----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:25:33]------------------------- 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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.472751520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.790904350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.408120700000000 Atomic positions (fractional): *1 Dy 0.00000000000000 0.72418676365736 0.98403316810507 162.500 2 Dy 0.50000000000000 0.27581323634264 0.48403316810507 162.500 *3 H 0.50000000000000 0.19611700240205 0.96535725705830 1.008 4 H 0.00000000000000 0.80388299759795 0.46535725705830 1.008 *5 O 0.50000000000000 0.01911016775004 0.85589917356211 15.999 *6 O 0.00000000000000 0.52314973838890 0.61748641127452 15.999 7 O 0.00000000000000 0.98088983224996 0.35589917356210 15.999 8 O 0.50000000000000 0.47685026161110 0.11748641127452 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.472751520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.790904350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.408120700000000 Atomic positions (fractional): *1 Dy 0.00000000000000 0.72418676365736 0.98403316810507 162.500 > 1 2 Dy 0.50000000000000 0.27581323634264 0.48403316810507 162.500 > 2 *3 H 0.50000000000000 0.19611700240205 0.96535725705830 1.008 > 3 4 H 0.00000000000000 0.80388299759795 0.46535725705830 1.008 > 4 *5 O 0.50000000000000 0.01911016775004 0.85589917356211 15.999 > 5 *6 O 0.00000000000000 0.52314973838890 0.61748641127452 15.999 > 6 7 O 0.00000000000000 0.98088983224996 0.35589917356210 15.999 > 7 8 O 0.50000000000000 0.47685026161110 0.11748641127452 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.418254560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.372713050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.816241399999999 Atomic positions (fractional): *1 Dy 0.00000000000000 0.24139558788578 0.49201658405253 162.500 > 1 2 Dy 0.33333333333333 0.24139558788578 0.49201658405253 162.500 > 1 3 Dy 0.66666666666667 0.24139558788578 0.49201658405253 162.500 > 1 4 Dy 0.00000000000000 0.57472892121912 0.49201658405253 162.500 > 1 5 Dy 0.33333333333333 0.57472892121912 0.49201658405253 162.500 > 1 6 Dy 0.66666666666667 0.57472892121912 0.49201658405253 162.500 > 1 7 Dy 0.00000000000000 0.90806225455245 0.49201658405253 162.500 > 1 8 Dy 0.33333333333333 0.90806225455245 0.49201658405253 162.500 > 1 9 Dy 0.66666666666667 0.90806225455245 0.49201658405253 162.500 > 1 10 Dy 0.00000000000000 0.24139558788578 0.99201658405253 162.500 > 1 11 Dy 0.33333333333333 0.24139558788578 0.99201658405253 162.500 > 1 12 Dy 0.66666666666667 0.24139558788578 0.99201658405253 162.500 > 1 13 Dy 0.00000000000000 0.57472892121912 0.99201658405253 162.500 > 1 14 Dy 0.33333333333333 0.57472892121912 0.99201658405253 162.500 > 1 15 Dy 0.66666666666667 0.57472892121912 0.99201658405253 162.500 > 1 16 Dy 0.00000000000000 0.90806225455245 0.99201658405253 162.500 > 1 17 Dy 0.33333333333333 0.90806225455245 0.99201658405253 162.500 > 1 18 Dy 0.66666666666667 0.90806225455245 0.99201658405253 162.500 > 1 19 Dy 0.16666666666667 0.09193774544755 0.24201658405253 162.500 > 2 20 Dy 0.50000000000000 0.09193774544755 0.24201658405253 162.500 > 2 21 Dy 0.83333333333333 0.09193774544755 0.24201658405253 162.500 > 2 22 Dy 0.16666666666667 0.42527107878088 0.24201658405253 162.500 > 2 23 Dy 0.50000000000000 0.42527107878088 0.24201658405253 162.500 > 2 24 Dy 0.83333333333333 0.42527107878088 0.24201658405253 162.500 > 2 25 Dy 0.16666666666667 0.75860441211421 0.24201658405253 162.500 > 2 26 Dy 0.50000000000000 0.75860441211421 0.24201658405253 162.500 > 2 27 Dy 0.83333333333333 0.75860441211421 0.24201658405253 162.500 > 2 28 Dy 0.16666666666667 0.09193774544755 0.74201658405253 162.500 > 2 29 Dy 0.50000000000000 0.09193774544755 0.74201658405253 162.500 > 2 30 Dy 0.83333333333333 0.09193774544755 0.74201658405253 162.500 > 2 31 Dy 0.16666666666667 0.42527107878088 0.74201658405253 162.500 > 2 32 Dy 0.50000000000000 0.42527107878088 0.74201658405253 162.500 > 2 33 Dy 0.83333333333333 0.42527107878088 0.74201658405253 162.500 > 2 34 Dy 0.16666666666667 0.75860441211421 0.74201658405253 162.500 > 2 35 Dy 0.50000000000000 0.75860441211421 0.74201658405253 162.500 > 2 36 Dy 0.83333333333333 0.75860441211421 0.74201658405253 162.500 > 2 *37 H 0.16666666666667 0.06537233413402 0.48267862852915 1.008 > 3 38 H 0.50000000000000 0.06537233413402 0.48267862852915 1.008 > 3 39 H 0.83333333333333 0.06537233413402 0.48267862852915 1.008 > 3 40 H 0.16666666666667 0.39870566746735 0.48267862852915 1.008 > 3 41 H 0.50000000000000 0.39870566746735 0.48267862852915 1.008 > 3 42 H 0.83333333333333 0.39870566746735 0.48267862852915 1.008 > 3 43 H 0.16666666666667 0.73203900080068 0.48267862852915 1.008 > 3 44 H 0.50000000000000 0.73203900080068 0.48267862852915 1.008 > 3 45 H 0.83333333333333 0.73203900080068 0.48267862852915 1.008 > 3 46 H 0.16666666666667 0.06537233413402 0.98267862852915 1.008 > 3 47 H 0.50000000000000 0.06537233413402 0.98267862852915 1.008 > 3 48 H 0.83333333333333 0.06537233413402 0.98267862852915 1.008 > 3 49 H 0.16666666666667 0.39870566746735 0.98267862852915 1.008 > 3 50 H 0.50000000000000 0.39870566746735 0.98267862852915 1.008 > 3 51 H 0.83333333333333 0.39870566746735 0.98267862852915 1.008 > 3 52 H 0.16666666666667 0.73203900080068 0.98267862852915 1.008 > 3 53 H 0.50000000000000 0.73203900080068 0.98267862852915 1.008 > 3 54 H 0.83333333333333 0.73203900080068 0.98267862852915 1.008 > 3 55 H 0.00000000000000 0.26796099919932 0.23267862852915 1.008 > 4 56 H 0.33333333333333 0.26796099919932 0.23267862852915 1.008 > 4 57 H 0.66666666666667 0.26796099919932 0.23267862852915 1.008 > 4 58 H 0.00000000000000 0.60129433253265 0.23267862852915 1.008 > 4 59 H 0.33333333333333 0.60129433253265 0.23267862852915 1.008 > 4 60 H 0.66666666666667 0.60129433253265 0.23267862852915 1.008 > 4 61 H 0.00000000000000 0.93462766586598 0.23267862852915 1.008 > 4 62 H 0.33333333333333 0.93462766586598 0.23267862852915 1.008 > 4 63 H 0.66666666666667 0.93462766586598 0.23267862852915 1.008 > 4 64 H 0.00000000000000 0.26796099919932 0.73267862852915 1.008 > 4 65 H 0.33333333333333 0.26796099919932 0.73267862852915 1.008 > 4 66 H 0.66666666666667 0.26796099919932 0.73267862852915 1.008 > 4 67 H 0.00000000000000 0.60129433253265 0.73267862852915 1.008 > 4 68 H 0.33333333333333 0.60129433253265 0.73267862852915 1.008 > 4 69 H 0.66666666666667 0.60129433253265 0.73267862852915 1.008 > 4 70 H 0.00000000000000 0.93462766586598 0.73267862852915 1.008 > 4 71 H 0.33333333333333 0.93462766586598 0.73267862852915 1.008 > 4 72 H 0.66666666666667 0.93462766586598 0.73267862852915 1.008 > 4 *73 O 0.16666666666667 0.00637005591668 0.42794958678105 15.999 > 5 74 O 0.50000000000000 0.00637005591668 0.42794958678105 15.999 > 5 75 O 0.83333333333333 0.00637005591668 0.42794958678105 15.999 > 5 76 O 0.16666666666667 0.33970338925001 0.42794958678105 15.999 > 5 77 O 0.50000000000000 0.33970338925001 0.42794958678105 15.999 > 5 78 O 0.83333333333333 0.33970338925001 0.42794958678105 15.999 > 5 79 O 0.16666666666667 0.67303672258335 0.42794958678105 15.999 > 5 80 O 0.50000000000000 0.67303672258335 0.42794958678105 15.999 > 5 81 O 0.83333333333333 0.67303672258335 0.42794958678105 15.999 > 5 82 O 0.16666666666667 0.00637005591668 0.92794958678105 15.999 > 5 83 O 0.50000000000000 0.00637005591668 0.92794958678105 15.999 > 5 84 O 0.83333333333333 0.00637005591668 0.92794958678105 15.999 > 5 85 O 0.16666666666667 0.33970338925001 0.92794958678105 15.999 > 5 86 O 0.50000000000000 0.33970338925001 0.92794958678105 15.999 > 5 87 O 0.83333333333333 0.33970338925001 0.92794958678105 15.999 > 5 88 O 0.16666666666667 0.67303672258335 0.92794958678105 15.999 > 5 89 O 0.50000000000000 0.67303672258335 0.92794958678105 15.999 > 5 90 O 0.83333333333333 0.67303672258335 0.92794958678105 15.999 > 5 *91 O 0.00000000000000 0.17438324612963 0.30874320563726 15.999 > 6 92 O 0.33333333333333 0.17438324612963 0.30874320563726 15.999 > 6 93 O 0.66666666666667 0.17438324612963 0.30874320563726 15.999 > 6 94 O 0.00000000000000 0.50771657946297 0.30874320563726 15.999 > 6 95 O 0.33333333333333 0.50771657946297 0.30874320563726 15.999 > 6 96 O 0.66666666666667 0.50771657946297 0.30874320563726 15.999 > 6 97 O 0.00000000000000 0.84104991279630 0.30874320563726 15.999 > 6 98 O 0.33333333333333 0.84104991279630 0.30874320563726 15.999 > 6 99 O 0.66666666666667 0.84104991279630 0.30874320563726 15.999 > 6 100 O 0.00000000000000 0.17438324612963 0.80874320563726 15.999 > 6 101 O 0.33333333333333 0.17438324612963 0.80874320563726 15.999 > 6 102 O 0.66666666666667 0.17438324612963 0.80874320563726 15.999 > 6 103 O 0.00000000000000 0.50771657946297 0.80874320563726 15.999 > 6 104 O 0.33333333333333 0.50771657946297 0.80874320563726 15.999 > 6 105 O 0.66666666666667 0.50771657946297 0.80874320563726 15.999 > 6 106 O 0.00000000000000 0.84104991279630 0.80874320563726 15.999 > 6 107 O 0.33333333333333 0.84104991279630 0.80874320563726 15.999 > 6 108 O 0.66666666666667 0.84104991279630 0.80874320563726 15.999 > 6 109 O 0.00000000000000 0.32696327741665 0.17794958678105 15.999 > 7 110 O 0.33333333333333 0.32696327741665 0.17794958678105 15.999 > 7 111 O 0.66666666666667 0.32696327741665 0.17794958678105 15.999 > 7 112 O 0.00000000000000 0.66029661074999 0.17794958678105 15.999 > 7 113 O 0.33333333333333 0.66029661074999 0.17794958678105 15.999 > 7 114 O 0.66666666666667 0.66029661074999 0.17794958678105 15.999 > 7 115 O 0.00000000000000 0.99362994408332 0.17794958678105 15.999 > 7 116 O 0.33333333333333 0.99362994408332 0.17794958678105 15.999 > 7 117 O 0.66666666666667 0.99362994408332 0.17794958678105 15.999 > 7 118 O 0.00000000000000 0.32696327741665 0.67794958678105 15.999 > 7 119 O 0.33333333333333 0.32696327741665 0.67794958678105 15.999 > 7 120 O 0.66666666666667 0.32696327741665 0.67794958678105 15.999 > 7 121 O 0.00000000000000 0.66029661074999 0.67794958678105 15.999 > 7 122 O 0.33333333333333 0.66029661074999 0.67794958678105 15.999 > 7 123 O 0.66666666666667 0.66029661074999 0.67794958678105 15.999 > 7 124 O 0.00000000000000 0.99362994408332 0.67794958678105 15.999 > 7 125 O 0.33333333333333 0.99362994408332 0.67794958678105 15.999 > 7 126 O 0.66666666666667 0.99362994408332 0.67794958678105 15.999 > 7 127 O 0.16666666666667 0.15895008720370 0.05874320563726 15.999 > 8 128 O 0.50000000000000 0.15895008720370 0.05874320563726 15.999 > 8 129 O 0.83333333333333 0.15895008720370 0.05874320563726 15.999 > 8 130 O 0.16666666666667 0.49228342053703 0.05874320563726 15.999 > 8 131 O 0.50000000000000 0.49228342053703 0.05874320563726 15.999 > 8 132 O 0.83333333333333 0.49228342053703 0.05874320563726 15.999 > 8 133 O 0.16666666666667 0.82561675387037 0.05874320563726 15.999 > 8 134 O 0.50000000000000 0.82561675387037 0.05874320563726 15.999 > 8 135 O 0.83333333333333 0.82561675387037 0.05874320563726 15.999 > 8 136 O 0.16666666666667 0.15895008720370 0.55874320563726 15.999 > 8 137 O 0.50000000000000 0.15895008720370 0.55874320563726 15.999 > 8 138 O 0.83333333333333 0.15895008720370 0.55874320563726 15.999 > 8 139 O 0.16666666666667 0.49228342053703 0.55874320563726 15.999 > 8 140 O 0.50000000000000 0.49228342053703 0.55874320563726 15.999 > 8 141 O 0.83333333333333 0.49228342053703 0.55874320563726 15.999 > 8 142 O 0.16666666666667 0.82561675387037 0.55874320563726 15.999 > 8 143 O 0.50000000000000 0.82561675387037 0.55874320563726 15.999 > 8 144 O 0.83333333333333 0.82561675387037 0.55874320563726 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8187948 0.0000000 0.0000000 0.0000000 3.6672587 0.0000000 0.0000000 0.0000000 3.7676778 -------------------------- Born effective charges -------------------------- 1 Dy 4.1747541 0.0000000 0.0000000 0.0000000 3.4608835 0.1972047 0.0000000 0.1030518 3.8824174 2 Dy 4.1747541 0.0000000 0.0000000 0.0000000 3.4608835 -0.1972047 0.0000000 -0.1030518 3.8824174 3 H 0.2195919 0.0000000 0.0000000 0.0000000 1.3629666 0.7113155 0.0000000 0.6540909 0.6783170 4 H 0.2195919 0.0000000 0.0000000 0.0000000 1.3629666 -0.7113155 0.0000000 -0.6540909 0.6783170 5 O -1.8888972 0.0000000 0.0000000 0.0000000 -2.4725887 0.1949077 0.0000000 0.1946374 -1.9876692 6 O -2.5054488 0.0000000 0.0000000 0.0000000 -2.3512614 -0.4059116 0.0000000 -0.4590687 -2.5730652 7 O -1.8888972 0.0000000 0.0000000 0.0000000 -2.4725887 -0.1949077 0.0000000 -0.1946374 -1.9876692 8 O -2.5054488 0.0000000 0.0000000 0.0000000 -2.3512614 0.4059116 0.0000000 0.4590687 -2.5730652 ---------------------------------------------------------------------------- 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: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 2.157 Solver_block: 200 / 240 - Time: 2.193 Solver_block: 240 / 240 - Time: 0.948 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.333 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 03:25:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:25:52]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.472751520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.790904350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.408120700000000 Atomic positions (fractional): 1 Dy 0.00000000000000 0.72418676365736 0.98403316810507 162.500 2 Dy 0.50000000000000 0.27581323634264 0.48403316810507 162.500 3 H 0.50000000000000 0.19611700240205 0.96535725705830 1.008 4 H 0.00000000000000 0.80388299759795 0.46535725705830 1.008 5 O 0.50000000000000 0.01911016775004 0.85589917356211 15.999 6 O 0.00000000000000 0.52314973838890 0.61748641127452 15.999 7 O 0.00000000000000 0.98088983224996 0.35589917356210 15.999 8 O 0.50000000000000 0.47685026161110 0.11748641127452 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.418254560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.372713050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.816241399999999 Atomic positions (fractional): 1 Dy 0.00000000000000 0.24139558788578 0.49201658405253 162.500 > 1 2 Dy 0.33333333333333 0.24139558788578 0.49201658405253 162.500 > 1 3 Dy 0.66666666666667 0.24139558788578 0.49201658405253 162.500 > 1 4 Dy 0.00000000000000 0.57472892121912 0.49201658405253 162.500 > 1 5 Dy 0.33333333333333 0.57472892121912 0.49201658405253 162.500 > 1 6 Dy 0.66666666666667 0.57472892121912 0.49201658405253 162.500 > 1 7 Dy 0.00000000000000 0.90806225455245 0.49201658405253 162.500 > 1 8 Dy 0.33333333333333 0.90806225455245 0.49201658405253 162.500 > 1 9 Dy 0.66666666666667 0.90806225455245 0.49201658405253 162.500 > 1 10 Dy 0.00000000000000 0.24139558788578 0.99201658405253 162.500 > 1 11 Dy 0.33333333333333 0.24139558788578 0.99201658405253 162.500 > 1 12 Dy 0.66666666666667 0.24139558788578 0.99201658405253 162.500 > 1 13 Dy 0.00000000000000 0.57472892121912 0.99201658405253 162.500 > 1 14 Dy 0.33333333333333 0.57472892121912 0.99201658405253 162.500 > 1 15 Dy 0.66666666666667 0.57472892121912 0.99201658405253 162.500 > 1 16 Dy 0.00000000000000 0.90806225455245 0.99201658405253 162.500 > 1 17 Dy 0.33333333333333 0.90806225455245 0.99201658405253 162.500 > 1 18 Dy 0.66666666666667 0.90806225455245 0.99201658405253 162.500 > 1 19 Dy 0.16666666666667 0.09193774544755 0.24201658405253 162.500 > 19 20 Dy 0.50000000000000 0.09193774544755 0.24201658405253 162.500 > 19 21 Dy 0.83333333333333 0.09193774544755 0.24201658405253 162.500 > 19 22 Dy 0.16666666666667 0.42527107878088 0.24201658405253 162.500 > 19 23 Dy 0.50000000000000 0.42527107878088 0.24201658405253 162.500 > 19 24 Dy 0.83333333333333 0.42527107878088 0.24201658405253 162.500 > 19 25 Dy 0.16666666666667 0.75860441211421 0.24201658405253 162.500 > 19 26 Dy 0.50000000000000 0.75860441211421 0.24201658405253 162.500 > 19 27 Dy 0.83333333333333 0.75860441211421 0.24201658405253 162.500 > 19 28 Dy 0.16666666666667 0.09193774544755 0.74201658405253 162.500 > 19 29 Dy 0.50000000000000 0.09193774544755 0.74201658405253 162.500 > 19 30 Dy 0.83333333333333 0.09193774544755 0.74201658405253 162.500 > 19 31 Dy 0.16666666666667 0.42527107878088 0.74201658405253 162.500 > 19 32 Dy 0.50000000000000 0.42527107878088 0.74201658405253 162.500 > 19 33 Dy 0.83333333333333 0.42527107878088 0.74201658405253 162.500 > 19 34 Dy 0.16666666666667 0.75860441211421 0.74201658405253 162.500 > 19 35 Dy 0.50000000000000 0.75860441211421 0.74201658405253 162.500 > 19 36 Dy 0.83333333333333 0.75860441211421 0.74201658405253 162.500 > 19 37 H 0.16666666666667 0.06537233413402 0.48267862852915 1.008 > 37 38 H 0.50000000000000 0.06537233413402 0.48267862852915 1.008 > 37 39 H 0.83333333333333 0.06537233413402 0.48267862852915 1.008 > 37 40 H 0.16666666666667 0.39870566746735 0.48267862852915 1.008 > 37 41 H 0.50000000000000 0.39870566746735 0.48267862852915 1.008 > 37 42 H 0.83333333333333 0.39870566746735 0.48267862852915 1.008 > 37 43 H 0.16666666666667 0.73203900080068 0.48267862852915 1.008 > 37 44 H 0.50000000000000 0.73203900080068 0.48267862852915 1.008 > 37 45 H 0.83333333333333 0.73203900080068 0.48267862852915 1.008 > 37 46 H 0.16666666666667 0.06537233413402 0.98267862852915 1.008 > 37 47 H 0.50000000000000 0.06537233413402 0.98267862852915 1.008 > 37 48 H 0.83333333333333 0.06537233413402 0.98267862852915 1.008 > 37 49 H 0.16666666666667 0.39870566746735 0.98267862852915 1.008 > 37 50 H 0.50000000000000 0.39870566746735 0.98267862852915 1.008 > 37 51 H 0.83333333333333 0.39870566746735 0.98267862852915 1.008 > 37 52 H 0.16666666666667 0.73203900080068 0.98267862852915 1.008 > 37 53 H 0.50000000000000 0.73203900080068 0.98267862852915 1.008 > 37 54 H 0.83333333333333 0.73203900080068 0.98267862852915 1.008 > 37 55 H 0.00000000000000 0.26796099919932 0.23267862852915 1.008 > 55 56 H 0.33333333333333 0.26796099919932 0.23267862852915 1.008 > 55 57 H 0.66666666666667 0.26796099919932 0.23267862852915 1.008 > 55 58 H 0.00000000000000 0.60129433253265 0.23267862852915 1.008 > 55 59 H 0.33333333333333 0.60129433253265 0.23267862852915 1.008 > 55 60 H 0.66666666666667 0.60129433253265 0.23267862852915 1.008 > 55 61 H 0.00000000000000 0.93462766586598 0.23267862852915 1.008 > 55 62 H 0.33333333333333 0.93462766586598 0.23267862852915 1.008 > 55 63 H 0.66666666666667 0.93462766586598 0.23267862852915 1.008 > 55 64 H 0.00000000000000 0.26796099919932 0.73267862852915 1.008 > 55 65 H 0.33333333333333 0.26796099919932 0.73267862852915 1.008 > 55 66 H 0.66666666666667 0.26796099919932 0.73267862852915 1.008 > 55 67 H 0.00000000000000 0.60129433253265 0.73267862852915 1.008 > 55 68 H 0.33333333333333 0.60129433253265 0.73267862852915 1.008 > 55 69 H 0.66666666666667 0.60129433253265 0.73267862852915 1.008 > 55 70 H 0.00000000000000 0.93462766586598 0.73267862852915 1.008 > 55 71 H 