197 0.389 -0.000 -0.000 -0.000 3/35100 780.0 0.195 0.195 0.384 -0.000 -0.000 -0.000 3/35100 790.0 0.192 0.192 0.379 -0.000 -0.000 -0.000 3/35100 800.0 0.190 0.190 0.375 -0.000 -0.000 -0.000 3/35100 810.0 0.188 0.188 0.370 -0.000 -0.000 -0.000 3/35100 820.0 0.185 0.185 0.366 -0.000 -0.000 -0.000 3/35100 830.0 0.183 0.183 0.361 -0.000 -0.000 -0.000 3/35100 840.0 0.181 0.181 0.357 -0.000 -0.000 -0.000 3/35100 850.0 0.179 0.179 0.353 -0.000 -0.000 -0.000 3/35100 860.0 0.177 0.177 0.349 -0.000 -0.000 -0.000 3/35100 870.0 0.175 0.175 0.345 -0.000 -0.000 -0.000 3/35100 880.0 0.173 0.173 0.341 -0.000 -0.000 -0.000 3/35100 890.0 0.171 0.171 0.337 -0.000 -0.000 -0.000 3/35100 900.0 0.169 0.169 0.334 -0.000 -0.000 -0.000 3/35100 910.0 0.167 0.167 0.330 -0.000 -0.000 -0.000 3/35100 920.0 0.166 0.166 0.326 -0.000 -0.000 -0.000 3/35100 930.0 0.164 0.164 0.323 -0.000 -0.000 -0.000 3/35100 940.0 0.162 0.162 0.320 -0.000 -0.000 -0.000 3/35100 950.0 0.160 0.160 0.316 -0.000 -0.000 -0.000 3/35100 960.0 0.159 0.159 0.313 -0.000 -0.000 -0.000 3/35100 970.0 0.157 0.157 0.310 -0.000 -0.000 -0.000 3/35100 980.0 0.156 0.156 0.307 -0.000 -0.000 -0.000 3/35100 990.0 0.154 0.154 0.304 -0.000 -0.000 -0.000 3/35100 1000.0 0.152 0.152 0.301 -0.000 -0.000 -0.000 3/35100 Thermal conductivity related properties were written into "kappa-m101013.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:30:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|