0.33333333333333 0.93462766586598 0.73267862852915 1.008 > 55 72 H 0.66666666666667 0.93462766586598 0.73267862852915 1.008 > 55 73 O 0.16666666666667 0.00637005591668 0.42794958678105 15.999 > 73 74 O 0.50000000000000 0.00637005591668 0.42794958678105 15.999 > 73 75 O 0.83333333333333 0.00637005591668 0.42794958678105 15.999 > 73 76 O 0.16666666666667 0.33970338925001 0.42794958678105 15.999 > 73 77 O 0.50000000000000 0.33970338925001 0.42794958678105 15.999 > 73 78 O 0.83333333333333 0.33970338925001 0.42794958678105 15.999 > 73 79 O 0.16666666666667 0.67303672258335 0.42794958678105 15.999 > 73 80 O 0.50000000000000 0.67303672258335 0.42794958678105 15.999 > 73 81 O 0.83333333333333 0.67303672258335 0.42794958678105 15.999 > 73 82 O 0.16666666666667 0.00637005591668 0.92794958678105 15.999 > 73 83 O 0.50000000000000 0.00637005591668 0.92794958678105 15.999 > 73 84 O 0.83333333333333 0.00637005591668 0.92794958678105 15.999 > 73 85 O 0.16666666666667 0.33970338925001 0.92794958678105 15.999 > 73 86 O 0.50000000000000 0.33970338925001 0.92794958678105 15.999 > 73 87 O 0.83333333333333 0.33970338925001 0.92794958678105 15.999 > 73 88 O 0.16666666666667 0.67303672258335 0.92794958678105 15.999 > 73 89 O 0.50000000000000 0.67303672258335 0.92794958678105 15.999 > 73 90 O 0.83333333333333 0.67303672258335 0.92794958678105 15.999 > 73 91 O 0.00000000000000 0.17438324612963 0.30874320563726 15.999 > 91 92 O 0.33333333333333 0.17438324612963 0.30874320563726 15.999 > 91 93 O 0.66666666666667 0.17438324612963 0.30874320563726 15.999 > 91 94 O 0.00000000000000 0.50771657946297 0.30874320563726 15.999 > 91 95 O 0.33333333333333 0.50771657946297 0.30874320563726 15.999 > 91 96 O 0.66666666666667 0.50771657946297 0.30874320563726 15.999 > 91 97 O 0.00000000000000 0.84104991279630 0.30874320563726 15.999 > 91 98 O 0.33333333333333 0.84104991279630 0.30874320563726 15.999 > 91 99 O 0.66666666666667 0.84104991279630 0.30874320563726 15.999 > 91 100 O 0.00000000000000 0.17438324612963 0.80874320563726 15.999 > 91 101 O 0.33333333333333 0.17438324612963 0.80874320563726 15.999 > 91 102 O 0.66666666666667 0.17438324612963 0.80874320563726 15.999 > 91 103 O 0.00000000000000 0.50771657946297 0.80874320563726 15.999 > 91 104 O 0.33333333333333 0.50771657946297 0.80874320563726 15.999 > 91 105 O 0.66666666666667 0.50771657946297 0.80874320563726 15.999 > 91 106 O 0.00000000000000 0.84104991279630 0.80874320563726 15.999 > 91 107 O 0.33333333333333 0.84104991279630 0.80874320563726 15.999 > 91 108 O 0.66666666666667 0.84104991279630 0.80874320563726 15.999 > 91 109 O 0.00000000000000 0.32696327741665 0.17794958678105 15.999 > 109 110 O 0.33333333333333 0.32696327741665 0.17794958678105 15.999 > 109 111 O 0.66666666666667 0.32696327741665 0.17794958678105 15.999 > 109 112 O 0.00000000000000 0.66029661074999 0.17794958678105 15.999 > 109 113 O 0.33333333333333 0.66029661074999 0.17794958678105 15.999 > 109 114 O 0.66666666666667 0.66029661074999 0.17794958678105 15.999 > 109 115 O 0.00000000000000 0.99362994408332 0.17794958678105 15.999 > 109 116 O 0.33333333333333 0.99362994408332 0.17794958678105 15.999 > 109 117 O 0.66666666666667 0.99362994408332 0.17794958678105 15.999 > 109 118 O 0.00000000000000 0.32696327741665 0.67794958678105 15.999 > 109 119 O 0.33333333333333 0.32696327741665 0.67794958678105 15.999 > 109 120 O 0.66666666666667 0.32696327741665 0.67794958678105 15.999 > 109 121 O 0.00000000000000 0.66029661074999 0.67794958678105 15.999 > 109 122 O 0.33333333333333 0.66029661074999 0.67794958678105 15.999 > 109 123 O 0.66666666666667 0.66029661074999 0.67794958678105 15.999 > 109 124 O 0.00000000000000 0.99362994408332 0.67794958678105 15.999 > 109 125 O 0.33333333333333 0.99362994408332 0.67794958678105 15.999 > 109 126 O 0.66666666666667 0.99362994408332 0.67794958678105 15.999 > 109 127 O 0.16666666666667 0.15895008720370 0.05874320563726 15.999 > 127 128 O 0.50000000000000 0.15895008720370 0.05874320563726 15.999 > 127 129 O 0.83333333333333 0.15895008720370 0.05874320563726 15.999 > 127 130 O 0.16666666666667 0.49228342053703 0.05874320563726 15.999 > 127 131 O 0.50000000000000 0.49228342053703 0.05874320563726 15.999 > 127 132 O 0.83333333333333 0.49228342053703 0.05874320563726 15.999 > 127 133 O 0.16666666666667 0.82561675387037 0.05874320563726 15.999 > 127 134 O 0.50000000000000 0.82561675387037 0.05874320563726 15.999 > 127 135 O 0.83333333333333 0.82561675387037 0.05874320563726 15.999 > 127 136 O 0.16666666666667 0.15895008720370 0.55874320563726 15.999 > 127 137 O 0.50000000000000 0.15895008720370 0.55874320563726 15.999 > 127 138 O 0.83333333333333 0.15895008720370 0.55874320563726 15.999 > 127 139 O 0.16666666666667 0.49228342053703 0.55874320563726 15.999 > 127 140 O 0.50000000000000 0.49228342053703 0.55874320563726 15.999 > 127 141 O 0.83333333333333 0.49228342053703 0.55874320563726 15.999 > 127 142 O 0.16666666666667 0.82561675387037 0.55874320563726 15.999 > 127 143 O 0.50000000000000 0.82561675387037 0.55874320563726 15.999 > 127 144 O 0.83333333333333 0.82561675387037 0.55874320563726 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8187948 0.0000000 0.0000000 0.0000000 3.6672587 0.0000000 0.0000000 0.0000000 3.7676778 -------------------------- Born effective charges -------------------------- 1 Dy 4.1747541 0.0000000 0.0000000 0.0000000 3.4608835 0.1972047 0.0000000 0.1030518 3.8824174 2 Dy 4.1747541 0.0000000 0.0000000 0.0000000 3.4608835 -0.1972047 0.0000000 -0.1030518 3.8824174 3 H 0.2195919 0.0000000 0.0000000 0.0000000 1.3629666 0.7113155 0.0000000 0.6540909 0.6783170 4 H 0.2195919 0.0000000 0.0000000 0.0000000 1.3629666 -0.7113155 0.0000000 -0.6540909 0.6783170 5 O -1.8888972 0.0000000 0.0000000 0.0000000 -2.4725887 0.1949077 0.0000000 0.1946374 -1.9876692 6 O -2.5054488 0.0000000 0.0000000 0.0000000 -2.3512614 -0.4059116 0.0000000 -0.4590687 -2.5730652 7 O -1.8888972 0.0000000 0.0000000 0.0000000 -2.4725887 -0.1949077 0.0000000 -0.1946374 -1.9876692 8 O -2.5054488 0.0000000 0.0000000 0.0000000 -2.3512614 0.4059116 0.0000000 0.4590687 -2.5730652 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-09 03:26:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:26:12]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.472751520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.790904350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.408120700000000 Atomic positions (fractional): 1 Dy 0.00000000000000 0.72418676365736 0.98403316810507 162.500 2 Dy 0.50000000000000 0.27581323634264 0.48403316810507 162.500 3 H 0.50000000000000 0.19611700240205 0.96535725705830 1.008 4 H 0.00000000000000 0.80388299759795 0.46535725705830 1.008 5 O 0.50000000000000 0.01911016775004 0.85589917356211 15.999 6 O 0.00000000000000 0.52314973838890 0.61748641127452 15.999 7 O 0.00000000000000 0.98088983224996 0.35589917356210 15.999 8 O 0.50000000000000 0.47685026161110 0.11748641127452 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.418254560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.372713050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.816241399999999 Atomic positions (fractional): 1 Dy 0.00000000000000 0.24139558788578 0.49201658405253 162.500 > 1 2 Dy 0.33333333333333 0.24139558788578 0.49201658405253 162.500 > 1 3 Dy 0.66666666666667 0.24139558788578 0.49201658405253 162.500 > 1 4 Dy 0.00000000000000 0.57472892121912 0.49201658405253 162.500 > 1 5 Dy 0.33333333333333 0.57472892121912 0.49201658405253 162.500 > 1 6 Dy 0.66666666666667 0.57472892121912 0.49201658405253 162.500 > 1 7 Dy 0.00000000000000 0.90806225455245 0.49201658405253 162.500 > 1 8 Dy 0.33333333333333 0.90806225455245 0.49201658405253 162.500 > 1 9 Dy 0.66666666666667 0.90806225455245 0.49201658405253 162.500 > 1 10 Dy 0.00000000000000 0.24139558788578 0.99201658405253 162.500 > 1 11 Dy 0.33333333333333 0.24139558788578 0.99201658405253 162.500 > 1 12 Dy 0.66666666666667 0.24139558788578 0.99201658405253 162.500 > 1 13 Dy 0.00000000000000 0.57472892121912 0.99201658405253 162.500 > 1 14 Dy 0.33333333333333 0.57472892121912 0.99201658405253 162.500 > 1 15 Dy 0.66666666666667 0.57472892121912 0.99201658405253 162.500 > 1 16 Dy 0.00000000000000 0.90806225455245 0.99201658405253 162.500 > 1 17 Dy 0.33333333333333 0.90806225455245 0.99201658405253 162.500 > 1 18 Dy 0.66666666666667 0.90806225455245 0.99201658405253 162.500 > 1 19 Dy 0.16666666666667 0.09193774544755 0.24201658405253 162.500 > 19 20 Dy 0.50000000000000 0.09193774544755 0.24201658405253 162.500 > 19 21 Dy 0.83333333333333 0.09193774544755 0.24201658405253 162.500 > 19 22 Dy 0.16666666666667 0.42527107878088 0.24201658405253 162.500 > 19 23 Dy 0.50000000000000 0.42527107878088 0.24201658405253 162.500 > 19 24 Dy 0.83333333333333 0.42527107878088 0.24201658405253 162.500 > 19 25 Dy 0.16666666666667 0.75860441211421 0.24201658405253 162.500 > 19 26 Dy 0.50000000000000 0.75860441211421 0.24201658405253 162.500 > 19 27 Dy 0.83333333333333 0.75860441211421 0.24201658405253 162.500 > 19 28 Dy 0.16666666666667 0.09193774544755 0.74201658405253 162.500 > 19 29 Dy 0.50000000000000 0.09193774544755 0.74201658405253 162.500 > 19 30 Dy 0.83333333333333 0.09193774544755 0.74201658405253 162.500 > 19 31 Dy 0.16666666666667 0.42527107878088 0.74201658405253 162.500 > 19 32 Dy 0.50000000000000 0.42527107878088 0.74201658405253 162.500 > 19 33 Dy 0.83333333333333 0.42527107878088 0.74201658405253 162.500 > 19 34 Dy 0.16666666666667 0.75860441211421 0.74201658405253 162.500 > 19 35 Dy 0.50000000000000 0.75860441211421 0.74201658405253 162.500 > 19 36 Dy 0.83333333333333 0.75860441211421 0.74201658405253 162.500 > 19 37 H 0.16666666666667 0.06537233413402 0.48267862852915 1.008 > 37 38 H 0.50000000000000 0.06537233413402 0.48267862852915 1.008 > 37 39 H 0.83333333333333 0.06537233413402 0.48267862852915 1.008 > 37 40 H 0.16666666666667 0.39870566746735 0.48267862852915 1.008 > 37 41 H 0.50000000000000 0.39870566746735 0.48267862852915 1.008 > 37 42 H 0.83333333333333 0.39870566746735 0.48267862852915 1.008 > 37 43 H 0.16666666666667 0.73203900080068 0.48267862852915 1.008 > 37 44 H 0.50000000000000 0.73203900080068 0.48267862852915 1.008 > 37 45 H 0.83333333333333 0.73203900080068 0.48267862852915 1.008 > 37 46 H 0.16666666666667 0.06537233413402 0.98267862852915 1.008 > 37 47 H 0.50000000000000 0.06537233413402 0.98267862852915 1.008 > 37 48 H 0.83333333333333 0.06537233413402 0.98267862852915 1.008 > 37 49 H 0.16666666666667 0.39870566746735 0.98267862852915 1.008 > 37 50 H 0.50000000000000 0.39870566746735 0.98267862852915 1.008 > 37 51 H 0.83333333333333 0.39870566746735 0.98267862852915 1.008 > 37 52 H 0.16666666666667 0.73203900080068 0.98267862852915 1.008 > 37 53 H 0.50000000000000 0.73203900080068 0.98267862852915 1.008 > 37 54 H 0.83333333333333 0.73203900080068 0.98267862852915 1.008 > 37 55 H 0.00000000000000 0.26796099919932 0.23267862852915 1.008 > 55 56 H 0.33333333333333 0.26796099919932 0.23267862852915 1.008 > 55 57 H 0.66666666666667 0.26796099919932 0.23267862852915 1.008 > 55 58 H 0.00000000000000 0.60129433253265 0.23267862852915 1.008 > 55 59 H 0.33333333333333 0.60129433253265 0.23267862852915 1.008 > 55 60 H 0.66666666666667 0.60129433253265 0.23267862852915 1.008 > 55 61 H 0.00000000000000 0.93462766586598 0.23267862852915 1.008 > 55 62 H 0.33333333333333 0.93462766586598 0.23267862852915 1.008 > 55 63 H 0.66666666666667 0.93462766586598 0.23267862852915 1.008 > 55 64 H 0.00000000000000 0.26796099919932 0.73267862852915 1.008 > 55 65 H 0.33333333333333 0.26796099919932 0.73267862852915 1.008 > 55 66 H 0.66666666666667 0.26796099919932 0.73267862852915 1.008 > 55 67 H 0.00000000000000 0.60129433253265 0.73267862852915 1.008 > 55 68 H 0.33333333333333 0.60129433253265 0.73267862852915 1.008 > 55 69 H 0.66666666666667 0.60129433253265 0.73267862852915 1.008 > 55 70 H 0.00000000000000 0.93462766586598 0.73267862852915 1.008 > 55 71 H 0.33333333333333 0.93462766586598 0.73267862852915 1.008 > 55 72 H 0.66666666666667 0.93462766586598 0.73267862852915 1.008 > 55 73 O 0.16666666666667 0.00637005591668 0.42794958678105 15.999 > 73 74 O 0.50000000000000 0.00637005591668 0.42794958678105 15.999 > 73 75 O 0.83333333333333 0.00637005591668 0.42794958678105 15.999 > 73 76 O 0.16666666666667 0.33970338925001 0.42794958678105 15.999 > 73 77 O 0.50000000000000 0.33970338925001 0.42794958678105 15.999 > 73 78 O 0.83333333333333 0.33970338925001 0.42794958678105 15.999 > 73 79 O 0.16666666666667 0.67303672258335 0.42794958678105 15.999 > 73 80 O 0.50000000000000 0.67303672258335 0.42794958678105 15.999 > 73 81 O 0.83333333333333 0.67303672258335 0.42794958678105 15.999 > 73 82 O 0.16666666666667 0.00637005591668 0.92794958678105 15.999 > 73 83 O 0.50000000000000 0.00637005591668 0.92794958678105 15.999 > 73 84 O 0.83333333333333 0.00637005591668 0.92794958678105 15.999 > 73 85 O 0.16666666666667 0.33970338925001 0.92794958678105 15.999 > 73 86 O 0.50000000000000 0.33970338925001 0.92794958678105 15.999 > 73 87 O 0.83333333333333 0.33970338925001 0.92794958678105 15.999 > 73 88 O 0.16666666666667 0.67303672258335 0.92794958678105 15.999 > 73 89 O 0.50000000000000 0.67303672258335 0.92794958678105 15.999 > 73 90 O 0.83333333333333 0.67303672258335 0.92794958678105 15.999 > 73 91 O 0.00000000000000 0.17438324612963 0.30874320563726 15.999 > 91 92 O 0.33333333333333 0.17438324612963 0.30874320563726 15.999 > 91 93 O 0.66666666666667 0.17438324612963 0.30874320563726 15.999 > 91 94 O 0.00000000000000 0.50771657946297 0.30874320563726 15.999 > 91 95 O 0.33333333333333 0.50771657946297 0.30874320563726 15.999 > 91 96 O 0.66666666666667 0.50771657946297 0.30874320563726 15.999 > 91 97 O 0.00000000000000 0.84104991279630 0.30874320563726 15.999 > 91 98 O 0.33333333333333 0.84104991279630 0.30874320563726 15.999 > 91 99 O 0.66666666666667 0.84104991279630 0.30874320563726 15.999 > 91 100 O 0.00000000000000 0.17438324612963 0.80874320563726 15.999 > 91 101 O 0.33333333333333 0.17438324612963 0.80874320563726 15.999 > 91 102 O 0.66666666666667 0.17438324612963 0.80874320563726 15.999 > 91 103 O 0.00000000000000 0.50771657946297 0.80874320563726 15.999 > 91 104 O 0.33333333333333 0.50771657946297 0.80874320563726 15.999 > 91 105 O 0.66666666666667 0.50771657946297 0.80874320563726 15.999 > 91 106 O 0.00000000000000 0.84104991279630 0.80874320563726 15.999 > 91 107 O 0.33333333333333 0.84104991279630 0.80874320563726 15.999 > 91 108 O 0.66666666666667 0.84104991279630 0.80874320563726 15.999 > 91 109 O 0.00000000000000 0.32696327741665 0.17794958678105 15.999 > 109 110 O 0.33333333333333 0.32696327741665 0.17794958678105 15.999 > 109 111 O 0.66666666666667 0.32696327741665 0.17794958678105 15.999 > 109 112 O 0.00000000000000 0.66029661074999 0.17794958678105 15.999 > 109 113 O 0.33333333333333 0.66029661074999 0.17794958678105 15.999 > 109 114 O 0.66666666666667 0.66029661074999 0.17794958678105 15.999 > 109 115 O 0.00000000000000 0.99362994408332 0.17794958678105 15.999 > 109 116 O 0.33333333333333 0.99362994408332 0.17794958678105 15.999 > 109 117 O 0.66666666666667 0.99362994408332 0.17794958678105 15.999 > 109 118 O 0.00000000000000 0.32696327741665 0.67794958678105 15.999 > 109 119 O 0.33333333333333 0.32696327741665 0.67794958678105 15.999 > 109 120 O 0.66666666666667 0.32696327741665 0.67794958678105 15.999 > 109 121 O 0.00000000000000 0.66029661074999 0.67794958678105 15.999 > 109 122 O 0.33333333333333 0.66029661074999 0.67794958678105 15.999 > 109 123 O 0.66666666666667 0.66029661074999 0.67794958678105 15.999 > 109 124 O 0.00000000000000 0.99362994408332 0.67794958678105 15.999 > 109 125 O 0.33333333333333 0.99362994408332 0.67794958678105 15.999 > 109 126 O 0.66666666666667 0.99362994408332 0.67794958678105 15.999 > 109 127 O 0.16666666666667 0.15895008720370 0.05874320563726 15.999 > 127 128 O 0.50000000000000 0.15895008720370 0.05874320563726 15.999 > 127 129 O 0.83333333333333 0.15895008720370 0.05874320563726 15.999 > 127 130 O 0.16666666666667 0.49228342053703 0.05874320563726 15.999 > 127 131 O 0.50000000000000 0.49228342053703 0.05874320563726 15.999 > 127 132 O 0.83333333333333 0.49228342053703 0.05874320563726 15.999 > 127 133 O 0.16666666666667 0.82561675387037 0.05874320563726 15.999 > 127 134 O 0.50000000000000 0.82561675387037 0.05874320563726 15.999 > 127 135 O 0.83333333333333 0.82561675387037 0.05874320563726 15.999 > 127 136 O 0.16666666666667 0.15895008720370 0.55874320563726 15.999 > 127 137 O 0.50000000000000 0.15895008720370 0.55874320563726 15.999 > 127 138 O 0.83333333333333 0.15895008720370 0.55874320563726 15.999 > 127 139 O 0.16666666666667 0.49228342053703 0.55874320563726 15.999 > 127 140 O 0.50000000000000 0.49228342053703 0.55874320563726 15.999 > 127 141 O 0.83333333333333 0.49228342053703 0.55874320563726 15.999 > 127 142 O 0.16666666666667 0.82561675387037 0.55874320563726 15.999 > 127 143 O 0.50000000000000 0.82561675387037 0.55874320563726 15.999 > 127 144 O 0.83333333333333 0.82561675387037 0.55874320563726 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8187948 0.0000000 0.0000000 0.0000000 3.6672587 0.0000000 0.0000000 0.0000000 3.7676778 -------------------------- Born effective charges -------------------------- 1 Dy 4.1747541 0.0000000 0.0000000 0.0000000 3.4608835 0.1972047 0.0000000 0.1030518 3.8824174 2 Dy 4.1747541 0.0000000 0.0000000 0.0000000 3.4608835 -0.1972047 0.0000000 -0.1030518 3.8824174 3 H 0.2195919 0.0000000 0.0000000 0.0000000 1.3629666 0.7113155 0.0000000 0.6540909 0.6783170 4 H 0.2195919 0.0000000 0.0000000 0.0000000 1.3629666 -0.7113155 0.0000000 -0.6540909 0.6783170 5 O -1.8888972 0.0000000 0.0000000 0.0000000 -2.4725887 0.1949077 0.0000000 0.1946374 -1.9876692 6 O -2.5054488 0.0000000 0.0000000 0.0000000 -2.3512614 -0.4059116 0.0000000 -0.4590687 -2.5730652 7 O -1.8888972 0.0000000 0.0000000 0.0000000 -2.4725887 -0.1949077 0.0000000 -0.1946374 -1.9876692 8 O -2.5054488 0.0000000 0.0000000 0.0000000 -2.3512614 0.4059116 0.0000000 0.4590687 -2.5730652 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 14 10 9 ] 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: 0.93, Number of G-points: 301, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/240) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 -0.000) 0.000 7.048 ( 0.000 0.000 -0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 12.927 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 17.586 ( 0.000 0.000 0.000) 0.000 29.385 ( 0.000 0.000 0.000) 0.000 30.225 ( 0.000 0.000 -0.000) 0.000 33.730 ( 0.000 0.000 0.000) 0.000 34.629 ( 0.000 0.000 0.000) 0.000 77.586 ( 0.000 0.000 -0.000) 0.000 77.772 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/240) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 26.481 0.000 0.000) 26.481 0.592 ( 28.264 0.000 0.000) 28.264 1.169 ( 56.078 0.000 0.000) 56.078 2.847 ( 25.191 0.000 0.000) 25.191 3.213 ( 0.363 0.000 0.000) 0.363 4.632 ( -2.884 0.000 0.000) 2.884 6.735 ( 1.686 0.000 0.000) 1.686 7.065 ( 1.576 0.000 0.000) 1.576 8.437 ( 10.635 0.000 0.000) 10.635 9.350 ( -0.247 0.000 0.000) 0.247 9.992 ( -2.216 0.000 0.000) 2.216 10.480 ( -8.529 0.000 0.000) 8.529 11.310 ( 2.488 0.000 0.000) 2.488 11.687 ( 9.471 0.000 0.000) 9.471 12.891 ( -3.318 0.000 0.000) 3.318 14.188 ( -2.539 0.000 0.000) 2.539 15.550 ( -2.095 0.000 0.000) 2.095 17.497 ( -8.475 0.000 0.000) 8.475 29.443 ( 5.597 0.000 0.000) 5.597 30.856 ( 1.461 0.000 0.000) 1.461 33.732 ( 0.211 0.000 0.000) 0.211 34.612 ( -1.644 0.000 0.000) 1.644 77.577 ( -0.866 0.000 0.000) 0.866 77.760 ( -1.053 0.000 0.000) 1.053 ======================= Grid point 2 (3/240) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 24.063 0.000 0.000) 24.063 1.151 ( 25.813 0.000 0.000) 25.813 2.280 ( 50.552 0.000 0.000) 50.552 3.240 ( 3.378 0.000 0.000) 3.378 3.489 ( 34.362 0.000 0.000) 34.362 4.549 ( -4.758 0.000 0.000) 4.758 6.781 ( 2.643 0.000 0.000) 2.643 7.113 ( 3.096 0.000 0.000) 3.096 8.699 ( 12.875 0.000 0.000) 12.875 9.351 ( 0.509 0.000 0.000) 0.509 9.940 ( -2.404 0.000 0.000) 2.404 10.323 ( -4.969 0.000 0.000) 4.969 11.372 ( 3.216 0.000 0.000) 3.216 11.902 ( 10.472 0.000 0.000) 10.472 12.799 ( -5.288 0.000 0.000) 5.288 14.113 ( -4.711 0.000 0.000) 4.711 15.488 ( -3.849 0.000 0.000) 3.849 17.247 ( -15.470 0.000 0.000) 15.470 29.608 ( 10.185 0.000 0.000) 10.185 30.898 ( 2.424 0.000 0.000) 2.424 33.740 ( 0.597 0.000 0.000) 0.597 34.563 ( -3.165 0.000 0.000) 3.165 77.553 ( -1.397 0.000 0.000) 1.397 77.730 ( -1.868 0.000 0.000) 1.868 ======================= Grid point 3 (4/240) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 21.126 0.000 0.000) 21.126 1.644 ( 22.038 0.000 0.000) 22.038 3.008 ( 12.424 0.000 0.000) 12.424 3.575 ( 36.502 0.000 0.000) 36.502 4.085 ( 14.218 0.000 0.000) 14.218 4.536 ( 11.592 0.000 0.000) 11.592 6.838 ( 2.859 0.000 0.000) 2.859 7.186 ( 3.743 0.000 0.000) 3.743 8.900 ( 6.109 0.000 0.000) 6.109 9.378 ( 2.118 0.000 0.000) 2.118 9.906 ( -0.639 0.000 0.000) 0.639 10.319 ( 4.471 0.000 0.000) 4.471 11.433 ( 2.685 0.000 0.000) 2.685 12.088 ( 6.856 0.000 0.000) 6.856 12.698 ( -3.616 0.000 0.000) 3.616 13.998 ( -6.390 0.000 0.000) 6.390 15.398 ( -4.676 0.000 0.000) 4.676 16.879 ( -19.851 0.000 0.000) 19.851 29.850 ( 13.054 0.000 0.000) 13.054 30.950 ( 2.483 0.000 0.000) 2.483 33.759 ( 1.264 0.000 0.000) 1.264 34.484 ( -4.443 0.000 0.000) 4.443 77.523 ( -1.412 0.000 0.000) 1.412 77.686 ( -2.321 0.000 0.000) 2.321 ======================= Grid point 4 (5/240) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 18.619 0.000 0.000) 18.619 2.054 ( 17.766 0.000 0.000) 17.766 3.089 ( 0.312 0.000 0.000) 0.312 4.028 ( -10.926 0.000 0.000) 10.926 4.420 ( 40.117 0.000 0.000) 40.117 5.035 ( 27.536 0.000 0.000) 27.536 6.899 ( 3.146 0.000 0.000) 3.146 7.253 ( 2.445 0.000 0.000) 2.445 8.977 ( 2.684 0.000 0.000) 2.684 9.430 ( 2.581 0.000 0.000) 2.581 9.924 ( 2.600 0.000 0.000) 2.600 10.450 ( 6.436 0.000 0.000) 6.436 11.483 ( 2.338 0.000 0.000) 2.338 12.148 ( -1.532 0.000 0.000) 1.532 12.700 ( 4.518 0.000 0.000) 4.518 13.852 ( -7.660 0.000 0.000) 7.660 15.307 ( -3.849 0.000 0.000) 3.849 16.453 ( -21.073 0.000 0.000) 21.073 30.131 ( 13.933 0.000 0.000) 13.933 30.992 ( 1.406 0.000 0.000) 1.406 33.794 ( 2.209 0.000 0.000) 2.209 34.382 ( -5.362 0.000 0.000) 5.362 77.498 ( -0.945 0.000 0.000) 0.945 77.637 ( -2.425 0.000 0.000) 2.425 ======================= Grid point 5 (6/240) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 16.815 0.000 0.000) 16.815 2.376 ( 13.631 0.000 0.000) 13.631 3.072 ( -1.665 0.000 0.000) 1.665 3.758 ( -14.681 0.000 0.000) 14.681 5.149 ( 30.043 0.000 0.000) 30.043 5.530 ( 19.619 0.000 0.000) 19.619 6.972 ( 4.042 0.000 0.000) 4.042 7.275 ( -0.414 0.000 0.000) 0.414 9.052 ( 4.981 0.000 0.000) 4.981 9.463 ( 0.200 0.000 0.000) 0.200 10.018 ( 6.500 0.000 0.000) 6.500 10.532 ( 0.995 0.000 0.000) 0.995 11.538 ( 3.167 0.000 0.000) 3.167 12.051 ( -6.779 0.000 0.000) 6.779 12.861 ( 10.099 0.000 0.000) 10.099 13.685 ( -8.626 0.000 0.000) 8.626 15.254 ( -0.919 0.000 0.000) 0.919 16.033 ( -19.267 0.000 0.000) 19.267 30.411 ( 12.956 0.000 0.000) 12.956 31.000 ( -0.793 0.000 0.000) 0.793 33.851 ( 3.320 0.000 0.000) 3.320 34.266 ( -5.830 0.000 0.000) 5.830 77.486 ( -0.187 0.000 0.000) 0.187 77.588 ( -2.263 0.000 0.000) 2.263 ======================= Grid point 6 (7/240) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 9.602 0.000 0.000) 9.602 2.633 ( 13.287 0.000 0.000) 13.287 3.035 ( -0.928 0.000 0.000) 0.928 3.442 ( -15.684 0.000 0.000) 15.684 5.639 ( 17.346 0.000 0.000) 17.346 5.820 ( 8.243 0.000 0.000) 8.243 7.065 ( 4.805 0.000 0.000) 4.805 7.239 ( -2.945 0.000 0.000) 2.945 9.180 ( 7.107 0.000 0.000) 7.107 9.429 ( -3.517 0.000 0.000) 3.517 10.179 ( 8.681 0.000 0.000) 8.681 10.491 ( -4.690 0.000 0.000) 4.690 11.621 ( 5.048 0.000 0.000) 5.048 11.898 ( -7.734 0.000 0.000) 7.734 13.082 ( 10.845 0.000 0.000) 10.845 13.499 ( -9.390 0.000 0.000) 9.390 15.282 ( 3.874 0.000 0.000) 3.874 15.676 ( -15.118 0.000 0.000) 15.118 30.654 ( 10.551 0.000 0.000) 10.551 30.953 ( -3.853 0.000 0.000) 3.853 33.930 ( 4.416 0.000 0.000) 4.416 34.146 ( -5.802 0.000 0.000) 5.802 77.491 ( 0.633 0.000 0.000) 0.633 77.545 ( -1.898 0.000 0.000) 1.898 ======================= Grid point 7 (8/240) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -2.600 0.000 0.000) 2.600 2.755 ( 2.600 0.000 0.000) 2.600 3.140 ( -12.184 0.000 0.000) 12.184 3.140 ( 12.184 0.000 0.000) 12.184 5.861 ( -4.353 0.000 0.000) 4.353 5.861 ( 4.353 0.000 0.000) 4.353 7.162 ( -4.414 0.000 0.000) 4.414 7.162 ( 4.414 0.000 0.000) 4.414 9.324 ( -6.452 0.000 0.000) 6.452 9.324 ( 6.452 0.000 0.000) 6.452 10.356 ( -8.028 0.000 0.000) 8.028 10.356 ( 8.028 0.000 0.000) 8.028 11.745 ( -6.900 0.000 0.000) 6.900 11.745 ( 6.900 0.000 0.000) 6.900 13.298 ( -10.150 0.000 0.000) 10.150 13.298 ( 10.150 0.000 0.000) 10.150 15.420 ( -9.612 0.000 0.000) 9.612 15.420 ( 9.612 0.000 0.000) 9.612 30.839 ( -7.304 0.000 0.000) 7.304 30.839 ( 7.304 0.000 0.000) 7.304 34.031 ( -5.298 0.000 0.000) 5.298 34.031 ( 5.298 0.000 0.000) 5.298 77.511 ( -1.351 0.000 0.000) 1.351 77.511 ( 1.351 0.000 0.000) 1.351 ======================= Grid point 15 (9/240) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 26.191 0.000) 26.191 0.736 ( 0.000 34.679 0.000) 34.679 0.990 ( 0.000 46.286 0.000) 46.286 2.562 ( 0.000 -0.529 0.000) 0.529 3.303 ( 0.000 8.401 0.000) 8.401 4.641 ( 0.000 -2.578 0.000) 2.578 6.701 ( 0.000 -1.549 0.000) 1.549 7.427 ( 0.000 2.760 0.000) 2.760 8.316 ( 0.000 -0.347 0.000) 0.347 8.434 ( 0.000 -15.796 0.000) 15.796 9.566 ( 0.000 16.379 0.000) 16.379 11.266 ( 0.000 -1.947 0.000) 1.947 11.290 ( 0.000 0.755 0.000) 0.755 11.573 ( 0.000 -0.095 0.000) 0.095 12.914 ( 0.000 0.709 0.000) 0.709 14.152 ( 0.000 -5.531 0.000) 5.531 14.418 ( 0.000 1.260 0.000) 1.260 18.312 ( 0.000 -3.116 0.000) 3.116 29.397 ( 0.000 1.189 0.000) 1.189 30.217 ( 0.000 -0.748 0.000) 0.748 34.199 ( 0.000 0.052 0.000) 0.052 34.623 ( 0.000 -0.566 0.000) 0.566 77.701 ( 0.000 10.912 0.000) 10.912 81.865 ( 0.000 -8.420 0.000) 8.420 ======================= Grid point 16 (10/240) ======================= q-point: ( 0.07 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 19.506 21.178 0.000) 28.792 0.900 ( 14.714 26.053 0.000) 29.921 1.481 ( 41.963 26.692 0.000) 49.733 2.838 ( 24.682 -1.037 0.000) 24.703 3.302 ( 0.103 8.142 0.000) 8.143 4.604 ( -3.221 -2.717 0.000) 4.214 6.714 ( 1.184 -2.056 0.000) 2.373 7.249 ( -5.802 11.398 0.000) 12.790 8.427 ( 10.745 -1.323 0.000) 10.826 9.010 ( 26.552 -39.063 0.000) 47.232 9.560 ( -0.912 11.364 0.000) 11.400 10.932 ( -20.110 12.148 0.000) 23.494 11.318 ( 0.862 0.553 0.000) 1.024 11.680 ( 10.969 -0.583 0.000) 10.984 12.900 ( -2.767 0.916 0.000) 2.915 14.160 ( -2.090 -3.316 0.000) 3.920 14.868 ( 24.987 -27.194 0.000) 36.930 17.917 ( -26.230 13.297 0.000) 29.408 29.456 ( 5.595 1.202 0.000) 5.722 30.501 ( 16.103 -15.181 0.000) 22.131 34.002 ( -10.927 10.933 0.000) 15.457 34.604 ( -1.723 -0.688 0.000) 1.856 77.687 ( -1.306 10.560 0.000) 10.640 79.781 (-102.759 91.524 0.000) 137.608 ======================= Grid point 17 (11/240) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 18.846 15.601 0.000) 24.465 1.298 ( 20.926 13.206 0.000) 24.745 2.425 ( 45.364 12.660 0.000) 47.097 3.319 ( 4.100 7.294 0.000) 8.367 3.473 ( 33.040 -1.619 0.000) 33.080 4.516 ( -5.018 -3.205 0.000) 5.954 6.748 ( 2.073 -3.120 0.000) 3.746 7.196 ( -0.614 6.637 0.000) 6.665 8.691 ( 12.913 -1.380 0.000) 12.987 9.375 ( 12.315 -19.744 0.000) 23.270 9.525 ( -2.082 0.464 0.000) 2.133 10.614 ( -9.971 13.302 0.000) 16.624 11.357 ( 2.671 -0.872 0.000) 2.809 11.933 ( 12.116 1.772 0.000) 12.245 12.809 ( -5.548 1.114 0.000) 5.658 14.085 ( -4.877 -2.773 0.000) 5.610 15.171 ( 6.354 -22.328 0.000) 23.214 17.418 ( -22.745 10.422 0.000) 25.019 29.620 ( 10.131 1.162 0.000) 10.197 30.739 ( 8.006 -11.584 0.000) 14.081 33.857 ( -3.840 8.306 0.000) 9.151 34.553 ( -3.205 -0.831 0.000) 3.311 77.651 ( -2.045 9.497 0.000) 9.714 78.485 ( -35.076 55.762 0.000) 65.877 ======================= Grid point 18 (12/240) ======================= q-point: ( 0.21 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 18.381 8.994 0.000) 20.463 1.714 ( 19.159 6.727 0.000) 20.306 3.063 ( 10.334 4.748 0.000) 11.373 3.659 ( 34.853 7.659 0.000) 35.685 4.066 ( 14.993 -1.873 0.000) 15.110 4.485 ( 9.949 -4.839 0.000) 11.064 6.796 ( 2.592 -3.949 0.000) 4.723 7.200 ( 0.797 1.158 0.000) 1.406 8.892 ( 6.044 -1.423 0.000) 6.210 9.472 ( -1.676 4.363 0.000) 4.673 9.611 ( 10.061 -14.178 0.000) 17.385 10.533 ( 1.625 12.339 0.000) 12.446 11.417 ( 2.943 -1.176 0.000) 3.169 12.140 ( 7.214 4.037 0.000) 8.267 12.703 ( -3.673 0.662 0.000) 3.732 13.967 ( -6.487 -2.920 0.000) 7.114 15.215 ( -0.560 -14.977 0.000) 14.987 16.956 ( -22.473 5.593 0.000) 23.158 29.861 ( 12.951 1.022 0.000) 12.991 30.866 ( 4.804 -7.058 0.000) 8.538 33.815 ( -0.645 4.662 0.000) 4.706 34.474 ( -4.465 -0.909 0.000) 4.557 77.607 ( -2.237 7.898 0.000) 8.208 78.011 ( -14.999 27.077 0.000) 30.954 ======================= Grid point 19 (13/240) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 16.954 4.968 0.000) 17.667 2.076 ( 15.912 2.281 0.000) 16.075 3.118 ( -0.781 2.561 0.000) 2.677 4.012 ( -10.933 -1.699 0.000) 11.064 4.455 ( 37.622 3.072 0.000) 37.747 4.964 ( 26.697 -6.560 0.000) 27.491 6.855 ( 3.232 -4.123 0.000) 5.239 7.219 ( 0.776 -3.136 0.000) 3.230 8.962 ( 1.919 -1.681 0.000) 2.551 9.440 ( -1.545 -2.715 0.000) 3.124 9.815 ( 9.968 -2.147 0.000) 10.197 10.624 ( 5.271 12.120 0.000) 13.217 11.476 ( 2.917 -0.547 0.000) 2.968 12.194 ( -2.128 4.078 0.000) 4.599 12.708 ( 4.723 0.816 0.000) 4.793 13.824 ( -7.303 -2.676 0.000) 7.777 15.189 ( -1.330 -10.127 0.000) 10.214 16.496 ( -22.048 3.312 0.000) 22.295 30.139 ( 13.773 0.773 0.000) 13.795 30.942 ( 2.610 -4.399 0.000) 5.115 33.822 ( 1.205 2.448 0.000) 2.729 34.372 ( -5.356 -0.935 0.000) 5.437 77.562 ( -2.030 5.993 0.000) 6.327 77.785 ( -8.017 12.880 0.000) 15.171 ======================= Grid point 20 (14/240) ======================= q-point: ( 0.36 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 15.631 2.261 0.000) 15.793 2.368 ( 12.479 -0.716 0.000) 12.500 3.079 ( -2.735 0.486 0.000) 2.778 3.742 ( -14.589 -1.609 0.000) 14.677 5.135 ( 27.755 -1.425 0.000) 27.792 5.441 ( 18.879 -8.000 0.000) 20.504 6.932 ( 4.315 -3.778 0.000) 5.736 7.223 ( -0.514 -4.796 0.000) 4.823 9.011 ( 3.357 -3.593 0.000) 4.917 9.401 ( -2.474 -6.677 0.000) 7.121 10.028 ( 10.783 4.011 0.000) 11.505 10.687 ( 0.191 11.892 0.000) 11.893 11.542 ( 3.605 0.356 0.000) 3.623 12.089 ( -7.082 3.429 0.000) 7.868 12.870 ( 10.014 0.849 0.000) 10.049 13.669 ( -7.752 -1.472 0.000) 7.891 15.182 ( 1.099 -6.202 0.000) 6.299 16.062 ( -19.832 2.268 0.000) 19.961 30.415 ( 12.733 0.405 0.000) 12.740 30.970 ( -0.048 -2.740 0.000) 2.741 33.863 ( 2.719 1.077 0.000) 2.925 34.257 ( -5.777 -0.882 0.000) 5.844 77.527 ( -1.240 3.930 0.000) 4.122 77.657 ( -4.765 6.027 0.000) 7.683 ======================= Grid point 21 (15/240) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 9.151 -2.407 0.000) 9.462 2.634 ( 12.040 -0.018 0.000) 12.040 3.025 ( -1.289 -0.994 0.000) 1.628 3.429 ( -15.478 -1.294 0.000) 15.532 5.581 ( 15.476 -5.332 0.000) 16.369 5.722 ( 8.169 -8.796 0.000) 12.004 7.030 ( 4.975 -3.358 0.000) 6.002 7.194 ( -2.381 -4.285 0.000) 4.902 9.105 ( 5.577 -6.351 0.000) 8.452 9.332 ( -4.303 -8.492 0.000) 9.520 10.254 ( 10.940 7.333 0.000) 13.170 10.627 ( -5.745 10.910 0.000) 12.330 11.633 ( 5.407 1.094 0.000) 5.517 11.928 ( -8.190 2.780 0.000) 8.649 13.090 ( 10.978 0.892 0.000) 11.014 13.501 ( -8.672 0.144 0.000) 8.673 15.248 ( 5.534 -2.897 0.000) 6.247 15.692 ( -15.886 1.286 0.000) 15.937 30.653 ( 10.256 -0.095 0.000) 10.256 30.936 ( -3.334 -1.595 0.000) 3.696 33.933 ( 4.040 0.193 0.000) 4.044 34.138 ( -5.677 -0.711 0.000) 5.721 77.515 ( 0.105 2.335 0.000) 2.337 77.579 ( -2.967 2.961 0.000) 4.192 ======================= Grid point 22 (16/240) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -2.870 -2.466 0.000) 3.784 2.730 ( 2.870 -2.466 0.000) 3.784 3.131 ( -10.436 -0.823 0.000) 10.469 3.131 ( 10.436 -0.823 0.000) 10.469 5.773 ( -3.282 -7.988 0.000) 8.636 5.773 ( 3.282 -7.988 0.000) 8.636 7.126 ( -3.629 -3.459 0.000) 5.013 7.126 ( 3.629 -3.459 0.000) 5.013 9.226 ( -5.153 -8.282 0.000) 9.754 9.226 ( 5.153 -8.282 0.000) 9.754 10.467 ( -9.224 9.375 0.000) 13.152 10.467 ( 9.224 9.375 0.000) 13.152 11.765 ( -4.016 1.894 0.000) 4.440 11.765 ( 4.016 1.894 0.000) 4.440 13.309 ( -9.432 0.953 0.000) 9.480 13.309 ( 9.432 0.953 0.000) 9.480 15.416 ( -10.456 -0.357 0.000) 10.462 15.416 ( 10.456 -0.357 0.000) 10.462 30.831 ( -6.856 -0.747 0.000) 6.896 30.831 ( 6.856 -0.747 0.000) 6.896 34.027 ( -5.063 -0.373 0.000) 5.077 34.027 ( 5.063 -0.373 0.000) 5.077 77.532 ( -0.944 1.915 0.000) 2.135 77.532 ( 0.944 1.915 0.000) 2.135 ======================= Grid point 30 (17/240) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 22.745 0.000) 22.745 1.436 ( 0.000 32.170 0.000) 32.170 1.907 ( 0.000 41.013 0.000) 41.013 2.543 ( 0.000 -1.369 0.000) 1.369 3.522 ( 0.000 11.387 0.000) 11.387 4.566 ( 0.000 -4.366 0.000) 4.366 6.652 ( 0.000 -3.145 0.000) 3.145 7.507 ( 0.000 4.667 0.000) 4.667 8.083 ( 0.000 -16.832 0.000) 16.832 8.305 ( 0.000 -0.746 0.000) 0.746 9.940 ( 0.000 18.530 0.000) 18.530 11.214 ( 0.000 -2.870 0.000) 2.870 11.310 ( 0.000 0.935 0.000) 0.935 11.568 ( 0.000 -0.410 0.000) 0.410 12.940 ( 0.000 1.877 0.000) 1.877 13.999 ( 0.000 -8.874 0.000) 8.874 14.440 ( 0.000 0.799 0.000) 0.799 18.224 ( 0.000 -5.052 0.000) 5.052 29.432 ( 0.000 2.071 0.000) 2.071 30.194 ( 0.000 -1.356 0.000) 1.356 34.201 ( 0.000 0.071 0.000) 0.071 34.607 ( 0.000 -0.904 0.000) 0.904 78.032 ( 0.000 20.441 0.000) 20.441 81.604 ( 0.000 -16.432 0.000) 16.432 ======================= Grid point 31 (18/240) ======================= q-point: ( 0.07 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 17.703 21.108 0.000) 27.549 1.495 ( 5.752 29.163 0.000) 29.725 2.127 ( 21.951 32.320 0.000) 39.069 2.805 ( 23.569 -2.089 0.000) 23.662 3.517 ( -0.284 11.403 0.000) 11.407 4.524 ( -3.846 -4.712 0.000) 6.082 6.651 ( 0.015 -3.832 0.000) 3.832 7.441 ( -4.860 7.079 0.000) 8.586 8.262 ( 13.167 -18.148 0.000) 22.422 8.519 ( 19.200 -5.899 0.000) 20.085 9.894 ( -3.927 18.297 0.000) 18.714 11.050 ( -12.889 1.692 0.000) 12.999 11.327 ( 0.230 0.254 0.000) 0.342 11.664 ( 10.594 -0.927 0.000) 10.634 12.933 ( -1.729 2.393 0.000) 2.952 14.030 ( 0.572 -8.958 0.000) 8.977 14.557 ( 10.306 -6.919 0.000) 12.413 18.014 ( -18.444 -0.772 0.000) 18.460 29.491 ( 5.602 2.071 0.000) 5.973 30.311 ( 9.645 -5.341 0.000) 11.025 34.128 ( -5.966 2.966 0.000) 6.663 34.586 ( -1.955 -1.008 0.000) 2.199 78.006 ( -2.465 19.615 0.000) 19.770 80.763 ( -65.932 15.034 0.000) 67.624 ======================= Grid point 32 (19/240) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 13.978 19.448 0.000) 23.950 1.665 ( 10.493 22.481 0.000) 24.809 2.737 ( 32.510 15.516 0.000) 36.023 3.408 ( 32.502 -3.126 0.000) 32.652 3.537 ( 4.117 11.577 0.000) 12.287 4.419 ( -6.043 -5.831 0.000) 8.398 6.657 ( 0.619 -5.420 0.000) 5.455 7.333 ( -5.416 5.632 0.000) 7.813 8.547 ( 13.540 -14.846 0.000) 20.092 8.951 ( 19.918 -9.064 0.000) 21.883 9.811 ( -3.225 17.879 0.000) 18.168 10.804 ( -8.701 5.593 0.000) 10.343 11.347 ( 1.843 -0.145 0.000) 1.849 11.943 ( 14.701 -0.897 0.000) 14.728 12.855 ( -5.491 3.466 0.000) 6.493 13.988 ( -4.154 -6.666 0.000) 7.854 14.766 ( 8.215 -15.102 0.000) 17.192 17.557 ( -24.327 2.850 0.000) 24.493 29.654 ( 10.038 2.049 0.000) 10.245 30.522 ( 9.939 -8.436 0.000) 13.037 34.004 ( -5.394 5.245 0.000) 7.524 34.530 ( -3.410 -1.303 0.000) 3.651 77.935 ( -4.219 17.283 0.000) 17.790 79.470 ( -53.564 32.894 0.000) 62.858 ======================= Grid point 33 (20/240) ======================= q-point: ( 0.21 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 12.066 14.855 0.000) 19.138 1.924 ( 12.336 13.436 0.000) 18.240 3.174 ( 6.477 4.926 0.000) 8.137 3.861 ( 29.150 10.453 0.000) 30.967 4.011 ( 17.207 -2.875 0.000) 17.445 4.341 ( 6.137 -8.580 0.000) 10.549 6.679 ( 1.672 -7.063 0.000) 7.258 7.225 ( -4.887 1.075 0.000) 5.004 8.777 ( 8.150 -10.833 0.000) 13.557 9.253 ( 7.962 -7.649 0.000) 11.041 9.808 ( 3.993 16.976 0.000) 17.440 10.742 ( 2.681 7.553 0.000) 8.015 11.397 ( 2.876 -0.687 0.000) 2.957 12.211 ( 9.995 2.010 0.000) 10.195 12.740 ( -4.493 3.191 0.000) 5.511 13.878 ( -6.191 -5.470 0.000) 8.261 14.882 ( 3.657 -15.177 0.000) 15.611 17.050 ( -24.614 2.764 0.000) 24.768 29.892 ( 12.703 1.881 0.000) 12.842 30.702 ( 7.488 -7.785 0.000) 10.802 33.918 ( -2.900 4.603 0.000) 5.441 34.448 ( -4.582 -1.553 0.000) 4.839 77.839 ( -5.005 13.905 0.000) 14.778 78.602 ( -32.034 25.412 0.000) 40.889 ======================= Grid point 34 (21/240) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 12.399 8.755 0.000) 15.178 2.160 ( 10.475 6.129 0.000) 12.136 3.176 ( -3.346 2.353 0.000) 4.090 3.948 ( -11.176 -4.754 0.000) 12.146 4.530 ( 31.352 3.630 0.000) 31.561 4.788 ( 25.260 -9.362 0.000) 26.940 6.729 ( 3.193 -8.042 0.000) 8.653 7.141 ( -3.113 -3.606 0.000) 4.764 8.881 ( 2.447 -6.754 0.000) 7.183 9.297 ( -1.840 -6.697 0.000) 6.945 9.968 ( 10.412 13.499 0.000) 17.048 10.860 ( 6.601 9.674 0.000) 11.712 11.464 ( 3.702 -0.597 0.000) 3.750 12.294 ( -2.193 4.819 0.000) 5.295 12.737 ( 4.959 2.192 0.000) 5.421 13.747 ( -6.297 -4.490 0.000) 7.734 14.947 ( 3.286 -11.725 0.000) 12.176 16.557 ( -23.112 2.056 0.000) 23.204 30.163 ( 13.344 1.492 0.000) 13.427 30.829 ( 4.747 -6.001 0.000) 7.651 33.883 ( -0.599 3.049 0.000) 3.107 34.345 ( -5.358 -1.661 0.000) 5.610 77.735 ( -4.936 10.189 0.000) 11.322 78.095 ( -18.453 14.939 0.000) 23.742 ======================= Grid point 35 (22/240) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 8.615 -0.216 0.000) 8.618 2.404 ( 12.056 3.867 0.000) 12.661 3.082 ( -5.270 -0.489 0.000) 5.292 3.680 ( -14.219 -4.657 0.000) 14.962 5.089 ( 22.222 -2.974 0.000) 22.420 5.234 ( 17.461 -10.767 0.000) 20.514 6.812 ( 4.829 -8.022 0.000) 9.363 7.097 ( -1.425 -6.469 0.000) 6.624 8.910 ( 1.205 -5.928 0.000) 6.049 9.229 ( -4.221 -7.942 0.000) 8.994 10.203 ( 12.042 11.383 0.000) 16.570 10.940 ( 0.296 11.144 0.000) 11.148 11.550 ( 4.692 0.349 0.000) 4.705 12.180 ( -7.634 4.771 0.000) 9.002 12.901 ( 9.949 2.334 0.000) 10.219 13.625 ( -5.672 -2.685 0.000) 6.276 15.035 ( 5.553 -7.016 0.000) 8.947 16.107 ( -20.440 1.771 0.000) 20.517 30.428 ( 12.110 0.849 0.000) 12.140 30.895 ( 1.598 -4.184 0.000) 4.479 33.891 ( 1.391 1.533 0.000) 2.070 34.231 ( -5.621 -1.574 0.000) 5.837 77.642 ( -3.907 6.763 0.000) 7.811 77.807 ( -10.190 7.600 0.000) 12.712 ======================= Grid point 36 (23/240) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 7.318 -4.383 0.000) 8.530 2.624 ( 7.833 -1.237 0.000) 7.930 2.993 ( -1.594 -2.027 0.000) 2.579 3.380 ( -14.595 -3.651 0.000) 15.045 5.433 ( 11.340 -8.215 0.000) 14.003 5.496 ( 7.988 -11.637 0.000) 14.115 6.919 ( 5.295 -7.487 0.000) 9.170 7.069 ( -1.679 -7.223 0.000) 7.416 8.951 ( 3.003 -7.635 0.000) 8.204 9.133 ( -4.945 -9.277 0.000) 10.513 10.453 ( 11.984 10.618 0.000) 16.011 10.869 ( -6.699 11.070 0.000) 12.939 11.664 ( 6.535 1.760 0.000) 6.768 12.004 ( -9.100 4.125 0.000) 9.991 13.122 ( 10.965 2.144 0.000) 11.173 13.500 ( -6.810 -0.329 0.000) 6.818 15.184 ( 9.081 -2.698 0.000) 9.473 15.721 ( -16.958 1.445 0.000) 17.019 30.651 ( 9.432 -0.050 0.000) 9.433 30.891 ( -2.035 -2.572 0.000) 3.279 33.938 ( 3.098 0.293 0.000) 3.112 34.117 ( -5.312 -1.244 0.000) 5.455 77.584 ( -1.534 4.092 0.000) 4.370 77.654 ( -5.165 3.863 0.000) 6.450 ======================= Grid point 37 (24/240) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -3.337 -5.475 0.000) 6.412 2.648 ( 3.337 -5.475 0.000) 6.412 3.103 ( -7.742 -1.986 0.000) 7.992 3.103 ( 7.742 -1.986 0.000) 7.992 5.563 ( -0.809 -11.080 0.000) 11.109 5.563 ( 0.809 -11.080 0.000) 11.109 7.015 ( -1.758 -7.204 0.000) 7.415 7.015 ( 1.758 -7.204 0.000) 7.415 9.032 ( -3.659 -9.231 0.000) 9.929 9.032 ( 3.659 -9.231 0.000) 9.929 10.687 ( -10.513 10.587 0.000) 14.920 10.687 ( 10.513 10.587 0.000) 14.920 11.820 ( -3.690 3.111 0.000) 4.826 11.820 ( 3.690 3.111 0.000) 4.826 13.334 ( -8.064 1.393 0.000) 8.183 13.334 ( 8.064 1.393 0.000) 8.183 15.412 ( -12.358 0.170 0.000) 12.359 15.412 ( 12.358 0.170 0.000) 12.359 30.810 ( -5.701 -1.193 0.000) 5.824 30.810 ( 5.701 -1.193 0.000) 5.824 34.016 ( -4.427 -0.630 0.000) 4.472 34.016 ( 4.427 -0.630 0.000) 4.472 77.585 ( -0.739 2.920 0.000) 3.012 77.585 ( 0.739 2.920 0.000) 3.012 ======================= Grid point 45 (25/240) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.000 17.707 0.000) 17.707 2.068 ( 0.000 28.033 0.000) 28.033 2.502 ( 0.000 -2.549 0.000) 2.549 2.670 ( 0.000 31.036 0.000) 31.036 3.729 ( 0.000 7.502 0.000) 7.502 4.473 ( 0.000 -4.110 0.000) 4.110 6.576 ( 0.000 -3.793 0.000) 3.793 7.611 ( 0.000 5.016 0.000) 5.016 7.757 ( 0.000 -13.989 0.000) 13.989 8.286 ( 0.000 -1.084 0.000) 1.084 10.316 ( 0.000 16.982 0.000) 16.982 11.155 ( 0.000 -2.619 0.000) 2.619 11.321 ( 0.000 -0.095 0.000) 0.095 11.557 ( 0.000 -0.628 0.000) 0.628 12.999 ( 0.000 3.881 0.000) 3.881 13.790 ( 0.000 -10.917 0.000) 10.917 14.451 ( 0.000 0.260 0.000) 0.260 18.115 ( 0.000 -5.069 0.000) 5.069 29.479 ( 0.000 2.310 0.000) 2.310 30.163 ( 0.000 -1.594 0.000) 1.594 34.202 ( 0.000 0.052 0.000) 0.052 34.588 ( 0.000 -0.889 0.000) 0.889 78.535 ( 0.000 27.173 0.000) 27.173 81.187 ( 0.000 -23.192 0.000) 23.192 ======================= Grid point 46 (26/240) ======================= q-point: ( 0.07 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 18.029 17.119 0.000) 24.862 2.082 ( 1.644 26.479 0.000) 26.530 2.715 ( 13.609 9.885 0.000) 16.820 2.786 ( 17.102 12.949 0.000) 21.451 3.730 ( 0.316 7.937 0.000) 7.943 4.423 ( -4.605 -4.296 0.000) 6.298 6.562 ( -1.248 -4.384 0.000) 4.558 7.541 ( -5.384 1.607 0.000) 5.619 7.915 ( 13.001 -11.958 0.000) 17.664 8.477 ( 17.152 -0.835 0.000) 17.172 10.277 ( -3.448 17.619 0.000) 17.953 11.050 ( -8.981 -1.139 0.000) 9.053 11.326 ( 0.307 -0.475 0.000) 0.566 11.645 ( 9.178 -0.838 0.000) 9.216 13.006 ( -0.388 4.641 0.000) 4.657 13.809 ( 1.213 -11.694 0.000) 11.756 14.474 ( 2.293 -2.142 0.000) 3.138 17.959 ( -14.472 -3.595 0.000) 14.911 29.538 ( 5.624 2.330 0.000) 6.087 30.228 ( 5.977 -2.973 0.000) 6.675 34.165 ( -3.313 1.015 0.000) 3.465 34.565 ( -2.187 -0.986 0.000) 2.399 78.485 ( -4.709 25.719 0.000) 26.147 80.756 ( -37.938 -11.391 0.000) 39.611 ======================= Grid point 47 (27/240) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 11.679 19.070 0.000) 22.362 2.147 ( 5.179 22.844 0.000) 23.424 3.005 ( 16.041 8.346 0.000) 18.083 3.343 ( 31.536 -1.795 0.000) 31.587 3.771 ( 5.235 8.625 0.000) 10.090 4.297 ( -7.279 -4.596 0.000) 8.608 6.533 ( -1.357 -6.024 0.000) 6.175 7.406 ( -7.580 0.916 0.000) 7.635 8.224 ( 15.758 -12.383 0.000) 20.041 8.893 ( 20.354 -0.081 0.000) 20.355 10.199 ( -3.296 18.254 0.000) 18.549 10.871 ( -6.319 1.141 0.000) 6.421 11.342 ( 1.394 -0.547 0.000) 1.497 11.909 ( 15.332 -1.808 0.000) 15.438 12.953 ( -4.702 5.837 0.000) 7.495 13.809 ( -1.606 -10.164 0.000) 10.290 14.539 ( 3.637 -7.268 0.000) 8.127 17.565 ( -22.597 -1.350 0.000) 22.638 29.702 ( 10.005 2.377 0.000) 10.284 30.384 ( 8.500 -5.102 0.000) 9.914 34.082 ( -4.405 2.518 0.000) 5.073 34.502 ( -3.783 -1.317 0.000) 4.006 78.350 ( -8.133 21.825 0.000) 23.291 79.845 ( -45.996 4.997 0.000) 46.266 ======================= Grid point 48 (28/240) ======================= q-point: ( 0.21 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.678 15.571 0.000) 16.574 2.276 ( 5.503 18.946 0.000) 19.729 3.229 ( 3.430 -0.402 0.000) 3.454 3.921 ( 10.632 -3.932 0.000) 11.336 4.035 ( 24.858 -1.892 0.000) 24.929 4.206 ( 6.874 1.800 0.000) 7.106 6.514 ( -0.328 -8.302 0.000) 8.309 7.241 ( -8.051 0.377 0.000) 8.060 8.520 ( 12.260 -11.164 0.000) 16.582 9.199 ( 7.610 0.171 0.000) 7.612 10.181 ( 2.200 17.707 0.000) 17.843 10.848 ( 4.442 2.581 0.000) 5.137 11.383 ( 2.638 -0.671 0.000) 2.722 12.221 ( 13.386 -0.625 0.000) 13.401 12.836 ( -5.544 5.698 0.000) 7.950 13.744 ( -4.373 -7.092 0.000) 8.332 14.620 ( 4.442 -9.677 0.000) 10.648 17.071 ( -24.596 -0.336 0.000) 24.599 29.937 ( 12.462 2.318 0.000) 12.676 30.558 ( 8.124 -5.886 0.000) 10.033 33.997 ( -3.553 2.994 0.000) 4.647 34.413 ( -4.853 -1.709 0.000) 5.145 78.164 ( -9.641 16.628 0.000) 19.220 78.981 ( -36.720 10.411 0.000) 38.167 ======================= Grid point 49 (29/240) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 3.902 9.360 0.000) 10.141 2.375 ( 5.096 12.198 0.000) 13.220 3.191 ( -5.471 -1.317 0.000) 5.627 3.800 ( -11.687 -9.669 0.000) 15.168 4.577 ( 24.481 -1.100 0.000) 24.506 4.628 ( 23.658 -3.303 0.000) 23.887 6.529 ( 1.967 -10.472 0.000) 10.656 7.090 ( -6.325 -1.167 0.000) 6.432 8.708 ( 5.989 -8.221 0.000) 10.171 9.220 ( -3.811 -1.501 0.000) 4.096 10.282 ( 7.051 15.329 0.000) 16.873 11.007 ( 8.670 3.952 0.000) 9.528 11.452 ( 4.139 -0.373 0.000) 4.156 12.373 ( -0.251 2.548 0.000) 2.560 12.805 ( 4.345 4.208 0.000) 6.048 13.646 ( -4.734 -4.896 0.000) 6.810 14.735 ( 7.085 -8.099 0.000) 10.761 16.577 ( -23.078 0.058 0.000) 23.078 30.200 ( 12.799 1.980 0.000) 12.952 30.707 ( 6.178 -5.375 0.000) 8.188 33.941 ( -1.849 2.467 0.000) 3.083 34.306 ( -5.407 -1.928 0.000) 5.740 77.966 ( -9.302 11.412 0.000) 14.723 78.350 ( -24.828 8.703 0.000) 26.309 ======================= Grid point 50 (30/240) ======================= q-point: ( 0.36 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 1.872 2.203 0.000) 2.891 2.495 ( 5.864 4.666 0.000) 7.494 3.049 ( -7.385 -2.659 0.000) 7.849 3.538 ( -13.193 -8.926 0.000) 15.929 5.010 ( 16.959 -4.834 0.000) 17.635 5.040 ( 15.874 -6.592 0.000) 17.188 6.600 ( 4.904 -11.547 0.000) 12.545 6.986 ( -3.924 -3.861 0.000) 5.505 8.781 ( 1.753 -5.752 0.000) 6.014 9.104 ( -6.528 -4.138 0.000) 7.729 10.456 ( 9.641 12.105 0.000) 15.475 11.120 ( 1.255 5.464 0.000) 5.606 11.556 ( 6.003 0.459 0.000) 6.020 12.267 ( -8.020 3.193 0.000) 8.632 12.971 ( 9.947 4.188 0.000) 10.793 13.562 ( -3.503 -3.174 0.000) 4.727 14.913 ( 10.137 -4.361 0.000) 11.035 16.132 ( -20.075 0.709 0.000) 20.087 30.450 ( 11.235 1.268 0.000) 11.306 30.805 ( 3.217 -4.169 0.000) 5.266 33.923 ( 0.092 1.456 0.000) 1.459 34.194 ( -5.382 -1.844 0.000) 5.689 77.792 ( -7.383 7.155 0.000) 10.282 77.947 ( -14.709 5.347 0.000) 15.651 ======================= Grid point 51 (31/240) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 3.068 -4.665 0.000) 5.584 2.572 ( 0.171 -3.893 0.000) 3.897 2.948 ( -0.461 -2.004 0.000) 2.056 3.273 ( -12.271 -6.454 0.000) 13.865 5.264 ( 7.959 -7.507 0.000) 10.940 5.280 ( 7.440 -8.312 0.000) 11.155 6.718 ( 6.156 -11.118 0.000) 12.708 6.916 ( -3.290 -6.990 0.000) 7.725 8.811 ( 1.775 -5.394 0.000) 5.679 8.973 ( -5.932 -5.911 0.000) 8.375 10.667 ( 10.624 9.581 0.000) 14.306 11.059 ( -6.528 6.660 0.000) 9.326 11.700 ( 7.979 1.604 0.000) 8.139 12.081 ( -9.678 2.832 0.000) 10.084 13.180 ( 9.940 3.345 0.000) 10.488 13.485 ( -4.467 -1.092 0.000) 4.598 15.148 ( 12.542 -0.722 0.000) 12.563 15.751 ( -17.023 1.443 0.000) 17.084 30.652 ( 8.258 0.188 0.000) 8.260 30.835 ( -0.464 -2.686 0.000) 2.726 33.944 ( 1.970 0.341 0.000) 2.000 34.089 ( -4.758 -1.414 0.000) 4.964 77.674 ( -3.807 4.220 0.000) 5.683 77.728 ( -7.014 3.029 0.000) 7.640 ======================= Grid point 52 (32/240) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -3.125 -7.934 0.000) 8.527 2.505 ( 3.125 -7.934 0.000) 8.527 3.049 ( -5.030 -2.992 0.000) 5.852 3.049 ( 5.030 -2.992 0.000) 5.852 5.349 ( -0.059 -8.660 0.000) 8.661 5.349 ( 0.059 -8.660 0.000) 8.661 6.835 ( -1.916 -9.539 0.000) 9.730 6.835 ( 1.916 -9.539 0.000) 9.730 8.869 ( -2.892 -6.068 0.000) 6.722 8.869 ( 2.892 -6.068 0.000) 6.722 10.882 ( -9.320 7.876 0.000) 12.202 10.882 ( 9.320 7.876 0.000) 12.202 11.881 ( -4.385 2.426 0.000) 5.011 11.881 ( 4.385 2.426 0.000) 5.011 13.363 ( -6.250 1.281 0.000) 6.380 13.363 ( 6.250 1.281 0.000) 6.380 15.427 ( -14.046 1.265 0.000) 14.103 15.427 ( 14.046 1.265 0.000) 14.103 30.784 ( -4.251 -1.176 0.000) 4.410 30.784 ( 4.251 -1.176 0.000) 4.410 34.002 ( -3.564 -0.660 0.000) 3.625 34.002 ( 3.564 -0.660 0.000) 3.625 77.646 ( -0.410 2.708 0.000) 2.739 77.646 ( 0.410 2.708 0.000) 2.739 ======================= Grid point 60 (33/240) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 10.971 0.000) 10.971 2.440 ( 0.000 -3.160 0.000) 3.160 2.585 ( 0.000 20.592 0.000) 20.592 3.144 ( 0.000 12.703 0.000) 12.703 3.834 ( 0.000 3.679 0.000) 3.679 4.406 ( 0.000 -2.386 0.000) 2.386 6.506 ( 0.000 -2.604 0.000) 2.604 7.519 ( 0.000 -8.280 0.000) 8.280 7.702 ( 0.000 3.382 0.000) 3.382 8.263 ( 0.000 -0.950 0.000) 0.950 10.624 ( 0.000 11.659 0.000) 11.659 11.111 ( 0.000 -1.516 0.000) 1.516 11.301 ( 0.000 -1.638 0.000) 1.638 11.545 ( 0.000 -0.472 0.000) 0.472 13.106 ( 0.000 6.258 0.000) 6.258 13.558 ( 0.000 -10.775 0.000) 10.775 14.453 ( 0.000 0.009 0.000) 0.009 18.026 ( 0.000 -3.145 0.000) 3.145 29.522 ( 0.000 1.594 0.000) 1.594 30.133 ( 0.000 -1.151 0.000) 1.151 34.203 ( 0.000 0.022 0.000) 0.022 34.573 ( 0.000 -0.541 0.000) 0.541 79.131 ( 0.000 28.502 0.000) 28.502 80.661 ( 0.000 -26.056 0.000) 26.056 ======================= Grid point 61 (34/240) ======================= q-point: ( 0.07 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 18.492 10.686 0.000) 21.358 2.566 ( 1.257 17.531 0.000) 17.576 2.680 ( 18.258 -1.178 0.000) 18.296 3.155 ( 1.817 10.707 0.000) 10.860 3.829 ( -0.429 2.237 0.000) 2.277 4.367 ( -3.485 -1.065 0.000) 3.645 6.482 ( -2.245 -2.970 0.000) 3.723 7.477 ( -3.654 -5.675 0.000) 6.750 7.813 ( 9.888 0.246 0.000) 9.891 8.461 ( 17.832 -0.667 0.000) 17.845 10.600 ( -2.272 12.473 0.000) 12.678 11.016 ( -8.072 -1.976 0.000) 8.310 11.304 ( 0.428 -1.438 0.000) 1.500 11.631 ( 8.494 -0.423 0.000) 8.504 13.131 ( 1.042 7.464 0.000) 7.536 13.559 ( 0.519 -11.908 0.000) 11.919 14.446 ( -0.600 -0.801 0.000) 1.000 17.889 ( -12.875 -2.638 0.000) 13.142 29.582 ( 5.689 1.629 0.000) 5.917 30.180 ( 4.425 -1.661 0.000) 4.726 34.179 ( -2.245 0.358 0.000) 2.273 34.547 ( -2.376 -0.606 0.000) 2.452 79.044 ( -8.181 26.453 0.000) 27.690 80.400 ( -23.916 -20.539 0.000) 31.525 ======================= Grid point 62 (35/240) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 15.137 13.877 0.000) 20.535 2.581 ( 2.157 17.551 0.000) 17.683 3.037 ( 8.818 -3.753 0.000) 9.584 3.369 ( 24.184 2.769 0.000) 24.342 3.815 ( -1.242 -3.699 0.000) 3.902 4.290 ( -2.698 3.368 0.000) 4.316 6.423 ( -3.263 -4.119 0.000) 5.255 7.378 ( -5.847 -2.645 0.000) 6.417 8.069 ( 14.044 -3.186 0.000) 14.401 8.897 ( 21.394 0.181 0.000) 21.394 10.538 ( -3.167 13.538 0.000) 13.904 10.858 ( -5.289 -2.297 0.000) 5.767 11.323 ( 1.513 -1.100 0.000) 1.871 11.880 ( 14.951 -0.906 0.000) 14.979 13.092 ( -5.046 7.216 0.000) 8.805 13.588 ( 1.769 -10.315 0.000) 10.466 14.439 ( 0.289 -2.759 0.000) 2.774 17.528 ( -21.295 -1.700 0.000) 21.363 29.747 ( 10.090 1.733 0.000) 10.238 30.303 ( 7.169 -2.674 0.000) 7.651 34.117 ( -3.491 1.039 0.000) 3.642 34.479 ( -4.172 -0.841 0.000) 4.256 78.812 ( -13.760 21.258 0.000) 25.323 79.771 ( -34.779 -9.864 0.000) 36.151 ======================= Grid point 63 (36/240) ======================= q-point: ( 0.21 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.787 14.040 0.000) 14.062 2.669 ( 1.925 17.615 0.000) 17.720 3.147 ( 2.767 -7.091 0.000) 7.612 3.745 ( -6.406 -11.780 0.000) 13.409 3.964 ( 29.625 -1.029 0.000) 29.643 4.338 ( 8.961 6.058 0.000) 10.817 6.359 ( -2.621 -5.861 0.000) 6.420 7.241 ( -7.334 -0.303 0.000) 7.340 8.355 ( 12.967 -4.689 0.000) 13.788 9.212 ( 7.121 0.636 0.000) 7.149 10.512 ( 1.287 13.421 0.000) 13.482 10.847 ( 4.623 -2.624 0.000) 5.316 11.371 ( 3.204 -0.460 0.000) 3.236 12.204 ( 15.067 -0.715 0.000) 15.084 12.956 ( -6.938 5.101 0.000) 8.611 13.601 ( -0.892 -5.994 0.000) 6.060 14.477 ( 3.966 -4.172 0.000) 5.756 17.053 ( -24.032 -1.056 0.000) 24.056 29.982 ( 12.389 1.824 0.000) 12.523 30.460 ( 7.833 -3.375 0.000) 8.529 34.044 ( -3.438 1.493 0.000) 3.748 34.381 ( -5.210 -1.181 0.000) 5.342 78.503 ( -15.697 14.947 0.000) 21.675 79.057 ( -33.067 -2.052 0.000) 33.130 ======================= Grid point 64 (37/240) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -1.404 9.905 0.000) 10.004 2.642 ( -3.116 12.272 0.000) 12.661 3.121 ( -5.020 -4.693 0.000) 6.872 3.556 ( -10.944 -12.593 0.000) 16.684 4.522 ( 23.786 -1.478 0.000) 23.832 4.625 ( 16.651 0.184 0.000) 16.652 6.330 ( 0.215 -7.540 0.000) 7.543 7.085 ( -7.639 0.296 0.000) 7.644 8.576 ( 8.189 -4.155 0.000) 9.183 9.204 ( -5.884 -0.377 0.000) 5.896 10.573 ( 4.209 11.898 0.000) 12.621 11.015 ( 9.488 -2.822 0.000) 9.899 11.457 ( 5.140 0.730 0.000) 5.191 12.404 ( 1.811 0.714 0.000) 1.946 12.894 ( 3.396 3.652 0.000) 4.987 13.556 ( -2.916 -3.341 0.000) 4.435 14.615 ( 9.411 -3.565 0.000) 10.064 16.569 ( -22.485 -0.578 0.000) 22.493 30.241 ( 12.385 1.721 0.000) 12.504 30.613 ( 6.765 -3.429 0.000) 7.585 33.983 ( -2.392 1.459 0.000) 2.802 34.270 ( -5.515 -1.416 0.000) 5.694 78.189 ( -14.449 9.264 0.000) 17.164 78.451 ( -25.376 1.245 0.000) 25.407 ======================= Grid point 65 (38/240) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -5.631 5.190 0.000) 7.658 2.581 ( -3.337 2.718 0.000) 4.304 2.986 ( -6.400 -2.423 0.000) 6.843 3.328 ( -10.674 -10.198 0.000) 14.763 4.918 ( 14.419 -2.734 0.000) 14.676 4.951 ( 14.002 -3.005 0.000) 14.321 6.378 ( 4.437 -8.503 0.000) 9.591 6.932 ( -7.098 -1.448 0.000) 7.244 8.690 ( 3.209 -2.811 0.000) 4.266 9.043 ( -8.508 -1.874 0.000) 8.712 10.685 ( 6.676 9.213 0.000) 11.378 11.157 ( 3.290 -1.412 0.000) 3.580 11.577 ( 6.455 1.339 0.000) 6.593 12.310 ( -8.365 1.055 0.000) 8.431 13.060 ( 9.999 3.729 0.000) 10.672 13.502 ( -2.164 -2.312 0.000) 3.167 14.854 ( 13.390 -1.551 0.000) 13.480 16.140 ( -19.095 0.176 0.000) 19.096 30.478 ( 10.400 1.262 0.000) 10.477 30.730 ( 4.348 -2.881 0.000) 5.216 33.949 ( -0.790 1.005 0.000) 1.278 34.159 ( -5.141 -1.382 0.000) 5.323 77.924 ( -10.954 5.128 0.000) 12.095 78.022 ( -16.320 1.792 0.000) 16.418 ======================= Grid point 66 (39/240) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -3.461 -1.749 0.000) 3.878 2.467 ( -7.287 -5.696 0.000) 9.249 2.922 ( 0.594 -0.233 0.000) 0.638 3.131 ( -8.320 -6.336 0.000) 10.458 5.134 ( 7.080 -4.392 0.000) 8.332 5.164 ( 6.380 -3.145 0.000) 7.113 6.501 ( 7.054 -8.467 0.000) 11.021 6.792 ( -6.725 -4.556 0.000) 8.123 8.732 ( 1.605 -2.212 0.000) 2.733 8.884 ( -6.570 -2.714 0.000) 7.109 10.841 ( 8.259 6.734 0.000) 10.657 11.142 ( -4.241 1.547 0.000) 4.514 11.727 ( 8.250 0.928 0.000) 8.302 12.116 ( -9.921 0.708 0.000) 9.947 13.250 ( 8.098 2.987 0.000) 8.632 13.459 ( -2.432 -1.251 0.000) 2.735 15.148 ( 14.881 0.463 0.000) 14.888 15.779 ( -16.300 1.079 0.000) 16.336 30.659 ( 7.058 0.411 0.000) 7.070 30.785 ( 0.928 -1.902 0.000) 2.116 33.952 ( 1.010 0.314 0.000) 1.057 34.062 ( -4.172 -1.030 0.000) 4.297 77.749 ( -5.875 2.700 0.000) 6.466 77.775 ( -7.839 1.452 0.000) 7.972 ======================= Grid point 67 (40/240) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -1.976 -6.629 0.000) 6.917 2.343 ( 1.976 -6.629 0.000) 6.917 2.989 ( -2.813 -2.392 0.000) 3.693 2.989 ( 2.813 -2.392 0.000) 3.693 5.217 ( -0.269 -3.975 0.000) 3.984 5.217 ( 0.269 -3.975 0.000) 3.984 6.650 ( -4.355 -7.200 0.000) 8.415 6.650 ( 4.355 -7.200 0.000) 8.415 8.781 ( -2.760 -2.548 0.000) 3.756 8.781 ( 2.760 -2.548 0.000) 3.756 11.011 ( -6.716 4.341 0.000) 7.997 11.011 ( 6.716 4.341 0.000) 7.997 11.913 ( -5.975 0.664 0.000) 6.011 11.913 ( 5.975 0.664 0.000) 6.011 13.385 ( -4.308 0.801 0.000) 4.382 13.385 ( 4.308 0.801 0.000) 4.382 15.458 ( -15.004 1.391 0.000) 15.069 15.458 ( 15.004 1.391 0.000) 15.069 30.764 ( -2.945 -0.718 0.000) 3.031 30.764 ( 2.945 -0.718 0.000) 3.031 33.990 ( -2.729 -0.422 0.000) 2.761 33.990 ( 2.729 -0.422 0.000) 2.761 77.691 ( -0.118 1.572 0.000) 1.577 77.691 ( 0.118 1.572 0.000) 1.577 ======================= Grid point 75 (41/240) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 -0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 10.757 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 -0.000 0.000) 0.000 14.453 ( 0.000 0.000 0.000) 0.000 17.992 ( 0.000 0.000 0.000) 0.000 29.539 ( 0.000 0.000 0.000) 0.000 30.120 ( 0.000 0.000 0.000) 0.000 34.203 ( 0.000 0.000 0.000) 0.000 34.567 ( 0.000 0.000 0.000) 0.000 79.543 ( 0.000 0.000 0.000) 0.000 80.275 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (42/240) ======================= q-point: ( 0.07 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 18.680 0.000 0.000) 18.680 2.620 ( 19.243 -0.000 0.000) 19.243 2.824 ( -1.297 0.000 0.000) 1.297 3.232 ( 0.725 0.000 0.000) 0.725 3.855 ( -3.431 0.000 0.000) 3.431 4.360 ( -1.317 0.000 0.000) 1.317 6.449 ( -2.647 0.000 0.000) 2.647 7.407 ( -2.138 0.000 0.000) 2.138 7.826 ( 7.993 0.000 0.000) 7.993 8.453 ( 18.162 0.000 0.000) 18.162 10.747 ( -0.872 0.000 0.000) 0.872 10.985 ( -9.263 0.000 0.000) 9.263 11.284 ( 0.735 0.000 0.000) 0.735 11.627 ( 8.394 0.000 0.000) 8.394 13.294 ( 6.915 0.000 0.000) 6.915 13.348 ( -5.102 -0.000 0.000) 5.102 14.438 ( -1.341 0.000 0.000) 1.341 17.860 ( -12.448 0.000 0.000) 12.448 29.600 ( 5.734 0.000 0.000) 5.734 30.162 ( 3.972 0.000 0.000) 3.972 34.182 ( -1.949 0.000 0.000) 1.949 34.541 ( -2.452 0.000 0.000) 2.452 79.423 ( -11.280 0.000 0.000) 11.280 80.082 ( -18.002 0.000 0.000) 18.002 ======================= Grid point 79 (43/240) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 20.636 0.000 0.000) 20.636 2.797 ( -0.344 0.000 0.000) 0.344 2.963 ( 6.425 -0.000 0.000) 6.425 3.395 ( 20.610 0.000 0.000) 20.610 3.750 ( -6.635 0.000 0.000) 6.635 4.341 ( 0.139 0.000 0.000) 0.139 6.377 ( -4.093 0.000 0.000) 4.093 7.343 ( -4.131 0.000 0.000) 4.131 8.044 ( 12.499 0.000 0.000) 12.499 8.899 ( 21.914 0.000 0.000) 21.914 10.726 ( -1.077 0.000 0.000) 1.077 10.792 ( -7.406 0.000 0.000) 7.406 11.309 ( 1.834 0.000 0.000) 1.834 11.871 ( 14.743 0.000 0.000) 14.743 13.202 ( -8.677 0.000 0.000) 8.677 13.444 ( 6.490 -0.000 0.000) 6.490 14.411 ( -0.708 0.000 0.000) 0.708 17.508 ( -20.873 0.000 0.000) 20.873 29.766 ( 10.173 0.000 0.000) 10.173 30.274 ( 6.662 0.000 0.000) 6.662 34.128 ( -3.154 0.000 0.000) 3.154 34.470 ( -4.346 0.000 0.000) 4.346 79.109 ( -18.370 0.000 0.000) 18.370 79.590 ( -28.144 0.000 0.000) 28.144 ======================= Grid point 81 (44/240) ======================= q-point: ( 0.21 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -1.845 0.000 0.000) 1.845 2.941 ( -5.178 0.000 0.000) 5.178 2.983 ( 10.928 -0.000 0.000) 10.928 3.580 ( -9.185 0.000 0.000) 9.185 3.959 ( 28.947 0.000 0.000) 28.947 4.405 ( 6.960 0.000 0.000) 6.960 6.294 ( -3.616 0.000 0.000) 3.616 7.236 ( -6.224 0.000 0.000) 6.224 8.309 ( 12.584 0.000 0.000) 12.584 9.219 ( 6.977 0.000 0.000) 6.977 10.710 ( -0.218 -0.000 0.000) 0.218 10.762 ( 5.342 0.000 0.000) 5.342 11.366 ( 3.866 0.000 0.000) 3.866 12.196 ( 15.478 0.000 0.000) 15.478 13.016 ( -8.395 0.000 0.000) 8.395 13.530 ( 1.611 0.000 0.000) 1.611 14.435 ( 3.713 0.000 0.000) 3.713 17.040 ( -23.774 0.000 0.000) 23.774 30.003 ( 12.431 0.000 0.000) 12.431 30.424 ( 7.587 0.000 0.000) 7.587 34.060 ( -3.298 0.000 0.000) 3.298 34.368 ( -5.397 0.000 0.000) 5.397 78.704 ( -20.145 0.000 0.000) 20.145 78.989 ( -28.936 0.000 0.000) 28.936 ======================= Grid point 83 (45/240) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -3.536 0.000 0.000) 3.536 2.791 ( -9.202 0.000 0.000) 9.202 3.063 ( -2.179 -0.000 0.000) 2.179 3.379 ( -9.876 0.000 0.000) 9.876 4.511 ( 23.813 0.000 0.000) 23.813 4.625 ( 13.319 0.000 0.000) 13.319 6.247 ( -0.532 0.000 0.000) 0.532 7.090 ( -7.877 0.000 0.000) 7.877 8.534 ( 8.762 0.000 0.000) 8.762 9.200 ( -6.668 0.000 0.000) 6.668 10.726 ( 1.973 0.000 0.000) 1.973 10.953 ( 10.578 0.000 0.000) 10.578 11.468 ( 5.856 0.000 0.000) 5.856 12.411 ( 2.493 0.000 0.000) 2.493 12.935 ( 2.976 0.000 0.000) 2.976 13.519 ( -1.983 0.000 0.000) 1.983 14.579 ( 10.193 0.000 0.000) 10.193 16.562 ( -22.162 0.000 0.000) 22.162 30.261 ( 12.269 0.000 0.000) 12.269 30.575 ( 6.866 0.000 0.000) 6.866 33.999 ( -2.508 0.000 0.000) 2.508 34.254 ( -5.590 0.000 0.000) 5.590 78.308 ( -17.847 0.000 0.000) 17.847 78.441 ( -23.655 0.000 0.000) 23.655 ======================= Grid point 85 (46/240) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -7.511 0.000 0.000) 7.511 2.572 ( -11.587 -0.000 0.000) 11.587 2.974 ( -4.389 -0.000 0.000) 4.389 3.191 ( -8.051 0.000 0.000) 8.051 4.894 ( 11.744 0.000 0.000) 11.744 4.916 ( 15.220 -0.000 0.000) 15.220 6.284 ( 4.151 0.000 0.000) 4.151 6.918 ( -8.608 0.000 0.000) 8.608 8.662 ( 3.822 0.000 0.000) 3.822 9.024 ( -9.164 0.000 0.000) 9.164 10.797 ( 4.935 0.000 0.000) 4.935 11.122 ( 5.025 0.000 0.000) 5.025 11.594 ( 6.320 0.000 0.000) 6.320 12.319 ( -8.576 0.000 0.000) 8.576 13.102 ( 10.152 0.000 0.000) 10.152 13.476 ( -1.853 0.000 0.000) 1.853 14.839 ( 14.546 0.000 0.000) 14.546 16.142 ( -18.574 0.000 0.000) 18.574 30.493 ( 10.043 0.000 0.000) 10.043 30.697 ( 4.763 0.000 0.000) 4.763 33.961 ( -1.102 0.000 0.000) 1.102 34.143 ( -5.035 0.000 0.000) 5.035 77.987 ( -13.080 0.000 0.000) 13.080 78.032 ( -15.920 0.000 0.000) 15.920 ======================= Grid point 87 (47/240) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -8.489 0.000 0.000) 8.489 2.374 ( -8.581 -0.000 0.000) 8.581 2.928 ( -0.029 -0.000 0.000) 0.029 3.052 ( -5.544 0.000 0.000) 5.544 5.088 ( 7.006 0.000 0.000) 7.006 5.134 ( 6.081 0.000 0.000) 6.081 6.407 ( 7.343 0.000 0.000) 7.343 6.741 ( -8.510 0.000 0.000) 8.510 8.711 ( 1.629 0.000 0.000) 1.629 8.856 ( -6.683 0.000 0.000) 6.683 10.921 ( 6.739 0.000 0.000) 6.739 11.149 ( -2.128 0.000 0.000) 2.128 11.737 ( 7.850 0.000 0.000) 7.850 12.122 ( -10.066 0.000 0.000) 10.066 13.286 ( 7.158 -0.000 0.000) 7.158 13.443 ( -1.602 0.000 0.000) 1.602 15.155 ( 15.692 0.000 0.000) 15.692 15.791 ( -15.863 0.000 0.000) 15.863 30.665 ( 6.471 0.000 0.000) 6.471 30.763 ( 1.561 0.000 0.000) 1.561 33.955 ( 0.603 0.000 0.000) 0.603 34.051 ( -3.890 0.000 0.000) 3.890 77.779 ( -6.915 0.000 0.000) 6.915 77.789 ( -7.811 0.000 0.000) 7.811 ======================= Grid point 89 (48/240) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.762 0.000 0.000) 0.762 2.267 ( 0.762 0.000 0.000) 0.762 2.962 ( -3.107 0.000 0.000) 3.107 2.962 ( 3.107 0.000 0.000) 3.107 5.177 ( -1.452 0.000 0.000) 1.452 5.177 ( 1.452 0.000 0.000) 1.452 6.569 ( -8.227 0.000 0.000) 8.227 6.569 ( 8.227 0.000 0.000) 8.227 8.755 ( -3.213 0.000 0.000) 3.213 8.755 ( 3.213 0.000 0.000) 3.213 11.058 ( -6.113 0.000 0.000) 6.113 11.058 ( 6.113 0.000 0.000) 6.113 11.918 ( -9.537 0.000 0.000) 9.537 11.918 ( 9.537 0.000 0.000) 9.537 13.394 ( -3.557 0.000 0.000) 3.557 13.394 ( 3.557 0.000 0.000) 3.557 15.474 ( -15.304 0.000 0.000) 15.304 15.474 ( 15.304 0.000 0.000) 15.304 30.756 ( -2.364 0.000 0.000) 2.364 30.756 ( 2.364 0.000 0.000) 2.364 33.986 ( -2.344 0.000 0.000) 2.344 33.986 ( 2.344 0.000 0.000) 2.344 77.708 ( -0.121 0.000 0.000) 0.121 77.708 ( 0.121 0.000 0.000) 0.121 ======================= Grid point 165 (49/240) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 0.000 25.664) 25.664 0.714 ( 0.000 0.000 33.903) 33.903 1.036 ( 0.000 0.000 49.263) 49.263 2.542 ( 0.000 0.000 -2.504) 2.504 3.318 ( 0.000 0.000 -2.549) 2.549 4.643 ( 0.000 0.000 -2.050) 2.050 7.104 ( 0.000 0.000 5.220) 5.220 7.437 ( 0.000 0.000 3.794) 3.794 8.172 ( 0.000 0.000 -3.625) 3.625 8.305 ( 0.000 0.000 -1.491) 1.491 9.911 ( 0.000 0.000 5.652) 5.652 10.587 ( 0.000 0.000 0.009) 0.009 11.289 ( 0.000 0.000 0.112) 0.112 11.557 ( 0.000 0.000 -1.574) 1.574 12.923 ( 0.000 0.000 -0.256) 0.256 13.702 ( 0.000 0.000 -3.897) 3.897 16.659 ( 0.000 0.000 0.286) 0.286 17.537 ( 0.000 0.000 -4.678) 4.678 29.411 ( 0.000 0.000 2.496) 2.496 30.200 ( 0.000 0.000 -2.386) 2.386 33.764 ( 0.000 0.000 3.266) 3.266 34.874 ( 0.000 0.000 -3.559) 3.559 77.804 ( 0.000 0.000 3.181) 3.181 79.076 ( 0.000 0.000 -4.745) 4.745 ======================= Grid point 166 (50/240) ======================= q-point: ( 0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 15.288 0.000 22.913) 27.545 0.916 ( 17.245 0.000 25.361) 30.668 1.477 ( 42.218 0.000 27.613) 50.446 2.817 ( 24.677 0.000 -2.960) 24.854 3.268 ( -2.130 0.000 1.451) 2.577 4.616 ( -2.524 0.000 -1.751) 3.072 6.966 ( -13.024 0.000 15.263) 20.065 7.112 ( 0.911 0.000 4.480) 4.572 8.427 ( 11.002 0.000 -1.072) 11.054 8.877 ( 24.466 0.000 -28.361) 37.456 9.934 ( 1.323 0.000 2.124) 2.503 10.487 ( -8.106 0.000 0.557) 8.125 11.320 ( 2.971 0.000 0.601) 3.031 11.659 ( 8.522 0.000 -2.596) 8.909 12.891 ( -2.950 0.000 0.090) 2.951 13.842 ( 7.540 0.000 -13.853) 15.772 16.189 ( -26.522 0.000 25.659) 36.903 17.449 ( -8.364 0.000 -4.573) 9.533 29.468 ( 5.542 0.000 2.447) 6.058 30.518 ( 16.678 0.000 -17.058) 23.857 33.766 ( 0.181 0.000 3.233) 3.238 34.725 ( -8.487 0.000 3.228) 9.080 77.793 ( -1.112 0.000 3.109) 3.302 78.297 ( -38.083 0.000 32.915) 50.335 ======================= Grid point 167 (51/240) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 19.297 0.000 12.136) 22.796 1.328 ( 21.215 0.000 15.647) 26.362 2.436 ( 46.124 0.000 13.758) 48.132 3.269 ( 3.201 0.000 2.037) 3.794 3.438 ( 32.535 0.000 -4.888) 32.900 4.551 ( -2.991 0.000 -0.040) 2.991 6.861 ( -0.473 0.000 7.142) 7.158 7.145 ( 2.254 0.000 2.930) 3.697 8.697 ( 13.443 0.000 -0.211) 13.444 9.139 ( 5.947 0.000 -17.214) 18.212 9.946 ( -0.002 0.000 1.883) 1.883 10.334 ( -5.115 0.000 0.934) 5.200 11.399 ( 4.308 0.000 2.064) 4.777 11.852 ( 9.388 0.000 -4.526) 10.422 12.810 ( -4.654 0.000 1.016) 4.763 13.911 ( -0.457 0.000 -14.043) 14.051 15.790 ( -13.878 0.000 20.808) 25.012 17.203 ( -15.232 0.000 -4.240) 15.812 29.631 ( 10.059 0.000 2.279) 10.314 30.752 ( 7.600 0.000 -11.613) 13.879 33.773 ( 0.542 0.000 3.139) 3.186 34.589 ( -5.353 0.000 1.365) 5.524 77.761 ( -1.939 0.000 2.948) 3.528 77.818 ( -12.921 0.000 19.972) 23.787 ======================= Grid point 168 (52/240) ======================= q-point: ( 0.21 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 19.053 0.000 5.342) 19.788 1.752 ( 19.578 0.000 9.895) 21.936 3.056 ( 8.668 0.000 3.351) 9.293 3.647 ( 38.134 0.000 7.247) 38.817 3.970 ( 12.474 0.000 -9.763) 15.840 4.603 ( 13.548 0.000 5.010) 14.445 6.883 ( 2.035 0.000 4.211) 4.677 7.201 ( 3.054 0.000 1.414) 3.366 8.914 ( 6.903 0.000 1.061) 6.984 9.224 ( 3.263 0.000 -12.691) 13.104 9.948 ( 0.538 0.000 3.479) 3.520 10.316 ( 3.296 0.000 -0.341) 3.314 11.485 ( 3.898 0.000 4.299) 5.803 12.023 ( 6.739 0.000 -5.733) 8.848 12.719 ( -3.536 0.000 1.774) 3.956 13.851 ( -4.832 0.000 -12.145) 13.071 15.560 ( -9.205 0.000 13.022) 15.947 16.841 ( -19.455 0.000 -3.632) 19.791 29.870 ( 12.840 0.000 1.954) 12.988 30.872 ( 4.541 0.000 -6.940) 8.293 33.790 ( 1.184 0.000 2.993) 3.219 34.485 ( -4.995 0.000 -0.104) 4.996 77.645 ( -5.351 0.000 10.429) 11.722 77.716 ( -2.349 0.000 2.814) 3.666 ======================= Grid point 169 (53/240) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 17.512 0.000 1.929) 17.618 2.121 ( 16.152 0.000 6.243) 17.316 3.110 ( 0.045 0.000 1.558) 1.559 3.948 ( -9.008 0.000 -7.436) 11.681 4.486 ( 39.188 0.000 6.245) 39.683 5.075 ( 26.141 0.000 3.447) 26.367 6.934 ( 2.896 0.000 3.266) 4.365 7.259 ( 2.189 0.000 0.476) 2.241 9.002 ( 2.894 0.000 2.041) 3.542 9.290 ( 3.170 0.000 -11.534) 11.961 9.976 ( 2.298 0.000 3.985) 4.600 10.419 ( 4.985 0.000 -2.925) 5.779 11.557 ( 3.155 0.000 6.334) 7.076 12.107 ( 0.942 0.000 -3.573) 3.695 12.700 ( 2.453 0.000 -0.017) 2.453 13.728 ( -6.831 0.000 -10.998) 12.947 15.401 ( -6.231 0.000 8.058) 10.187 16.425 ( -20.497 0.000 -2.692) 20.673 30.146 ( 13.629 0.000 1.447) 13.706 30.944 ( 2.452 0.000 -4.412) 5.048 33.823 ( 2.090 0.000 2.785) 3.482 34.380 ( -5.317 0.000 -0.333) 5.327 77.568 ( -2.456 0.000 6.319) 6.779 77.667 ( -2.384 0.000 2.801) 3.678 ======================= Grid point 170 (54/240) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 15.866 0.000 -0.258) 15.869 2.414 ( 12.360 0.000 3.543) 12.858 3.094 ( -1.395 0.000 1.759) 2.245 3.708 ( -13.383 0.000 -4.692) 14.181 5.196 ( 29.222 0.000 4.477) 29.563 5.553 ( 19.199 0.000 2.114) 19.315 7.004 ( 3.939 0.000 2.947) 4.919 7.281 ( -0.143 0.000 0.511) 0.530 9.071 ( 4.256 0.000 1.447) 4.495 9.344 ( 1.801 0.000 -10.321) 10.477 10.046 ( 4.544 0.000 2.403) 5.140 10.475 ( 0.061 0.000 -5.070) 5.070 11.621 ( 3.286 0.000 7.270) 7.978 12.062 ( -4.697 0.000 0.953) 4.793 12.821 ( 8.565 0.000 -3.720) 9.338 13.576 ( -7.855 0.000 -9.893) 12.632 15.311 ( -2.295 0.000 5.023) 5.522 16.018 ( -18.545 0.000 -1.426) 18.600 30.418 ( 12.583 0.000 0.776) 12.607 30.969 ( -0.135 0.000 -2.878) 2.881 33.877 ( 3.139 0.000 2.480) 4.000 34.268 ( -5.542 0.000 0.072) 5.543 77.536 ( -0.803 0.000 4.590) 4.660 77.619 ( -2.162 0.000 2.925) 3.637 ======================= Grid point 171 (55/240) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 12.234 0.000 -2.335) 12.455 2.628 ( 8.306 0.000 1.121) 8.381 3.067 ( -0.324 0.000 2.659) 2.678 3.420 ( -14.235 0.000 -2.101) 14.389 5.671 ( 16.736 0.000 3.078) 17.016 5.839 ( 8.250 0.000 1.797) 8.443 7.094 ( 4.624 0.000 2.695) 5.352 7.253 ( -2.455 0.000 1.298) 2.777 9.177 ( 5.687 0.000 -0.744) 5.736 9.351 ( -1.399 0.000 -7.522) 7.651 10.161 ( 6.488 0.000 -0.968) 6.560 10.424 ( -4.637 0.000 -5.604) 7.274 11.700 ( 4.547 0.000 6.883) 8.249 11.942 ( -6.503 0.000 3.845) 7.555 13.018 ( 10.035 0.000 -5.905) 11.643 13.406 ( -8.640 0.000 -8.582) 12.178 15.316 ( 2.965 0.000 3.049) 4.253 15.677 ( -14.348 0.000 0.031) 14.348 30.654 ( 10.137 0.000 -0.007) 10.137 30.934 ( -3.351 0.000 -1.778) 3.794 33.952 ( 4.153 0.000 2.036) 4.625 34.154 ( -5.441 0.000 0.739) 5.491 77.532 ( 0.351 0.000 3.832) 3.848 77.579 ( -1.763 0.000 3.146) 3.606 ======================= Grid point 172 (56/240) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.531 0.000 -1.812) 1.888 2.735 ( 0.531 0.000 -1.812) 1.888 3.155 ( -9.210 0.000 1.326) 9.305 3.155 ( 9.210 0.000 1.326) 9.305 5.884 ( -4.014 0.000 2.151) 4.554 5.884 ( 4.014 0.000 2.151) 4.554 7.185 ( -3.941 0.000 2.160) 4.494 7.185 ( 3.941 0.000 2.160) 4.494 9.287 ( -3.923 0.000 -3.945) 5.563 9.287 ( 3.923 0.000 -3.945) 5.563 10.302 ( -6.203 0.000 -4.141) 7.458 10.302 ( 6.203 0.000 -4.141) 7.458 11.810 ( -4.049 0.000 5.631) 6.936 11.810 ( 4.049 0.000 5.631) 6.936 13.220 ( -9.183 0.000 -7.273) 11.714 13.220 ( 9.183 0.000 -7.273) 11.714 15.437 ( -8.632 0.000 1.510) 8.763 15.437 ( 8.632 0.000 1.510) 8.763 30.830 ( -6.834 0.000 -0.856) 6.888 30.830 ( 6.834 0.000 -0.856) 6.888 34.046 ( -4.959 0.000 1.439) 5.163 34.046 ( 4.959 0.000 1.439) 5.163 77.548 ( -0.778 0.000 3.431) 3.518 77.548 ( 0.778 0.000 3.431) 3.518 ======================= Grid point 180 (57/240) ======================= q-point: ( 0.00 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 15.518 14.955) 21.551 0.766 ( 0.000 17.877 16.659) 24.436 1.563 ( 0.000 34.454 37.393) 50.846 2.537 ( 0.000 -0.487 -2.460) 2.508 3.331 ( 0.000 4.023 -0.431) 4.046 4.638 ( 0.000 -1.200 -0.899) 1.499 6.896 ( 0.000 -9.043 12.929) 15.777 7.463 ( 0.000 2.470 3.498) 4.283 8.256 ( 0.000 -3.352 -10.562) 11.081 8.300 ( 0.000 -0.435 -1.578) 1.637 9.761 ( 0.000 1.960 12.734) 12.884 10.925 ( 0.000 14.329 -17.356) 22.507 11.269 ( 0.000 -1.826 0.231) 1.841 11.558 ( 0.000 0.002 -1.473) 1.473 12.921 ( 0.000 0.335 0.086) 0.346 13.713 ( 0.000 -0.755 -10.926) 10.952 15.647 ( 0.000 -39.778 50.565) 64.336 17.997 ( 0.000 10.462 -21.978) 24.341 29.423 ( 0.000 1.152 2.458) 2.714 30.193 ( 0.000 -0.669 -2.306) 2.401 33.976 ( 0.000 10.906 -7.565) 13.273 34.753 ( 0.000 -7.139 2.544) 7.578 77.773 ( 0.000 7.696 6.125) 9.836 80.479 ( 0.000 58.989 -71.007) 92.313 ======================= Grid point 181 (58/240) ======================= q-point: ( 0.07 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 14.391 12.072 9.953) 21.258 1.126 ( 22.535 14.670 15.482) 31.028 1.817 ( 27.160 26.742 27.522) 47.013 2.807 ( 24.239 -0.905 -2.890) 24.428 3.319 ( -0.599 5.325 0.002) 5.359 4.600 ( -3.222 -1.645 -0.622) 3.671 6.852 ( -2.530 -5.094 11.046) 12.424 7.298 ( -6.719 10.128 4.380) 12.919 8.404 ( 11.377 -2.459 -2.489) 11.903 8.717 ( 24.761 -15.287 -17.969) 34.200 9.748 ( -1.058 -0.858 11.846) 11.924 10.768 ( -11.903 13.468 -10.379) 20.755 11.305 ( 2.604 -1.321 -0.241) 2.929 11.657 ( 9.282 -0.299 -2.313) 9.571 12.898 ( -2.605 0.855 -0.073) 2.743 13.805 ( 5.488 -3.834 -15.382) 16.776 15.620 ( -2.680 -30.685 40.339) 50.754 17.754 ( -18.900 12.667 -13.421) 26.415 29.481 ( 5.544 1.164 2.401) 6.153 30.395 ( 14.206 -7.475 -7.724) 17.814 33.926 ( -3.674 9.966 -3.023) 11.043 34.677 ( -5.388 -3.574 2.782) 7.039 77.757 ( -1.516 7.496 5.980) 9.709 79.517 ( -62.761 68.516 -18.774) 94.794 ======================= Grid point 182 (59/240) ======================= q-point: ( 0.14 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 19.026 6.891 4.014) 20.630 1.520 ( 17.297 14.790 15.825) 27.719 2.574 ( 40.000 11.971 13.053) 43.746 3.333 ( 4.745 6.188 1.114) 7.877 3.422 ( 31.351 -1.560 -4.820) 31.757 4.524 ( -3.499 -2.522 0.674) 4.365 6.831 ( 0.329 -2.603 7.449) 7.898 7.224 ( -1.477 6.283 2.604) 6.960 8.681 ( 13.651 -2.008 -1.096) 13.841 9.079 ( 11.264 -8.932 -17.548) 22.685 9.737 ( 0.641 -5.601 10.986) 12.348 10.549 ( -7.783 11.691 -4.932) 14.885 11.373 ( 4.013 -1.922 1.359) 4.653 11.880 ( 10.966 1.661 -4.738) 12.061 12.818 ( -4.773 1.038 0.904) 4.967 13.856 ( -0.616 -5.158 -15.299) 16.157 15.537 ( -5.213 -18.367 25.644) 31.971 17.339 ( -20.724 8.630 -7.193) 23.573 29.643 ( 10.017 1.134 2.248) 10.329 30.645 ( 9.664 -8.221 -7.899) 14.945 33.863 ( -2.172 6.848 1.058) 7.262 34.572 ( -4.801 -1.517 0.892) 5.113 77.715 ( -2.445 6.938 5.536) 9.206 78.535 ( -32.637 46.554 3.598) 56.968 ======================= Grid point 183 (60/240) ======================= q-point: ( 0.21 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 18.547 3.729 1.055) 18.948 1.864 ( 16.066 9.846 11.816) 22.241 3.097 ( 6.938 3.453 2.102) 8.030 3.724 ( 36.231 7.024 6.578) 37.488 3.956 ( 13.275 -1.233 -9.051) 16.115 4.556 ( 12.052 -4.479 5.349) 13.925 6.853 ( 1.683 -2.823 5.270) 6.210 7.215 ( 0.335 1.094 1.359) 1.777 8.900 ( 6.891 -1.838 0.456) 7.147 9.229 ( 4.250 -1.700 -14.891) 15.579 9.791 ( 4.567 -6.169 9.543) 12.247 10.482 ( 1.275 10.412 -4.103) 11.264 11.463 ( 4.540 -1.739 3.834) 6.191 12.071 ( 7.032 3.759 -6.061) 10.016 12.725 ( -3.474 0.832 1.903) 4.048 13.798 ( -4.565 -4.946 -13.416) 15.010 15.419 ( -5.868 -11.579 16.104) 20.685 16.904 ( -21.583 4.617 -4.881) 22.605 29.881 ( 12.753 1.017 1.947) 12.940 30.804 ( 6.073 -5.829 -5.632) 10.128 33.838 ( -0.315 4.016 2.241) 4.610 34.474 ( -4.892 -1.093 -0.258) 5.020 77.661 ( -2.682 6.076 4.876) 8.240 78.063 ( -15.689 25.360 4.529) 30.162 ======================= Grid point 184 (61/240) ======================= q-point: ( 0.29 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 16.974 1.864 -0.300) 17.078 2.172 ( 13.696 4.947 7.941) 16.586 3.129 ( -0.957 1.531 0.543) 1.886 3.941 ( -8.868 -0.667 -6.444) 10.982 4.514 ( 36.784 2.530 5.689) 37.307 5.006 ( 25.310 -6.398 3.685) 26.365 6.897 ( 2.659 -3.390 3.899) 5.811 7.228 ( 0.681 -2.842 0.839) 3.040 8.982 ( 2.161 -2.064 1.514) 3.350 9.283 ( 1.505 -2.020 -12.017) 12.278 9.909 ( 6.595 -1.729 6.525) 9.437 10.556 ( 4.198 9.986 -5.699) 12.240 11.553 ( 4.080 -0.346 6.427) 7.620 12.150 ( 0.431 3.767 -3.967) 5.488 12.709 ( 2.513 0.952 0.087) 2.689 13.685 ( -6.060 -3.963 -11.879) 13.912 15.311 ( -4.265 -7.686 10.281) 13.527 16.460 ( -21.298 2.727 -3.390) 21.737 30.154 ( 13.489 0.801 1.473) 13.592 30.901 ( 3.431 -3.838 -3.828) 6.415 33.847 ( 1.211 2.124 2.435) 3.451 34.369 ( -5.285 -1.002 -0.395) 5.394 77.608 ( -2.383 4.869 4.224) 6.872 77.825 ( -8.400 12.837 3.664) 15.773 ======================= Grid point 185 (62/240) ======================= q-point: ( 0.36 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 15.281 0.476 -1.202) 15.335 2.423 ( 10.733 1.202 4.547) 11.718 3.092 ( -2.333 -0.308 0.973) 2.546 3.704 ( -13.256 -0.486 -3.595) 13.743 5.178 ( 27.051 -1.768 4.121) 27.420 5.468 ( 18.494 -7.744 2.427) 20.196 6.966 ( 3.986 -3.601 3.071) 6.187 7.234 ( -0.294 -4.371 0.959) 4.485 9.027 ( 2.751 -3.868 1.064) 4.865 9.297 ( -0.268 -4.991 -9.095) 10.378 10.059 ( 7.925 3.230 2.602) 8.945 10.603 ( -0.158 10.059 -6.998) 12.255 11.629 ( 3.436 0.776 7.411) 8.205 12.100 ( -4.662 3.425 0.874) 5.850 12.827 ( 8.367 0.699 -3.864) 9.243 13.554 ( -6.671 -2.055 -10.295) 12.439 15.257 ( -0.741 -4.640 6.516) 8.034 16.042 ( -18.986 1.888 -1.865) 19.171 30.423 ( 12.381 0.472 0.842) 12.419 30.943 ( 0.531 -2.410 -2.539) 3.540 33.887 ( 2.587 0.882 2.277) 3.558 34.258 ( -5.492 -0.933 0.022) 5.571 77.567 ( -1.488 3.295 3.716) 5.185 77.693 ( -4.828 6.190 3.308) 8.519 ======================= Grid point 186 (63/240) ======================= q-point: ( 0.43 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 10.560 -1.692 -1.152) 10.757 2.615 ( 8.272 -0.543 0.051) 8.290 3.051 ( -0.625 -1.471 2.198) 2.718 3.419 ( -13.973 -0.182 -1.012) 14.011 5.612 ( 14.998 -5.442 2.966) 16.228 5.744 ( 8.133 -8.517 2.103) 11.963 7.057 ( 4.681 -3.560 2.531) 6.402 7.211 ( -1.978 -3.960 1.557) 4.692 9.101 ( 4.264 -6.386 -0.877) 7.729 9.270 ( -2.371 -7.230 -5.913) 9.636 10.231 ( 8.597 6.772 -1.645) 11.067 10.547 ( -5.053 9.895 -6.528) 12.886 11.704 ( 3.977 0.654 6.256) 7.442 11.983 ( -6.120 3.562 4.582) 8.434 13.024 ( 10.113 0.601 -6.197) 11.876 13.407 ( -7.749 -0.007 -8.673) 11.630 15.290 ( 4.185 -2.115 3.827) 6.052 15.691 ( -14.882 1.168 -0.098) 14.928 30.654 ( 9.860 0.011 0.100) 9.860 30.920 ( -2.865 -1.359 -1.537) 3.524 33.953 ( 3.802 0.060 1.900) 4.251 34.146 ( -5.327 -0.777 0.673) 5.425 77.550 ( -0.149 1.900 3.304) 3.814 77.615 ( -2.809 3.117 3.387) 5.393 ======================= Grid point 187 (64/240) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.000 -2.775 -1.730) 3.271 2.719 ( 0.000 -1.815 -1.664) 2.462 3.108 ( 0.000 -2.335 0.271) 2.350 3.191 ( 0.000 1.272 2.997) 3.256 5.793 ( 0.000 -8.162 2.193) 8.451 5.800 ( -0.000 -7.548 2.392) 7.918 7.136 ( 0.000 -4.496 1.628) 4.781 7.163 ( -0.000 -2.502 2.587) 3.599 9.175 ( -0.000 -8.224 -4.194) 9.232 9.217 ( 0.000 -7.278 -2.230) 7.612 10.384 ( 0.000 8.545 -6.410) 10.682 10.429 ( 0.000 9.212 -3.119) 9.726 11.768 ( 0.000 -0.432 3.813) 3.838 11.894 ( 0.000 4.462 7.546) 8.767 13.206 ( -0.000 -0.095 -8.275) 8.275 13.252 ( 0.000 1.669 -6.586) 6.794 15.416 ( 0.000 -0.850 1.012) 1.322 15.454 ( 0.000 0.602 2.493) 2.564 30.817 ( -0.000 -0.819 -0.922) 1.233 30.829 ( 0.000 -0.342 -0.454) 0.568 34.040 ( -0.000 -0.529 1.283) 1.388 34.043 ( 0.000 -0.406 1.404) 1.462 77.555 ( 0.000 1.268 2.788) 3.063 77.581 ( -0.000 2.321 3.827) 4.476 ======================= Grid point 195 (65/240) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 19.487 8.467) 21.247 1.229 ( 0.000 29.525 -9.058) 30.883 2.292 ( 0.000 33.538 27.022) 43.070 2.519 ( 0.000 -1.281 -2.323) 2.653 3.480 ( 0.000 8.904 -3.883) 9.714 4.597 ( 0.000 -2.203 2.558) 3.376 6.777 ( 0.000 -3.822 10.928) 11.577 7.535 ( 0.000 4.185 2.712) 4.987 8.042 ( 0.000 -13.838 -3.687) 14.320 8.287 ( 0.000 -0.904 -1.818) 2.030 9.970 ( 0.000 14.432 2.898) 14.721 11.107 ( 0.000 4.934 -14.984) 15.776 11.220 ( 0.000 -2.619 0.608) 2.689 11.555 ( 0.000 -0.291 -1.258) 1.291 12.942 ( 0.000 1.441 -0.055) 1.442 13.636 ( 0.000 -6.256 -16.676) 17.811 15.150 ( 0.000 -13.261 42.758) 44.767 18.050 ( 0.000 -2.064 -15.362) 15.500 29.456 ( 0.000 2.002 2.346) 3.084 30.173 ( 0.000 -1.221 -2.086) 2.417 34.123 ( 0.000 4.086 -4.899) 6.379 34.641 ( 0.000 -3.789 1.285) 4.001 78.077 ( 0.000 20.108 4.435) 20.591 81.058 ( 0.000 5.372 -43.159) 43.492 ======================= Grid point 196 (66/240) ======================= q-point: ( 0.07 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 7.571 24.234 -5.138) 25.904 1.480 ( 21.566 18.568 6.052) 29.095 2.417 ( 13.624 28.229 21.921) 38.250 2.780 ( 23.302 -1.534 -2.213) 23.457 3.480 ( 0.184 9.260 -3.334) 9.844 4.553 ( -3.959 -2.496 2.546) 5.328 6.766 ( -0.718 -3.664 10.170) 10.833 7.469 ( -5.105 6.371 2.607) 8.570 8.221 ( 14.104 -15.868 -3.822) 21.572 8.481 ( 17.178 -3.609 -3.253) 17.852 9.926 ( -3.776 14.035 2.938) 14.828 10.954 ( -11.312 5.258 -9.138) 15.464 11.272 ( 2.684 -1.640 -2.353) 3.928 11.644 ( 9.130 -0.901 -1.950) 9.379 12.933 ( -1.591 2.401 -0.124) 2.883 13.677 ( 2.732 -8.169 -17.960) 19.919 15.172 ( 1.632 -13.875 38.398) 40.860 17.870 ( -16.109 0.405 -12.943) 20.669 29.515 ( 5.554 2.010 2.297) 6.338 30.276 ( 8.841 -4.144 -3.122) 10.251 34.080 ( -3.740 4.835 -3.110) 6.859 34.607 ( -2.926 -2.905 0.816) 4.203 78.050 ( -2.589 19.281 4.302) 19.924 80.440 ( -50.406 21.194 -26.658) 60.832 ======================= Grid point 197 (67/240) ======================= q-point: ( 0.14 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 12.172 17.459 -5.873) 22.079 1.875 ( 15.206 18.304 12.114) 26.702 2.856 ( 25.176 13.001 9.370) 29.843 3.370 ( 31.220 -2.837 -3.743) 31.571 3.523 ( 6.627 11.229 -0.230) 13.041 4.454 ( -5.104 -3.866 3.194) 7.156 6.757 ( -0.055 -4.377 9.005) 10.013 7.354 ( -5.843 5.285 1.822) 8.087 8.531 ( 14.632 -13.953 -1.766) 20.295 8.873 ( 18.223 -4.740 -6.594) 19.950 9.851 ( -2.513 12.809 3.418) 13.494 10.738 ( -7.852 6.626 -5.887) 11.841 11.334 ( 3.593 -1.833 -0.649) 4.085 11.891 ( 13.379 -0.646 -4.570) 14.153 12.865 ( -4.647 3.608 0.903) 5.952 13.702 ( -0.685 -9.284 -17.973) 20.241 15.190 ( -0.333 -13.696 29.337) 32.378 17.459 ( -22.472 2.520 -9.106) 24.377 29.677 ( 9.944 2.000 2.165) 10.372 30.480 ( 9.955 -6.932 -3.895) 12.741 33.995 ( -3.972 5.208 -0.352) 6.559 34.533 ( -4.062 -2.029 -0.123) 4.542 77.976 ( -4.427 16.950 3.946) 17.958 79.388 ( -46.317 30.370 -7.340) 55.871 ======================= Grid point 198 (68/240) ======================= q-point: ( 0.21 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 13.784 10.254 -5.137) 17.932 2.132 ( 10.574 15.171 12.672) 22.418 3.168 ( 3.758 2.440 -1.551) 4.741 3.891 ( 24.328 4.244 -0.376) 24.698 3.948 ( 21.803 4.453 -0.877) 22.271 4.423 ( 7.852 -7.796 6.433) 12.799 6.764 ( 0.801 -5.694 7.677) 9.592 7.239 ( -5.027 1.117 1.280) 5.306 8.780 ( 8.901 -10.567 -0.074) 13.817 9.147 ( 7.424 -2.735 -8.784) 11.822 9.862 ( 4.081 11.078 4.194) 12.528 10.674 ( 1.653 7.652 -5.842) 9.768 11.424 ( 5.185 -1.982 2.341) 6.024 12.139 ( 9.453 2.100 -6.385) 11.599 12.768 ( -3.943 3.467 2.313) 5.737 13.654 ( -3.610 -8.481 -16.386) 18.801 15.161 ( -2.027 -11.813 21.067) 24.238 16.982 ( -23.406 2.262 -6.344) 24.356 29.912 ( 12.541 1.863 1.918) 12.823 30.666 ( 7.920 -6.748 -3.451) 10.963 33.929 ( -2.341 4.207 1.173) 4.955 34.443 ( -4.747 -1.798 -0.620) 5.114 77.875 ( -5.227 13.577 3.488) 14.961 78.607 ( -29.932 23.524 0.286) 38.071 ======================= Grid point 199 (69/240) ======================= q-point: ( 0.29 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 13.631 4.497 -3.953) 14.887 2.325 ( 8.306 9.435 10.036) 16.085 3.154 ( -3.160 0.362 -2.342) 3.950 3.918 ( -9.058 -1.640 -2.611) 9.568 4.576 ( 30.749 2.931 4.392) 31.199 4.829 ( 23.956 -9.812 3.727) 26.155 6.793 ( 2.065 -6.779 5.824) 9.173 7.156 ( -2.928 -3.368 1.359) 4.665 8.893 ( 2.649 -6.964 0.849) 7.499 9.203 ( -0.544 -3.709 -8.121) 8.944 10.002 ( 8.767 9.752 2.767) 13.402 10.760 ( 4.954 8.863 -8.016) 12.937 11.542 ( 5.981 -0.763 6.170) 8.627 12.243 ( 0.491 4.517 -4.743) 6.568 12.745 ( 2.369 2.687 0.660) 3.643 13.572 ( -4.050 -6.649 -14.144) 16.146 15.128 ( -0.665 -8.849 14.598) 17.083 16.510 ( -22.143 1.704 -4.319) 22.625 30.179 ( 13.109 1.523 1.528) 13.286 30.801 ( 5.221 -5.329 -2.589) 7.897 33.900 ( -0.441 2.697 1.737) 3.238 34.340 ( -5.227 -1.757 -0.543) 5.541 77.767 ( -5.099 9.847 3.083) 11.509 78.124 ( -17.903 14.205 2.540) 22.995 ======================= Grid point 200 (70/240) ======================= q-point: ( 0.36 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 12.327 -0.221 -2.369) 12.554 2.477 ( 6.626 3.836 5.664) 9.524 3.073 ( -4.262 -1.712 -0.873) 4.676 3.681 ( -13.104 -2.023 -0.042) 13.260 5.123 ( 21.788 -3.380 3.324) 22.298 5.263 ( 17.303 -10.857 2.758) 20.612 6.853 ( 3.737 -7.413 3.746) 9.107 7.117 ( -1.078 -6.030 1.854) 6.400 8.920 ( 0.772 -6.196 0.552) 6.268 9.164 ( -2.859 -6.346 -5.969) 9.170 10.201 ( 10.259 9.492 -0.028) 13.976 10.821 ( 0.318 9.766 -9.206) 13.425 11.652 ( 4.496 1.298 8.042) 9.304 12.189 ( -4.808 4.613 0.438) 6.677 12.857 ( 7.939 2.314 -4.040) 9.204 13.492 ( -3.809 -3.794 -11.465) 12.663 15.147 ( 2.724 -5.189 9.512) 11.172 16.081 ( -19.408 1.574 -2.417) 19.621 30.438 ( 11.815 0.945 1.003) 11.896 30.877 ( 2.024 -3.713 -1.725) 4.566 33.910 ( 1.346 1.261 1.800) 2.578 34.230 ( -5.343 -1.648 -0.099) 5.592 77.672 ( -4.008 6.396 2.827) 8.060 77.842 ( -10.043 7.411 3.153) 12.874 ======================= Grid point 201 (71/240) ======================= q-point: ( 0.43 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 7.529 -4.295 0.460) 8.680 2.604 ( 5.472 -1.057 -1.278) 5.718 3.010 ( -0.581 -2.288 1.697) 2.907 3.403 ( -13.324 -1.617 1.913) 13.557 5.461 ( 11.015 -8.523 2.667) 14.180 5.525 ( 8.112 -11.254 2.717) 14.136 6.939 ( 4.221 -7.922 1.940) 9.184 7.099 ( -1.001 -6.385 2.574) 6.956 8.947 ( 2.014 -7.673 -0.837) 7.977 9.095 ( -3.616 -8.326 -3.631) 9.777 10.414 ( 10.277 9.808 -3.054) 14.530 10.767 ( -5.325 10.124 -7.987) 13.952 11.736 ( 3.929 2.368 6.237) 7.742 12.070 ( -6.096 4.348 5.156) 9.091 13.048 ( 9.961 1.819 -6.846) 12.222 13.400 ( -5.496 -0.783 -9.117) 10.675 15.246 ( 6.915 -1.778 5.437) 8.975 15.719 ( -15.619 1.436 -0.183) 15.686 30.655 ( 9.090 0.118 0.374) 9.098 30.881 ( -1.644 -2.213 -0.935) 2.912 33.954 ( 2.917 0.089 1.558) 3.308 34.123 ( -4.993 -1.344 0.507) 5.196 77.611 ( -1.769 3.727 2.599) 4.876 77.692 ( -4.936 3.837 3.413) 7.123 ======================= Grid point 202 (72/240) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.000 -5.781 -1.620) 6.003 2.655 ( 0.000 -4.382 -0.845) 4.462 3.060 ( 0.000 -2.209 0.282) 2.227 3.203 ( 0.000 -0.295 5.080) 5.088 5.578 ( 0.000 -11.474 2.196) 11.683 5.603 ( 0.000 -10.391 3.007) 10.818 6.995 ( 0.000 -8.784 0.463) 8.796 7.080 ( 0.000 -5.512 3.673) 6.624 8.988 ( -0.000 -8.872 -3.255) 9.451 9.038 ( 0.000 -8.745 -0.971) 8.799 10.601 ( -0.000 10.979 -7.446) 13.266 10.631 ( 0.000 9.162 -3.975) 9.987 11.793 ( 0.000 2.612 3.129) 4.076 11.987 ( 0.000 4.247 8.745) 9.722 13.215 ( -0.000 0.847 -9.234) 9.272 13.284 ( 0.000 1.292 -6.589) 6.714 15.409 ( -0.000 0.325 1.233) 1.276 15.466 ( 0.000 0.659 3.424) 3.487 30.798 ( -0.000 -1.014 -0.632) 1.195 30.816 ( 0.000 -0.854 0.113) 0.861 34.026 ( -0.000 -0.793 1.006) 1.281 34.030 ( 0.000 -0.761 1.194) 1.416 77.596 ( 0.000 2.568 2.182) 3.370 77.638 ( -0.000 2.913 3.825) 4.808 ======================= Grid point 210 (73/240) ======================= q-point: ( 0.00 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 16.086 4.148) 16.613 1.844 ( 0.000 28.466 -15.257) 32.297 2.481 ( 0.000 -2.413 -2.086) 3.190 2.885 ( 0.000 20.905 12.990) 24.612 3.676 ( 0.000 10.359 -2.032) 10.557 4.560 ( 0.000 -1.448 7.256) 7.399 6.708 ( 0.000 -2.876 11.731) 12.078 7.628 ( 0.000 4.524 1.716) 4.838 7.754 ( 0.000 -12.929 -0.301) 12.933 8.263 ( 0.000 -1.266 -2.147) 2.492 10.284 ( 0.000 14.643 -3.120) 14.971 11.167 ( 0.000 -2.317 1.167) 2.595 11.171 ( 0.000 1.518 -12.774) 12.864 11.546 ( 0.000 -0.537 -1.050) 1.179 12.965 ( 0.000 0.172 -3.297) 3.301 13.489 ( 0.000 -6.703 -16.536) 17.842 14.967 ( 0.000 -5.659 35.161) 35.613 17.976 ( 0.000 -4.215 -12.819) 13.494 29.502 ( 0.000 2.226 2.186) 3.120 30.144 ( 0.000 -1.444 -1.792) 2.301 34.176 ( 0.000 1.428 -1.977) 2.439 34.582 ( 0.000 -1.995 -0.858) 2.171 78.576 ( 0.000 26.863 3.956) 27.153 80.936 ( 0.000 -14.211 -22.031) 26.216 ======================= Grid point 211 (74/240) ======================= q-point: ( 0.07 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 13.176 18.133 0.214) 22.416 1.910 ( 9.711 23.280 -9.637) 27.002 2.715 ( 20.334 -2.142 -1.914) 20.536 2.934 ( 5.873 16.470 9.800) 20.044 3.687 ( 1.417 10.910 -0.976) 11.045 4.509 ( -4.634 -1.569 7.249) 8.746 6.691 ( -1.487 -3.411 11.499) 12.086 7.556 ( -5.421 1.081 1.407) 5.704 7.918 ( 13.401 -10.629 0.302) 17.107 8.448 ( 16.535 -0.852 -2.739) 16.782 10.243 ( -3.621 15.178 -3.307) 15.951 11.016 ( -9.576 1.058 -4.967) 10.840 11.239 ( 2.443 -1.547 -5.500) 6.214 11.625 ( 8.193 -0.763 -1.726) 8.407 12.986 ( 0.844 2.124 -2.144) 3.134 13.491 ( 0.158 -8.658 -17.961) 19.940 14.970 ( 0.224 -6.516 33.669) 34.294 17.832 ( -13.419 -3.096 -11.761) 18.110 29.561 ( 5.586 2.253 2.148) 6.395 30.208 ( 5.826 -2.618 -1.971) 6.685 34.147 ( -2.712 1.941 -1.424) 3.627 34.558 ( -2.316 -1.864 -0.932) 3.116 78.525 ( -4.810 25.446 3.848) 26.180 80.566 ( -32.893 -5.758 -16.856) 37.407 ======================= Grid point 212 (75/240) ======================= q-point: ( 0.14 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 5.650 21.007 -10.547) 24.175 2.250 ( 15.904 16.955 6.883) 24.245 3.035 ( 9.842 2.438 -0.166) 10.141 3.326 ( 29.954 -0.629 -1.679) 30.007 3.770 ( 8.269 11.213 2.689) 14.189 4.384 ( -7.020 -2.128 7.422) 10.435 6.656 ( -1.791 -5.024 10.935) 12.167 7.421 ( -7.547 0.835 1.405) 7.722 8.235 ( 16.121 -11.377 1.062) 19.760 8.848 ( 19.516 0.329 -4.187) 19.963 10.163 ( -3.198 15.647 -3.443) 16.338 10.833 ( -6.476 2.500 -4.171) 8.098 11.292 ( 3.110 -2.153 -3.648) 5.255 11.867 ( 14.198 -1.307 -3.792) 14.754 12.961 ( -3.412 5.154 0.427) 6.196 13.489 ( -0.619 -10.583 -19.738) 22.405 14.968 ( -0.539 -7.820 29.639) 30.658 17.464 ( -21.254 -1.349 -9.425) 23.289 29.723 ( 9.931 2.311 2.040) 10.398 30.361 ( 8.509 -4.509 -2.130) 9.863 34.077 ( -3.766 2.734 -0.305) 4.664 34.493 ( -3.865 -1.787 -1.049) 4.385 78.387 ( -8.313 21.634 3.548) 23.446 79.760 ( -41.513 6.331 -7.732) 42.698 ======================= Grid point 213 (76/240) ======================= q-point: ( 0.21 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 6.779 15.027 -9.558) 19.056 2.469 ( 6.200 16.394 10.967) 20.676 3.166 ( 1.773 -3.106 -6.192) 7.151 3.897 ( 17.006 0.003 -1.988) 17.122 4.081 ( 22.054 0.276 5.019) 22.620 4.291 ( 4.085 -0.670 7.300) 8.392 6.624 ( -1.123 -7.319 9.875) 12.343 7.258 ( -7.952 0.561 1.539) 8.119 8.536 ( 12.274 -10.551 1.366) 16.243 9.140 ( 7.214 0.928 -5.528) 9.135 10.150 ( 2.455 14.931 -2.945) 15.416 10.795 ( 2.929 3.700 -5.000) 6.875 11.378 ( 5.443 -2.370 -0.267) 5.943 12.157 ( 12.630 0.037 -5.656) 13.838 12.867 ( -4.731 5.635 2.451) 7.755 13.462 ( -1.860 -9.422 -19.368) 21.618 14.954 ( -0.462 -7.789 24.242) 25.467 16.997 ( -23.376 -0.501 -6.966) 24.397 29.956 ( 12.339 2.275 1.847) 12.683 30.538 ( 8.333 -5.277 -1.909) 10.046 34.003 ( -3.152 2.844 0.619) 4.290 34.403 ( -4.786 -1.906 -0.996) 5.247 78.197 ( -9.855 16.514 3.133) 19.484 78.966 ( -34.377 10.236 -1.495) 35.900 ======================= Grid point 214 (77/240) ======================= q-point: ( 0.29 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 7.262 8.171 -7.108) 13.040 2.547 ( 1.958 11.048 9.719) 14.844 3.128 ( -4.361 -2.766 -4.998) 7.187 3.859 ( -10.629 -4.620 4.750) 12.525 4.605 ( 24.969 -3.152 2.599) 25.301 4.654 ( 22.240 -3.074 2.735) 22.618 6.617 ( 0.689 -9.488 8.003) 12.432 7.110 ( -6.105 -0.920 1.842) 6.443 8.721 ( 5.708 -8.107 0.996) 9.964 9.163 ( -3.283 -0.666 -5.378) 6.336 10.251 ( 6.816 12.859 -2.733) 14.808 10.906 ( 5.900 4.633 -8.034) 10.992 11.520 ( 8.012 -1.288 5.051) 9.558 12.322 ( 2.244 2.887 -4.792) 6.028 12.823 ( 1.674 4.529 1.351) 5.014 13.423 ( -1.548 -7.115 -16.964) 18.461 14.969 ( 2.351 -6.055 18.151) 19.278 16.526 ( -21.984 -0.059 -4.745) 22.491 30.216 ( 12.626 1.982 1.553) 12.875 30.693 ( 6.472 -4.851 -1.409) 8.210 33.953 ( -1.670 2.218 1.129) 2.998 34.299 ( -5.212 -2.008 -0.700) 5.629 77.994 ( -9.501 11.328 2.710) 15.031 78.367 ( -23.837 8.366 1.508) 25.308 ======================= Grid point 215 (78/240) ======================= q-point: ( 0.36 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 6.427 1.211 -3.442) 7.390 2.566 ( 0.124 3.932 4.786) 6.195 3.024 ( -4.894 -2.477 -1.152) 5.605 3.607 ( -13.116 -5.324 5.630) 15.234 5.040 ( 16.326 -4.911 2.875) 17.289 5.058 ( 16.684 -7.391 1.821) 18.338 6.658 ( 3.225 -10.620 5.277) 12.289 7.012 ( -3.471 -3.713 2.422) 5.630 8.786 ( 1.298 -5.953 0.213) 6.096 9.062 ( -5.686 -3.474 -4.062) 7.804 10.417 ( 9.022 10.483 -3.292) 14.217 10.982 ( 0.970 5.179 -9.964) 11.271 11.677 ( 6.638 0.994 8.718) 11.003 12.275 ( -5.215 3.361 0.259) 6.210 12.927 ( 7.508 4.352 -4.071) 9.586 13.403 ( -0.712 -4.566 -13.221) 14.005 15.059 ( 6.346 -3.092 12.062) 13.976 16.104 ( -18.928 0.680 -2.598) 19.118 30.462 ( 11.019 1.340 1.166) 11.161 30.797 ( 3.519 -3.742 -0.822) 5.202 33.936 ( 0.101 1.217 1.283) 1.772 34.192 ( -5.116 -1.904 -0.227) 5.464 77.817 ( -7.543 7.039 2.373) 10.587 77.977 ( -14.329 5.112 2.718) 15.454 ======================= Grid point 216 (79/240) ======================= q-point: ( 0.43 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 3.698 -4.897 0.541) 6.160 2.556 ( -1.082 -3.763 -1.337) 4.138 2.970 ( 0.615 -1.099 2.837) 3.104 3.342 ( -12.003 -4.287 5.774) 13.993 5.280 ( 7.498 -7.965 2.110) 11.141 5.318 ( 8.175 -8.123 3.050) 11.921 6.739 ( 4.098 -10.457 2.122) 11.430 6.958 ( -2.063 -6.856 3.578) 8.003 8.804 ( 1.053 -5.525 -0.892) 5.695 8.949 ( -4.967 -5.507 -2.374) 7.786 10.611 ( 9.607 8.674 -4.542) 13.717 10.941 ( -4.774 6.141 -8.924) 11.838 11.793 ( 4.983 2.827 7.457) 9.404 12.148 ( -6.471 2.755 5.197) 8.745 13.101 ( 8.726 3.239 -7.480) 11.941 13.373 ( -2.693 -1.798 -9.998) 10.510 15.226 ( 9.738 -0.119 6.818) 11.888 15.750 ( -15.538 1.477 -0.124) 15.608 30.660 ( 7.999 0.346 0.698) 8.037 30.832 ( -0.166 -2.352 -0.236) 2.369 33.957 ( 1.846 0.146 1.155) 2.182 34.092 ( -4.483 -1.505 0.316) 4.740 77.695 ( -4.049 4.053 2.119) 6.108 77.764 ( -6.735 2.873 3.180) 7.983 ======================= Grid point 217 (80/240) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 -7.603 -1.109) 7.683 2.535 ( 0.000 -7.003 0.629) 7.031 3.020 ( 0.000 -1.507 1.815) 2.359 3.175 ( 0.000 -2.380 7.171) 7.556 5.357 ( 0.000 -8.886 2.042) 9.118 5.400 ( 0.000 -8.476 3.387) 9.127 6.792 ( 0.000 -9.827 -0.257) 9.830 6.931 ( 0.000 -8.592 5.148) 10.016 8.830 ( 0.000 -5.853 -2.656) 6.427 8.881 ( 0.000 -6.025 -0.377) 6.036 10.793 ( -0.000 6.339 -5.632) 8.480 10.808 ( 0.000 8.324 -7.455) 11.175 11.863 ( 0.000 3.732 3.822) 5.342 12.059 ( 0.000 2.261 9.369) 9.638 13.238 ( -0.000 1.335 -9.930) 10.019 13.303 ( 0.000 0.530 -7.280) 7.299 15.432 ( -0.000 1.823 1.875) 2.615 15.484 ( 0.000 1.133 3.846) 4.009 30.778 ( -0.000 -0.830 -0.117) 0.838 30.796 ( 0.000 -1.028 0.615) 1.197 34.009 ( -0.000 -0.773 0.720) 1.056 34.013 ( 0.000 -0.830 0.898) 1.223 77.654 ( 0.000 2.769 1.864) 3.338 77.694 ( 0.000 2.326 3.461) 4.170 ======================= Grid point 225 (81/240) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 10.203 1.873) 10.373 2.390 ( 0.000 23.136 -15.560) 27.882 2.421 ( 0.000 -3.011 -1.772) 3.493 3.082 ( 0.000 -1.557 -8.438) 8.581 3.946 ( 0.000 14.442 11.765) 18.628 4.519 ( 0.000 -2.963 9.745) 10.186 6.660 ( 0.000 -1.637 13.648) 13.746 7.530 ( 0.000 -7.982 1.020) 8.047 7.711 ( 0.000 3.079 0.900) 3.208 8.237 ( 0.000 -1.082 -2.448) 2.676 10.549 ( 0.000 9.966 -7.111) 12.243 11.128 ( 0.000 -1.307 1.682) 2.130 11.181 ( 0.000 -0.259 -11.442) 11.445 11.535 ( 0.000 -0.426 -0.914) 1.008 12.932 ( 0.000 -2.944 -14.704) 14.996 13.397 ( 0.000 -1.892 -7.332) 7.572 14.885 ( 0.000 -2.450 31.416) 31.512 17.897 ( 0.000 -2.921 -12.041) 12.390 29.543 ( 0.000 1.533 2.031) 2.544 30.117 ( 0.000 -1.049 -1.528) 1.853 34.194 ( 0.000 0.432 -0.721) 0.840 34.553 ( 0.000 -0.910 -1.938) 2.141 79.159 ( 0.000 27.680 2.762) 27.818 80.543 ( 0.000 -21.728 -10.654) 24.199 ======================= Grid point 226 (82/240) ======================= q-point: ( 0.07 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 18.323 10.169 1.903) 21.042 2.391 ( 1.212 20.871 -14.243) 25.297 2.655 ( 19.805 -2.735 -2.146) 20.107 3.084 ( 1.021 -1.923 -8.621) 8.892 3.944 ( -0.067 12.565 11.720) 17.182 4.477 ( -3.883 -1.972 9.477) 10.430 6.632 ( -2.548 -2.060 13.381) 13.776 7.489 ( -3.511 -5.545 1.181) 6.669 7.827 ( 10.279 0.158 1.295) 10.361 8.431 ( 17.450 -0.714 -2.833) 17.693 10.523 ( -2.448 10.784 -7.348) 13.277 11.012 ( -8.898 -1.076 -1.597) 9.104 11.209 ( 1.574 -1.220 -7.876) 8.124 11.615 ( 7.872 -0.222 -1.493) 8.015 12.994 ( 4.831 -1.444 -13.359) 14.278 13.361 ( -3.286 -3.177 -8.445) 9.603 14.876 ( -0.893 -2.858 30.894) 31.039 17.768 ( -12.137 -2.496 -11.306) 16.774 29.602 ( 5.657 1.570 2.000) 6.202 30.164 ( 4.457 -1.506 -1.502) 4.939 34.172 ( -2.053 0.670 -0.533) 2.224 34.528 ( -2.295 -0.929 -1.852) 3.092 79.073 ( -8.140 25.748 2.802) 27.149 80.304 ( -22.010 -17.179 -8.723) 29.251 ======================= Grid point 227 (83/240) ======================= q-point: ( 0.14 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 3.940 18.475 -9.984) 21.367 2.556 ( 16.494 11.716 0.838) 20.249 2.966 ( 4.471 -7.493 -7.549) 11.538 3.321 ( 26.628 -0.963 -3.924) 26.933 3.947 ( 0.160 5.248 12.038) 13.133 4.383 ( -4.193 1.651 8.189) 9.347 6.564 ( -3.826 -3.365 12.655) 13.642 7.394 ( -5.676 -2.601 1.460) 6.412 8.091 ( 14.359 -3.083 2.056) 14.829 8.856 ( 20.756 0.253 -3.853) 21.112 10.462 ( -2.847 12.192 -7.378) 14.532 10.841 ( -5.901 -1.695 -2.180) 6.515 11.251 ( 2.772 -1.547 -6.200) 6.965 11.848 ( 14.074 -0.457 -2.979) 14.393 13.060 ( -0.158 3.858 -5.606) 6.807 13.291 ( -2.241 -7.502 -15.403) 17.279 14.852 ( -1.251 -3.544 29.115) 29.356 17.427 ( -20.168 -1.698 -9.465) 22.343 29.767 ( 10.025 1.678 1.904) 10.342 30.289 ( 7.287 -2.427 -1.358) 7.800 34.116 ( -3.220 1.150 -0.085) 3.420 34.462 ( -4.022 -1.055 -1.615) 4.461 78.842 ( -13.748 20.821 2.849) 25.113 79.720 ( -32.524 -8.249 -4.620) 33.870 ======================= Grid point 228 (84/240) ======================= q-point: ( 0.21 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 1.034 15.890 -11.444) 19.609 2.763 ( 1.563 9.046 2.985) 9.653 3.057 ( 5.143 -5.310 -5.144) 9.006 3.876 ( 4.517 -4.312 7.145) 9.490 3.970 ( 20.236 -3.905 4.105) 21.014 4.390 ( 7.161 5.513 4.891) 10.276 6.485 ( -3.506 -5.276 11.403) 13.044 7.260 ( -7.155 -0.259 1.774) 7.376 8.378 ( 12.762 -4.545 2.150) 13.717 9.160 ( 6.901 0.786 -4.900) 8.500 10.440 ( 1.209 12.106 -6.939) 14.006 10.816 ( 3.677 -1.732 -2.988) 5.045 11.336 ( 5.868 -1.340 -2.945) 6.701 12.154 ( 14.380 -0.171 -4.568) 15.089 12.981 ( -5.691 4.800 1.823) 7.665 13.284 ( 0.569 -7.041 -21.075) 22.227 14.837 ( 0.208 -3.568 25.631) 25.879 16.976 ( -22.832 -1.114 -7.186) 23.962 30.000 ( 12.290 1.776 1.740) 12.539 30.450 ( 8.038 -3.077 -1.037) 8.669 34.048 ( -3.205 1.442 0.396) 3.537 34.368 ( -5.004 -1.287 -1.256) 5.318 78.533 ( -15.763 14.775 2.781) 21.784 79.047 ( -31.493 -1.600 -0.961) 31.549 ======================= Grid point 229 (85/240) ======================= q-point: ( 0.29 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.572 10.767 -9.244) 14.202 2.715 ( -4.665 2.055 0.014) 5.098 3.089 ( -2.183 1.510 1.546) 3.072 3.713 ( -11.449 -8.787 12.255) 18.934 4.519 ( 24.557 -2.261 -0.218) 24.662 4.653 ( 15.907 0.195 2.693) 16.134 6.435 ( -1.044 -7.025 9.484) 11.849 7.108 ( -7.463 0.337 2.097) 7.759 8.591 ( 7.584 -4.146 1.222) 8.729 9.157 ( -5.316 -0.106 -4.552) 7.000 10.500 ( 4.329 10.232 -6.557) 12.901 10.941 ( 6.467 -1.036 -5.958) 8.854 11.499 ( 9.605 -0.481 3.179) 10.129 12.364 ( 4.075 1.260 -3.867) 5.758 12.914 ( 1.105 3.642 1.482) 4.084 13.295 ( 0.565 -4.740 -19.443) 20.020 14.879 ( 4.319 -2.634 20.102) 20.729 16.517 ( -21.326 -0.616 -4.885) 21.887 30.256 ( 12.259 1.694 1.514) 12.467 30.607 ( 7.007 -3.131 -0.591) 7.697 33.990 ( -2.253 1.332 0.745) 2.721 34.261 ( -5.270 -1.458 -0.805) 5.527 78.216 ( -14.580 9.270 2.576) 17.469 78.465 ( -24.554 1.197 1.271) 24.616 ======================= Grid point 230 (86/240) ======================= q-point: ( 0.36 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -0.895 4.264 -5.071) 6.686 2.595 ( -6.744 -2.064 -1.192) 7.153 3.013 ( -3.818 2.345 4.915) 6.651 3.462 ( -12.217 -7.866 10.822) 18.117 4.937 ( 15.457 -2.943 1.452) 15.802 4.965 ( 13.656 -3.294 1.715) 14.152 6.453 ( 2.891 -7.867 6.898) 10.855 6.960 ( -6.838 -1.501 2.469) 7.424 8.692 ( 2.653 -2.947 -0.029) 3.965 9.010 ( -7.813 -1.606 -3.313) 8.637 10.615 ( 6.706 7.947 -5.942) 11.976 11.032 ( 1.979 -0.044 -8.855) 9.073 11.693 ( 8.483 0.601 8.380) 11.939 12.325 ( -5.890 1.456 0.921) 6.137 13.022 ( 7.567 4.162 -3.804) 9.437 13.314 ( 1.244 -3.622 -15.328) 15.799 15.018 ( 8.961 -0.992 13.463) 16.203 16.112 ( -17.899 0.177 -2.613) 18.090 30.491 ( 10.257 1.280 1.243) 10.411 30.728 ( 4.579 -2.617 -0.123) 5.275 33.959 ( -0.762 0.863 0.896) 1.459 34.156 ( -4.885 -1.409 -0.306) 5.093 77.948 ( -11.119 5.224 2.298) 12.498 78.047 ( -15.949 1.562 2.339) 16.195 ======================= Grid point 231 (87/240) ======================= q-point: ( 0.43 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -1.751 -2.430 -0.124) 2.998 2.455 ( -6.117 -5.235 -0.806) 8.091 2.974 ( 0.465 1.445 5.513) 5.718 3.234 ( -9.518 -5.517 8.708) 14.031 5.155 ( 6.780 -3.822 2.137) 8.072 5.190 ( 7.250 -4.030 2.278) 8.602 6.543 ( 5.343 -7.319 3.973) 9.895 6.828 ( -5.900 -5.025 3.291) 8.420 8.724 ( 1.145 -2.248 -0.990) 2.710 8.865 ( -5.929 -2.652 -2.028) 6.805 10.766 ( 7.625 5.887 -6.070) 11.386 11.020 ( -2.996 1.652 -8.912) 9.547 11.844 ( 6.468 1.861 8.914) 11.169 12.181 ( -7.373 0.541 5.109) 8.986 13.174 ( 6.638 3.426 -7.506) 10.590 13.330 ( -0.165 -2.167 -11.230) 11.438 15.235 ( 11.745 0.694 7.521) 13.963 15.778 ( -14.814 1.082 -0.090) 14.853 30.669 ( 6.894 0.500 0.940) 6.976 30.789 ( 1.135 -1.701 0.306) 2.068 33.960 ( 0.929 0.194 0.834) 1.263 34.064 ( -3.939 -1.079 0.180) 4.088 77.769 ( -6.095 2.840 2.036) 7.026 77.806 ( -7.595 1.142 2.780) 8.169 ======================= Grid point 232 (88/240) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 -5.178 0.261) 5.184 2.382 ( -0.000 -6.877 1.906) 7.136 3.006 ( 0.000 0.374 4.516) 4.531 3.109 ( 0.000 -3.628 8.155) 8.925 5.226 ( 0.000 -3.538 1.934) 4.032 5.262 ( 0.000 -4.667 3.038) 5.569 6.627 ( 0.000 -4.976 0.952) 5.066 6.742 ( 0.000 -8.694 5.450) 10.261 8.750 ( 0.000 -1.892 -2.215) 2.913 8.786 ( 0.000 -3.201 -0.600) 3.257 10.900 ( -0.000 4.030 -7.107) 8.170 10.934 ( 0.000 3.574 -7.510) 8.317 11.941 ( -0.000 3.757 5.730) 6.852 12.071 ( 0.000 -1.210 9.254) 9.332 13.268 ( -0.000 1.437 -9.983) 10.086 13.306 ( 0.000 -0.216 -8.324) 8.327 15.477 ( -0.000 2.110 2.535) 3.298 15.507 ( 0.000 0.796 3.661) 3.746 30.765 ( 0.000 -0.340 0.421) 0.541 30.776 ( 0.000 -0.803 0.866) 1.181 33.995 ( -0.000 -0.450 0.528) 0.694 33.998 ( 0.000 -0.563 0.634) 0.848 77.705 ( 0.000 1.990 1.930) 2.772 77.729 ( 0.000 0.974 2.895) 3.054 ======================= Grid point 240 (89/240) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.000 0.000 1.092) 1.092 2.381 ( 0.000 0.000 -1.577) 1.577 2.716 ( 0.000 0.000 -11.024) 11.024 2.970 ( 0.000 0.000 -19.667) 19.667 4.143 ( 0.000 0.000 18.847) 18.847 4.460 ( 0.000 0.000 7.898) 7.898 6.643 ( 0.000 0.000 14.687) 14.687 7.443 ( 0.000 0.000 1.255) 1.255 7.745 ( 0.000 0.000 0.591) 0.591 8.225 ( 0.000 0.000 -2.575) 2.575 10.661 ( 0.000 0.000 -8.910) 8.910 11.114 ( 0.000 0.000 1.892) 1.892 11.175 ( 0.000 0.000 -10.483) 10.483 11.531 ( 0.000 0.000 -0.868) 0.868 12.891 ( 0.000 0.000 -21.288) 21.288 13.384 ( 0.000 0.000 -1.813) 1.813 14.860 ( 0.000 0.000 30.322) 30.322 17.865 ( 0.000 0.000 -11.884) 11.884 29.560 ( 0.000 0.000 1.964) 1.964 30.105 ( 0.000 0.000 -1.419) 1.419 34.198 ( 0.000 0.000 -0.408) 0.408 34.543 ( 0.000 0.000 -2.237) 2.237 79.559 ( 0.000 0.000 1.522) 1.522 80.205 ( 0.000 0.000 -6.298) 6.298 ======================= Grid point 242 (90/240) ======================= q-point: ( 0.07 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 18.953 0.000 1.399) 19.004 2.594 ( 17.428 0.000 -2.756) 17.645 2.706 ( -0.812 0.000 -10.605) 10.636 2.985 ( 2.947 0.000 -18.043) 18.282 4.106 ( -3.571 0.000 18.661) 18.999 4.440 ( -1.663 0.000 7.568) 7.748 6.610 ( -3.021 0.000 14.358) 14.673 7.421 ( -2.064 0.000 1.315) 2.447 7.837 ( 8.493 0.000 1.132) 8.568 8.423 ( 17.850 0.000 -2.881) 18.081 10.647 ( -1.261 0.000 -9.289) 9.374 10.993 ( -9.709 0.000 -0.242) 9.712 11.195 ( 1.318 0.000 -8.246) 8.351 11.614 ( 7.935 0.000 -1.349) 8.049 12.967 ( 6.387 0.000 -21.427) 22.359 13.337 ( -4.530 0.000 -1.253) 4.700 14.846 ( -1.246 0.000 30.042) 30.068 17.741 ( -11.774 0.000 -11.213) 16.259 29.620 ( 5.704 0.000 1.934) 6.023 30.148 ( 4.047 0.000 -1.348) 4.265 34.179 ( -1.834 0.000 -0.294) 1.858 34.519 ( -2.335 0.000 -2.119) 3.153 79.442 ( -11.045 0.000 1.765) 11.185 80.024 ( -16.966 0.000 -5.259) 17.762 ======================= Grid point 244 (91/240) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 13.898 0.000 -2.416) 14.107 2.723 ( 7.986 0.000 -4.621) 9.226 2.798 ( 0.278 -0.000 -14.314) 14.317 3.299 ( 27.580 0.000 -5.042) 28.037 3.998 ( -6.853 0.000 18.050) 19.307 4.410 ( -0.655 0.000 6.506) 6.539 6.527 ( -4.773 0.000 13.455) 14.276 7.359 ( -3.983 0.000 1.505) 4.258 8.066 ( 12.897 0.000 2.102) 13.067 8.859 ( 21.310 0.000 -3.795) 21.646 10.617 ( -1.367 0.000 -9.937) 10.031 10.797 ( -7.280 0.000 -0.309) 7.286 11.234 ( 2.799 0.000 -6.861) 7.410 11.844 ( 13.936 0.000 -2.639) 14.183 13.104 ( 6.060 0.000 -22.016) 22.835 13.207 ( -7.724 -0.000 0.208) 7.727 14.815 ( -1.482 0.000 28.881) 28.919 17.407 ( -19.797 0.000 -9.482) 21.951 29.786 ( 10.109 0.000 1.840) 10.275 30.263 ( 6.821 0.000 -1.119) 6.912 34.128 ( -2.976 0.000 -0.006) 2.976 34.451 ( -4.142 0.000 -1.800) 4.516 79.133 ( -18.115 0.000 2.262) 18.255 79.558 ( -26.761 0.000 -2.868) 26.914 ======================= Grid point 246 (92/240) ======================= q-point: ( 0.21 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -1.317 0.000 -8.534) 8.635 2.742 ( -4.505 -0.000 -14.954) 15.618 3.045 ( 12.889 0.000 5.416) 13.981 3.789 ( -3.849 -0.000 14.703) 15.198 3.951 ( 23.984 0.000 0.542) 23.990 4.452 ( 5.752 0.000 4.490) 7.297 6.427 ( -4.589 0.000 12.017) 12.864 7.256 ( -6.046 0.000 1.788) 6.305 8.334 ( 12.365 0.000 2.281) 12.574 9.168 ( 6.817 0.000 -4.784) 8.328 10.601 ( 0.014 0.000 -9.904) 9.904 10.764 ( 4.430 0.000 -0.366) 4.445 11.323 ( 6.233 0.000 -3.906) 7.355 12.152 ( 14.818 0.000 -4.122) 15.381 13.041 ( -7.547 0.000 1.923) 7.788 13.199 ( 3.160 -0.000 -22.158) 22.382 14.800 ( 0.463 0.000 26.005) 26.009 16.963 ( -22.579 0.000 -7.250) 23.714 30.021 ( 12.337 0.000 1.680) 12.451 30.416 ( 7.809 0.000 -0.740) 7.844 34.063 ( -3.125 0.000 0.336) 3.143 34.354 ( -5.146 0.000 -1.350) 5.321 78.732 ( -20.031 0.000 2.622) 20.202 78.983 ( -27.839 0.000 -0.471) 27.843 ======================= Grid point 248 (93/240) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -2.307 0.000 -6.764) 7.147 2.627 ( -6.615 -0.000 -12.115) 13.804 3.158 ( -1.184 0.000 8.279) 8.363 3.583 ( -11.536 -0.000 15.824) 19.582 4.501 ( 24.387 0.000 -0.940) 24.405 4.654 ( 12.841 0.000 2.663) 13.114 6.357 ( -1.794 0.000 10.022) 10.181 7.113 ( -7.716 0.000 2.090) 7.994 8.548 ( 8.069 0.000 1.242) 8.164 9.156 ( -6.048 0.000 -4.322) 7.434 10.627 ( 2.625 0.000 -8.789) 9.172 10.910 ( 7.393 0.000 -3.696) 8.265 11.496 ( 10.091 0.000 2.138) 10.315 12.377 ( 4.742 0.000 -3.334) 5.797 12.955 ( 0.966 0.000 1.440) 1.734 13.242 ( 1.416 0.000 -20.497) 20.546 14.853 ( 5.020 0.000 20.691) 21.291 16.509 ( -20.982 0.000 -4.924) 21.552 30.276 ( 12.158 0.000 1.472) 12.247 30.572 ( 7.101 0.000 -0.284) 7.107 34.005 ( -2.392 0.000 0.613) 2.469 34.245 ( -5.325 0.000 -0.840) 5.391 78.337 ( -17.873 0.000 2.695) 18.075 78.453 ( -23.036 0.000 1.145) 23.065 ======================= Grid point 250 (94/240) ======================= q-point: ( 0.36 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -7.778 0.000 -7.198) 10.598 2.513 ( -4.995 -0.000 -3.569) 6.139 3.071 ( -5.195 0.000 8.741) 10.169 3.349 ( -10.710 0.000 12.962) 16.814 4.918 ( 15.864 0.000 0.222) 15.866 4.920 ( 11.877 -0.000 2.409) 12.119 6.366 ( 2.772 0.000 7.565) 8.057 6.945 ( -8.452 0.000 2.381) 8.781 8.662 ( 3.242 0.000 -0.144) 3.245 8.993 ( -8.520 0.000 -3.084) 9.061 10.710 ( 5.341 0.000 -7.411) 9.135 11.019 ( 2.957 0.000 -7.437) 8.004 11.700 ( 9.010 0.000 7.841) 11.944 12.340 ( -6.270 0.000 1.399) 6.424 13.073 ( 8.141 0.000 -2.936) 8.654 13.270 ( 1.453 0.000 -17.024) 17.086 15.009 ( 9.899 0.000 13.873) 17.043 16.114 ( -17.365 0.000 -2.614) 17.561 30.507 ( 9.931 0.000 1.247) 10.009 30.699 ( 4.968 0.000 0.153) 4.970 33.969 ( -1.072 0.000 0.750) 1.308 34.140 ( -4.782 0.000 -0.328) 4.793 78.014 ( -13.164 0.000 2.577) 13.414 78.053 ( -15.665 0.000 1.940) 15.785 ======================= Grid point 252 (95/240) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -5.449 0.000 -1.539) 5.662 2.382 ( -6.792 -0.000 0.653) 6.823 3.004 ( -0.733 0.000 7.172) 7.210 3.158 ( -7.642 0.000 9.417) 12.128 5.117 ( 7.019 0.000 2.618) 7.491 5.149 ( 6.670 0.000 1.399) 6.815 6.463 ( 6.268 0.000 5.211) 8.152 6.772 ( -8.237 0.000 2.781) 8.693 8.703 ( 1.362 0.000 -0.973) 1.674 8.837 ( -6.265 0.000 -2.036) 6.588 10.835 ( 6.394 0.000 -6.968) 9.457 11.031 ( -1.710 0.000 -8.501) 8.671 11.865 ( 7.358 0.000 9.588) 12.086 12.184 ( -8.179 0.000 4.993) 9.582 13.221 ( 5.558 -0.000 -6.212) 8.336 13.298 ( 0.931 0.000 -12.984) 13.018 15.244 ( 12.462 0.000 7.700) 14.649 15.790 ( -14.396 0.000 -0.097) 14.397 30.676 ( 6.360 0.000 1.023) 6.442 30.769 ( 1.720 0.000 0.512) 1.795 33.963 ( 0.540 0.000 0.710) 0.892 34.052 ( -3.676 0.000 0.134) 3.678 77.805 ( -6.985 0.000 2.426) 7.394 77.813 ( -7.731 -0.000 2.226) 8.045 ======================= Grid point 254 (96/240) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.673 -1.402 1.769) 2.356 2.286 ( 0.673 1.402 1.769) 2.356 3.039 ( -2.245 -2.219 7.105) 7.774 3.039 ( 2.245 2.219 7.105) 7.774 5.202 ( -0.520 -0.909 2.305) 2.532 5.202 ( 0.520 0.909 2.305) 2.532 6.608 ( -5.814 -2.093 3.608) 7.156 6.608 ( 5.814 2.093 3.608) 7.156 8.742 ( -2.510 -0.528 -1.415) 2.929 8.742 ( 2.510 0.528 -1.415) 2.929 10.957 ( -4.686 -0.461 -7.681) 9.009 10.957 ( 4.686 0.461 -7.681) 9.009 12.018 ( -5.806 -2.278 7.945) 10.101 12.018 ( 5.806 2.278 7.945) 10.101 13.294 ( -1.082 -0.724 -9.335) 9.425 13.294 ( 1.082 0.724 -9.335) 9.425 15.509 ( -13.108 -0.087 3.137) 13.478 15.509 ( 13.108 0.087 3.137) 13.478 30.764 ( -2.173 -0.068 0.791) 2.314 30.764 ( 2.173 0.068 0.791) 2.314 33.991 ( -2.191 -0.004 0.496) 2.246 33.991 ( 2.191 0.004 0.496) 2.246 77.733 ( -0.005 -0.609 2.323) 2.402 77.733 ( 0.005 0.609 2.323) 2.402 ======================= Grid point 330 (97/240) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 0.000 23.109) 23.109 1.377 ( 0.000 0.000 30.351) 30.351 1.996 ( 0.000 0.000 43.313) 43.313 2.463 ( 0.000 0.000 -5.196) 5.196 3.244 ( 0.000 0.000 -4.306) 4.306 4.568 ( 0.000 0.000 -5.480) 5.480 7.250 ( 0.000 0.000 8.635) 8.635 7.548 ( 0.000 0.000 6.800) 6.800 8.072 ( 0.000 0.000 -5.846) 5.846 8.257 ( 0.000 0.000 -3.210) 3.210 10.063 ( 0.000 0.000 8.674) 8.674 10.585 ( 0.000 0.000 -0.359) 0.359 11.294 ( 0.000 0.000 0.434) 0.434 11.512 ( 0.000 0.000 -2.713) 2.713 12.924 ( 0.000 0.000 0.621) 0.621 13.586 ( 0.000 0.000 -7.222) 7.222 16.676 ( 0.000 0.000 1.511) 1.511 17.401 ( 0.000 0.000 -8.237) 8.237 29.485 ( 0.000 0.000 4.672) 4.672 30.129 ( 0.000 0.000 -4.503) 4.503 33.862 ( 0.000 0.000 6.206) 6.206 34.768 ( 0.000 0.000 -6.659) 6.659 77.901 ( 0.000 0.000 6.222) 6.222 78.936 ( 0.000 0.000 -8.615) 8.615 ======================= Grid point 331 (98/240) ======================= q-point: ( 0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 15.984 0.000 21.203) 26.553 1.473 ( 8.937 0.000 27.110) 28.545 2.171 ( 19.837 0.000 35.880) 40.998 2.726 ( 23.376 0.000 -5.867) 24.101 3.248 ( 0.703 0.000 -2.462) 2.560 4.551 ( -1.464 0.000 -4.860) 5.076 7.236 ( -1.042 0.000 7.112) 7.188 7.240 ( -15.422 0.000 11.341) 19.143 8.392 ( 12.037 0.000 -2.330) 12.260 8.461 ( 22.013 0.000 -13.482) 25.814 10.044 ( -1.422 0.000 7.267) 7.405 10.497 ( -7.209 0.000 0.271) 7.214 11.334 ( 3.791 0.000 0.815) 3.877 11.589 ( 6.481 0.000 -3.937) 7.583 12.901 ( -2.147 0.000 1.067) 2.398 13.620 ( 2.277 0.000 -9.654) 9.919 16.491 ( -15.368 0.000 8.145) 17.393 17.317 ( -8.076 0.000 -8.067) 11.415 29.542 ( 5.419 0.000 4.616) 7.119 30.270 ( 11.411 0.000 -8.937) 14.494 33.863 ( 0.057 0.000 6.104) 6.104 34.702 ( -5.497 0.000 -4.457) 7.077 77.887 ( -1.383 0.000 5.980) 6.138 78.626 ( -24.101 0.000 3.779) 24.395 ======================= Grid point 332 (99/240) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 11.245 0.000 21.347) 24.128 1.717 ( 13.925 0.000 20.671) 24.923 2.765 ( 30.623 0.000 15.289) 34.228 3.295 ( 28.403 0.000 -8.798) 29.734 3.321 ( 9.999 0.000 4.678) 11.039 4.534 ( 1.175 0.000 -1.959) 2.285 7.040 ( -4.801 0.000 9.518) 10.660 7.223 ( 0.029 0.000 4.368) 4.369 8.685 ( 14.572 0.000 -1.147) 14.617 8.799 ( 11.059 0.000 -13.820) 17.700 10.024 ( -0.337 0.000 5.134) 5.145 10.353 ( -5.498 0.000 0.660) 5.538 11.441 ( 6.259 0.000 1.906) 6.543 11.738 ( 7.463 0.000 -5.963) 9.552 12.840 ( -3.604 0.000 2.006) 4.124 13.637 ( -1.086 0.000 -12.454) 12.501 16.147 ( -16.632 0.000 13.295) 21.293 17.080 ( -14.608 0.000 -7.528) 16.434 29.700 ( 9.749 0.000 4.389) 10.691 30.509 ( 10.730 0.000 -11.174) 15.492 33.866 ( 0.317 0.000 5.822) 5.830 34.580 ( -5.868 0.000 -2.551) 6.399 77.848 ( -2.300 0.000 5.411) 5.880 78.163 ( -18.613 0.000 11.512) 21.886 ======================= Grid point 333 (100/240) ======================= q-point: ( 0.21 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 12.552 0.000 14.913) 19.493 2.014 ( 14.380 0.000 14.620) 20.507 3.091 ( 4.296 0.000 -0.637) 4.343 3.726 ( 10.162 0.000 -13.512) 16.907 3.872 ( 38.433 0.000 14.113) 40.942 4.696 ( 16.681 0.000 3.461) 17.036 7.000 ( 0.045 0.000 6.683) 6.684 7.238 ( 1.344 0.000 1.992) 2.404 8.928 ( 8.280 0.000 -0.109) 8.281 8.956 ( 5.196 0.000 -11.616) 12.725 10.031 ( 0.997 0.000 4.335) 4.448 10.303 ( 0.651 0.000 -0.954) 1.155 11.577 ( 6.606 0.000 4.089) 7.769 11.888 ( 7.058 0.000 -6.575) 9.646 12.761 ( -3.822 0.000 2.288) 4.455 13.574 ( -4.792 0.000 -13.812) 14.620 15.833 ( -13.707 0.000 12.299) 18.416 16.735 ( -18.412 0.000 -6.533) 19.537 29.930 ( 12.271 0.000 3.872) 12.868 30.697 ( 7.620 0.000 -9.394) 12.096 33.878 ( 0.875 0.000 5.406) 5.477 34.466 ( -5.201 0.000 -1.994) 5.570 77.796 ( -2.586 0.000 4.847) 5.494 77.874 ( -10.101 0.000 10.213) 14.365 ======================= Grid point 334 (101/240) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 13.174 0.000 8.277) 15.558 2.291 ( 12.235 0.000 9.667) 15.593 3.127 ( 0.454 0.000 -0.297) 0.543 3.743 ( -5.592 0.000 -12.026) 13.263 4.664 ( 36.428 0.000 10.622) 37.945 5.155 ( 24.453 0.000 3.829) 24.751 7.024 ( 2.151 0.000 5.178) 5.607 7.271 ( 1.584 0.000 0.630) 1.704 9.034 ( 2.890 0.000 0.297) 2.906 9.040 ( 3.384 0.000 -11.280) 11.777 10.061 ( 1.867 0.000 4.085) 4.492 10.344 ( 2.146 0.000 -3.824) 4.385 11.700 ( 5.248 0.000 6.762) 8.559 12.023 ( 5.543 0.000 -4.150) 6.924 12.700 ( -1.519 0.000 0.175) 1.529 13.455 ( -6.492 0.000 -14.526) 15.911 15.589 ( -9.819 0.000 9.433) 13.616 16.345 ( -18.983 0.000 -4.987) 19.627 30.191 ( 12.787 0.000 2.992) 13.132 30.824 ( 4.670 0.000 -6.973) 8.392 33.904 ( 1.677 0.000 4.874) 5.155 34.363 ( -4.847 0.000 -1.369) 5.037 77.724 ( -4.924 0.000 7.950) 9.351 77.745 ( -2.393 0.000 4.547) 5.139 ======================= Grid point 335 (102/240) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 12.432 0.000 2.897) 12.765 2.510 ( 8.994 0.000 5.388) 10.485 3.126 ( -0.364 0.000 1.076) 1.136 3.573 ( -9.982 0.000 -8.191) 12.913 5.323 ( 27.010 0.000 7.524) 28.038 5.609 ( 18.541 0.000 3.090) 18.797 7.084 ( 3.638 0.000 4.607) 5.870 7.294 ( 0.527 0.000 0.723) 0.894 9.080 ( 2.019 0.000 -1.442) 2.481 9.102 ( 2.602 0.000 -11.933) 12.213 10.107 ( 2.540 0.000 3.313) 4.175 10.360 ( -0.871 0.000 -5.152) 5.225 11.791 ( 3.700 0.000 8.344) 9.128 12.085 ( 0.001 0.000 1.093) 1.093 12.726 ( 4.312 0.000 -4.969) 6.580 13.317 ( -6.796 0.000 -14.373) 15.899 15.436 ( -4.886 0.000 6.667) 8.266 15.974 ( -16.652 0.000 -2.907) 16.904 30.444 ( 11.522 0.000 1.772) 11.658 30.888 ( 1.530 0.000 -4.835) 5.071 33.947 ( 2.570 0.000 4.192) 4.917 34.266 ( -4.657 0.000 -0.348) 4.670 77.656 ( -1.972 0.000 6.519) 6.811 77.699 ( -1.969 0.000 4.571) 4.977 ======================= Grid point 336 (103/240) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 9.584 0.000 -1.466) 9.695 2.655 ( 4.832 0.000 1.222) 4.984 3.124 ( 0.656 0.000 2.553) 2.636 3.360 ( -10.171 0.000 -3.517) 10.762 5.759 ( 15.134 0.000 5.199) 16.002 5.890 ( 8.388 0.000 2.995) 8.907 7.167 ( 4.139 0.000 4.194) 5.892 7.288 ( -1.223 0.000 1.943) 2.296 9.122 ( 1.951 0.000 -5.137) 5.495 9.144 ( 1.299 0.000 -11.634) 11.707 10.166 ( 3.237 0.000 1.546) 3.587 10.314 ( -3.254 0.000 -3.968) 5.131 11.862 ( 3.500 0.000 8.083) 8.808 12.035 ( -4.104 0.000 4.780) 6.300 12.859 ( 7.796 0.000 -8.995) 11.903 13.175 ( -7.080 0.000 -13.140) 14.926 15.394 ( 0.902 0.000 4.257) 4.351 15.673 ( -12.324 0.000 -0.502) 12.334 30.656 ( 8.944 0.000 0.310) 8.949 30.884 ( -1.961 0.000 -2.982) 3.568 34.009 ( 3.386 0.000 3.304) 4.731 34.172 ( -4.418 0.000 0.915) 4.512 77.635 ( -0.250 0.000 5.726) 5.732 77.664 ( -1.449 0.000 4.831) 5.043 ======================= Grid point 337 (104/240) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -2.171 0.000 -2.440) 3.266 2.689 ( 2.171 0.000 -2.440) 3.266 3.185 ( -4.470 0.000 1.456) 4.701 3.185 ( 4.470 0.000 1.456) 4.701 5.946 ( -3.111 0.000 3.679) 4.818 5.946 ( 3.111 0.000 3.679) 4.818 7.243 ( -2.887 0.000 3.319) 4.399 7.243 ( 2.887 0.000 3.319) 4.399 9.151 ( -0.097 0.000 -9.157) 9.158 9.151 ( 0.097 0.000 -9.157) 9.158 10.239 ( -1.841 0.000 -1.213) 2.205 10.239 ( 1.841 0.000 -1.213) 2.205 11.943 ( -2.142 0.000 6.697) 7.031 11.943 ( 2.142 0.000 6.697) 7.031 13.022 ( -7.193 0.000 -11.303) 13.398 13.022 ( 7.193 0.000 -11.303) 13.398 15.475 ( -6.308 0.000 1.926) 6.596 15.475 ( 6.308 0.000 1.926) 6.596 30.807 ( -5.515 0.000 -1.287) 5.664 30.807 ( 5.515 0.000 -1.287) 5.664 34.085 ( -4.004 0.000 2.189) 4.563 34.085 ( 4.004 0.000 2.189) 4.563 77.641 ( -0.279 0.000 5.220) 5.227 77.641 ( 0.279 0.000 5.220) 5.227 ======================= Grid point 345 (105/240) ======================= q-point: ( 0.00 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 9.455 19.435) 21.612 1.201 ( 0.000 -7.759 28.014) 29.069 2.336 ( 0.000 24.185 35.499) 42.955 2.460 ( 0.000 -0.333 -5.076) 5.087 3.275 ( 0.000 3.408 -3.872) 5.158 4.593 ( 0.000 1.983 -3.745) 4.237 7.151 ( 0.000 -6.774 11.910) 13.702 7.566 ( 0.000 1.693 6.306) 6.529 8.070 ( 0.000 -2.324 -8.034) 8.363 8.250 ( 0.000 -0.644 -3.328) 3.390 10.008 ( 0.000 -1.561 11.341) 11.447 10.701 ( 0.000 7.710 -6.511) 10.091 11.277 ( 0.000 -1.464 0.680) 1.614 11.515 ( 0.000 0.211 -2.602) 2.610 12.922 ( 0.000 0.112 0.217) 0.244 13.525 ( 0.000 -5.843 -8.937) 10.678 16.311 ( 0.000 -23.475 19.387) 30.446 17.585 ( 0.000 8.913 -17.565) 19.698 29.496 ( 0.000 1.036 4.592) 4.707 30.124 ( 0.000 -0.450 -4.359) 4.382 33.942 ( 0.000 6.224 2.690) 6.780 34.716 ( 0.000 -4.284 -4.900) 6.509 77.928 ( 0.000 6.821 8.826) 11.154 79.513 ( 0.000 40.294 -30.231) 50.374 ======================= Grid point 346 (106/240) ======================= q-point: ( 0.07 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 7.417 -3.525 22.329) 23.791 1.487 ( 22.375 5.903 19.154) 30.039 2.443 ( 12.616 19.962 29.494) 37.783 2.723 ( 23.110 -0.005 -4.871) 23.617 3.284 ( 1.299 3.953 -2.175) 4.695 4.566 ( -2.188 1.356 -2.965) 3.927 7.093 ( -4.416 -5.234 11.652) 13.516 7.409 ( -8.342 7.470 5.903) 12.659 8.304 ( 15.153 -6.720 -7.118) 18.040 8.456 ( 17.138 -2.022 -7.318) 18.744 9.977 ( -2.474 -2.510 10.449) 11.027 10.611 ( -7.483 7.637 -5.226) 11.901 11.313 ( 3.256 -1.819 0.944) 3.847 11.592 ( 6.905 0.109 -3.772) 7.869 12.902 ( -1.954 0.398 0.589) 2.079 13.554 ( 1.968 -6.204 -10.652) 12.483 16.217 ( -8.489 -19.094 19.426) 28.532 17.455 ( -11.666 7.689 -14.575) 20.191 29.553 ( 5.424 1.045 4.531) 7.144 30.241 ( 9.905 -2.274 -7.129) 12.414 33.933 ( -0.795 5.601 3.270) 6.535 34.664 ( -4.495 -3.254 -3.682) 6.659 77.908 ( -1.880 6.490 8.562) 10.907 79.164 ( -28.298 38.765 -15.279) 50.368 ======================= Grid point 347 (107/240) ======================= q-point: ( 0.14 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 12.465 -4.031 16.430) 21.014 1.889 ( 15.445 11.603 18.934) 27.049 2.860 ( 22.383 7.199 10.793) 25.871 3.282 ( 26.996 -0.840 -8.097) 28.197 3.390 ( 13.898 6.814 6.489) 16.784 4.532 ( 0.040 -0.202 -0.359) 0.414 7.018 ( -2.391 -1.527 9.962) 10.358 7.291 ( -3.482 5.247 3.611) 7.259 8.629 ( 15.319 -4.857 -4.662) 16.733 8.778 ( 12.433 -2.577 -10.156) 16.259 9.938 ( -0.613 -4.155 8.778) 9.731 10.457 ( -6.034 7.158 -3.661) 10.052 11.407 ( 5.843 -2.671 1.934) 6.710 11.761 ( 8.693 1.470 -6.199) 10.778 12.844 ( -3.470 0.724 1.669) 3.918 13.568 ( -1.135 -6.487 -12.746) 14.346 15.998 ( -12.005 -11.779 17.975) 24.617 17.150 ( -17.213 4.730 -10.585) 20.754 29.711 ( 9.728 1.035 4.313) 10.692 30.463 ( 10.603 -3.806 -9.107) 14.486 33.916 ( -0.724 4.150 4.158) 5.919 34.558 ( -5.304 -1.913 -2.496) 6.167 77.856 ( -3.093 5.639 7.881) 10.172 78.581 ( -25.272 30.731 0.125) 39.788 ======================= Grid point 348 (108/240) ======================= q-point: ( 0.21 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 14.430 -3.143 10.089) 17.885 2.159 ( 11.644 11.044 16.111) 22.740 3.097 ( 3.190 0.128 -2.828) 4.265 3.733 ( 12.087 0.954 -11.487) 16.702 3.938 ( 35.390 5.896 13.058) 38.180 4.660 ( 14.895 -3.367 4.276) 15.859 6.992 ( -0.368 -0.776 7.616) 7.664 7.251 ( -0.756 0.940 1.904) 2.253 8.881 ( 8.508 -3.626 -4.281) 10.191 8.961 ( 5.896 -0.572 -8.530) 10.385 9.962 ( 2.697 -3.744 7.120) 8.484 10.396 ( 0.078 6.734 -3.934) 7.800 11.546 ( 7.400 -2.503 3.891) 8.727 11.927 ( 7.167 3.028 -7.125) 10.550 12.769 ( -3.588 0.980 2.193) 4.318 13.508 ( -4.409 -6.150 -13.877) 15.806 15.751 ( -11.469 -6.946 14.768) 19.947 16.768 ( -19.528 2.482 -7.968) 21.236 29.941 ( 12.220 0.972 3.827) 12.842 30.658 ( 8.128 -3.497 -8.100) 11.996 33.908 ( 0.023 2.606 4.518) 5.216 34.452 ( -5.008 -1.302 -2.033) 5.560 77.787 ( -3.416 4.570 7.039) 9.062 78.163 ( -15.607 20.286 4.344) 25.961 ======================= Grid point 349 (109/240) ======================= q-point: ( 0.29 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 14.366 -2.154 5.246) 15.445 2.376 ( 9.317 7.085 11.280) 16.256 3.117 ( -0.238 -1.131 -2.069) 2.370 3.770 ( -5.246 2.526 -9.826) 11.422 4.678 ( 34.226 1.207 9.826) 35.629 5.094 ( 23.609 -5.760 4.362) 24.690 7.001 ( 1.322 -2.014 5.779) 6.261 7.250 ( 0.428 -2.083 1.159) 2.422 8.986 ( 2.425 -3.120 -3.778) 5.467 9.045 ( 2.826 -1.113 -7.986) 8.544 10.034 ( 4.071 -0.966 5.482) 6.896 10.432 ( 2.340 7.019 -5.587) 9.271 11.695 ( 6.497 -0.607 6.616) 9.292 12.052 ( 4.852 2.628 -5.028) 7.465 12.711 ( -1.523 1.206 0.186) 1.951 13.402 ( -5.462 -4.832 -14.527) 16.255 15.543 ( -8.480 -4.081 11.186) 14.618 16.364 ( -19.364 1.514 -5.730) 20.250 30.200 ( 12.697 0.839 2.999) 13.073 30.795 ( 5.242 -2.554 -6.201) 8.512 33.919 ( 1.057 1.337 4.375) 4.695 34.352 ( -4.794 -1.108 -1.407) 5.117 77.720 ( -3.006 3.472 6.295) 7.792 77.917 ( -8.859 11.757 4.753) 15.470 ======================= Grid point 350 (110/240) ======================= q-point: ( 0.36 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 13.092 -1.340 1.480) 13.243 2.539 ( 6.458 2.539 6.151) 9.273 3.104 ( -0.721 -1.965 0.057) 2.094 3.602 ( -9.989 2.599 -6.133) 12.006 5.296 ( 25.140 -2.601 7.027) 26.232 5.533 ( 17.899 -7.002 3.641) 19.562 7.048 ( 3.229 -3.297 4.697) 6.585 7.258 ( 0.192 -3.413 1.281) 3.650 9.015 ( 0.993 -4.554 -3.952) 6.110 9.089 ( 1.551 -2.517 -8.867) 9.347 10.123 ( 4.423 2.337 3.435) 6.068 10.458 ( -0.164 8.048 -6.043) 10.066 11.798 ( 3.577 0.755 8.235) 9.010 12.113 ( 0.574 2.438 0.092) 2.507 12.731 ( 3.837 0.591 -4.942) 6.284 13.291 ( -5.403 -2.468 -14.370) 15.549 15.413 ( -3.943 -2.030 7.971) 9.121 15.988 ( -16.781 1.217 -3.260) 17.138 30.450 ( 11.380 0.616 1.848) 11.545 30.871 ( 2.020 -1.591 -4.330) 5.036 33.952 ( 2.137 0.389 3.882) 4.449 34.255 ( -4.623 -1.039 -0.402) 4.756 77.668 ( -1.974 2.289 5.729) 6.477 77.779 ( -4.893 6.107 4.707) 9.132 ======================= Grid point 351 (111/240) ======================= q-point: ( 0.43 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 9.542 -0.925 -1.788) 9.752 2.640 ( 3.317 -1.430 1.231) 3.816 3.100 ( 0.807 -1.868 2.406) 3.151 3.388 ( -10.197 2.308 -2.017) 10.648 5.697 ( 13.738 -5.658 5.092) 15.706 5.804 ( 8.160 -7.768 3.514) 11.802 7.126 ( 4.007 -3.970 3.971) 6.898 7.251 ( -1.055 -3.433 2.114) 4.167 9.036 ( 1.031 -6.156 -6.105) 8.731 9.111 ( 0.553 -4.297 -8.596) 9.627 10.213 ( 4.263 5.131 0.353) 6.680 10.426 ( -2.599 8.901 -4.057) 10.122 11.856 ( 2.386 0.118 7.897) 8.250 12.079 ( -3.029 3.561 4.162) 6.259 12.858 ( 7.742 0.065 -9.196) 12.021 13.174 ( -6.107 -0.195 -13.228) 14.571 15.386 ( 1.425 -0.609 5.073) 5.305 15.686 ( -12.378 1.108 -0.465) 12.436 30.659 ( 8.723 0.271 0.464) 8.740 30.876 ( -1.562 -0.767 -2.620) 3.146 34.006 ( 3.099 -0.277 3.096) 4.390 34.162 ( -4.337 -0.934 0.824) 4.512 77.641 ( -0.615 1.193 5.261) 5.430 77.705 ( -2.522 3.144 4.883) 6.331 ======================= Grid point 352 (112/240) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 -2.421 -1.972) 3.122 2.671 ( -0.000 -1.691 -2.711) 3.195 3.136 ( 0.000 -1.970 2.133) 2.903 3.242 ( -0.000 2.705 1.821) 3.260 5.859 ( 0.000 -7.846 3.965) 8.791 5.867 ( 0.000 -7.087 3.945) 8.111 7.187 ( 0.000 -5.093 3.219) 6.025 7.223 ( -0.000 -2.287 3.057) 3.818 9.049 ( 0.000 -6.783 -7.779) 10.321 9.115 ( 0.000 -5.161 -7.802) 9.355 10.273 ( 0.000 6.336 -3.030) 7.023 10.383 ( 0.000 9.102 -0.922) 9.149 11.889 ( 0.000 -0.971 7.090) 7.156 12.035 ( 0.000 4.610 5.630) 7.276 12.996 ( -0.000 -0.829 -11.434) 11.464 13.058 ( 0.000 1.620 -11.593) 11.705 15.451 ( -0.000 -0.571 2.205) 2.278 15.507 ( 0.000 1.557 2.454) 2.907 30.796 ( -0.000 -0.528 -1.082) 1.204 30.814 ( 0.000 0.195 -0.992) 1.011 34.075 ( -0.000 -0.793 2.040) 2.189 34.080 ( 0.000 -0.611 2.055) 2.144 77.638 ( 0.000 0.698 4.934) 4.983 77.677 ( 0.000 2.292 5.140) 5.628 ======================= Grid point 360 (113/240) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 11.037 9.537) 14.586 1.395 ( 0.000 13.102 12.703) 18.249 2.447 ( 0.000 -0.967 -4.716) 4.814 2.803 ( 0.000 16.700 16.750) 23.653 3.426 ( 0.000 12.759 3.232) 13.162 4.646 ( 0.000 3.271 1.613) 3.647 7.041 ( 0.000 -3.493 13.621) 14.062 7.615 ( 0.000 2.898 4.993) 5.773 7.945 ( 0.000 -8.905 -5.592) 10.515 8.230 ( 0.000 -1.257 -3.634) 3.845 10.056 ( 0.000 5.447 5.292) 7.595 10.832 ( 0.000 4.434 -10.925) 11.791 11.240 ( 0.000 -1.945 1.361) 2.374 11.518 ( 0.000 -0.016 -2.342) 2.342 12.933 ( 0.000 0.455 -0.763) 0.889 13.358 ( 0.000 -9.091 -11.533) 14.685 15.897 ( 0.000 -15.547 28.851) 32.773 17.674 ( 0.000 0.225 -19.631) 19.632 29.526 ( 0.000 1.790 4.363) 4.716 30.110 ( 0.000 -0.840 -3.965) 4.053 34.067 ( 0.000 5.031 -0.233) 5.036 34.620 ( 0.000 -4.440 -3.304) 5.535 78.214 ( 0.000 19.540 8.864) 21.457 80.194 ( 0.000 21.559 -37.147) 42.950 ======================= Grid point 361 (114/240) ======================= q-point: ( 0.07 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 6.105 10.081 7.888) 14.182 1.684 ( 23.410 11.502 12.214) 28.802 2.680 ( 19.832 -0.218 -3.768) 20.188 2.856 ( 6.750 12.076 10.898) 17.612 3.454 ( 3.267 13.753 5.537) 15.181 4.608 ( -3.376 2.734 2.184) 4.862 7.015 ( -1.885 -2.614 12.906) 13.302 7.536 ( -6.196 4.649 3.511) 8.505 8.123 ( 15.149 -10.210 -5.013) 18.944 8.402 ( 14.497 -2.205 -4.297) 15.281 10.009 ( -3.928 5.096 4.985) 8.140 10.748 ( -7.225 5.054 -9.443) 12.919 11.265 ( 2.338 -2.705 1.133) 3.751 11.589 ( 6.912 -0.408 -3.262) 7.654 12.926 ( -0.997 1.663 -0.502) 2.003 13.376 ( 1.260 -9.993 -12.151) 15.783 15.859 ( -3.781 -14.290 27.120) 30.887 17.542 ( -12.096 0.794 -17.567) 21.343 29.583 ( 5.440 1.806 4.300) 7.166 30.192 ( 7.328 -2.259 -4.902) 9.101 34.049 ( -1.613 4.842 0.485) 5.127 34.586 ( -3.025 -3.753 -2.979) 5.667 78.182 ( -3.027 18.704 8.526) 20.777 79.866 ( -28.460 24.526 -26.579) 46.021 ======================= Grid point 362 (115/240) ======================= q-point: ( 0.14 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 10.960 6.962 5.033) 13.926 2.151 ( 18.539 13.114 14.246) 26.807 2.966 ( 8.807 1.430 -2.273) 9.208 3.270 ( 28.275 -0.183 -5.391) 28.785 3.620 ( 15.248 14.792 11.758) 24.281 4.533 ( -3.018 0.523 3.836) 4.909 6.981 ( -1.340 -2.225 11.684) 11.969 7.399 ( -6.751 4.383 2.242) 8.356 8.470 ( 16.613 -10.201 -3.923) 19.886 8.729 ( 15.156 -0.975 -6.684) 16.593 9.935 ( -2.154 3.863 4.601) 6.382 10.596 ( -6.022 5.711 -7.227) 11.005 11.341 ( 5.198 -3.716 1.465) 6.556 11.778 ( 10.567 0.082 -5.914) 12.110 12.884 ( -2.994 3.143 0.753) 4.406 13.382 ( -1.047 -10.650 -13.071) 16.892 15.745 ( -7.035 -11.314 23.148) 26.708 17.216 ( -18.619 1.195 -13.593) 23.084 29.742 ( 9.699 1.821 4.100) 10.686 30.376 ( 9.753 -4.137 -5.902) 12.127 34.008 ( -2.096 4.171 1.888) 5.035 34.508 ( -4.310 -2.683 -2.540) 5.677 78.096 ( -5.144 16.355 7.647) 18.773 79.201 ( -32.650 25.133 -10.255) 42.461 ======================= Grid point 363 (116/240) ======================= q-point: ( 0.21 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 13.280 3.457 2.425) 13.935 2.421 ( 8.847 13.365 14.727) 21.767 3.076 ( 1.958 -2.336 -7.313) 7.923 3.773 ( 15.782 2.794 -7.266) 17.597 4.095 ( 28.617 8.490 11.172) 31.872 4.564 ( 9.325 -5.502 6.650) 12.706 6.957 ( -1.047 -2.900 10.099) 10.559 7.272 ( -5.223 1.181 1.768) 5.640 8.753 ( 10.229 -8.678 -3.023) 13.751 8.958 ( 6.458 0.852 -8.350) 10.590 9.950 ( 3.695 3.075 4.250) 6.416 10.539 ( 0.649 6.567 -6.630) 9.354 11.481 ( 8.329 -3.830 3.019) 9.652 11.986 ( 8.816 2.240 -7.645) 11.882 12.814 ( -3.477 3.481 1.823) 5.246 13.334 ( -3.327 -9.975 -13.831) 17.374 15.586 ( -7.911 -8.064 18.729) 21.872 16.808 ( -20.501 0.945 -9.989) 22.825 29.969 ( 12.099 1.755 3.684) 12.769 30.570 ( 8.776 -4.471 -5.586) 11.323 33.970 ( -1.445 3.047 2.911) 4.455 34.415 ( -4.635 -2.105 -2.144) 5.523 77.980 ( -5.970 12.953 6.557) 15.698 78.603 ( -24.834 19.648 -1.035) 31.683 ======================= Grid point 364 (117/240) ======================= q-point: ( 0.29 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 13.667 0.592 0.661) 13.696 2.551 ( 4.150 8.869 10.796) 14.575 3.080 ( -0.913 -2.071 -4.163) 4.739 3.846 ( -5.248 4.595 -4.525) 8.314 4.705 ( 28.679 1.051 7.845) 29.751 4.927 ( 21.905 -9.717 5.439) 24.573 6.940 ( -0.392 -4.157 7.785) 8.834 7.193 ( -2.485 -2.774 2.029) 4.242 8.885 ( 2.971 -6.765 -2.594) 7.831 9.018 ( 0.536 -0.775 -8.501) 8.553 10.065 ( 6.809 4.081 3.288) 8.593 10.594 ( 3.497 7.834 -7.273) 11.248 11.670 ( 9.303 -1.887 5.673) 11.059 12.121 ( 4.331 3.707 -6.355) 8.537 12.756 ( -1.829 3.150 0.177) 3.647 13.265 ( -2.945 -7.954 -14.431) 16.739 15.441 ( -5.685 -5.080 14.536) 16.414 16.392 ( -19.603 0.880 -6.864) 20.788 30.225 ( 12.450 1.545 2.990) 12.897 30.728 ( 6.367 -3.691 -4.454) 8.602 33.953 ( -0.229 1.756 3.282) 3.729 34.319 ( -4.680 -1.905 -1.492) 5.268 77.858 ( -5.642 9.165 5.613) 12.138 78.182 ( -16.259 12.528 2.690) 20.701 ======================= Grid point 365 (118/240) ======================= q-point: ( 0.36 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 12.711 -1.487 -0.566) 12.810 2.600 ( 0.803 2.678 5.043) 5.766 3.060 ( -0.641 -1.630 0.490) 1.819 3.669 ( -10.724 3.372 -1.456) 11.336 5.219 ( 20.628 -4.545 5.776) 21.898 5.341 ( 16.989 -10.647 4.576) 20.565 6.951 ( 1.532 -6.140 5.397) 8.317 7.164 ( -0.570 -5.022 2.427) 5.607 8.903 ( -0.406 -6.183 -3.092) 6.925 9.013 ( -0.778 -3.949 -7.728) 8.713 10.214 ( 7.434 6.055 1.550) 9.712 10.644 ( 0.896 8.893 -6.931) 11.311 11.822 ( 4.910 1.380 7.867) 9.376 12.176 ( 1.067 3.436 -1.980) 4.106 12.757 ( 2.565 2.084 -5.032) 6.020 13.216 ( -2.083 -4.541 -14.320) 15.167 15.365 ( -1.625 -2.279 10.609) 10.972 16.016 ( -16.691 1.210 -3.731) 17.145 30.469 ( 10.975 1.144 2.024) 11.218 30.827 ( 3.157 -2.511 -3.084) 5.077 33.962 ( 1.122 0.552 3.127) 3.367 34.224 ( -4.520 -1.798 -0.530) 4.893 77.754 ( -4.315 5.669 5.010) 8.709 77.921 ( -9.537 6.834 4.011) 12.399 ======================= Grid point 366 (119/240) ======================= q-point: ( 0.43 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 9.142 -2.999 -1.534) 9.742 2.597 ( -0.676 -2.672 0.110) 2.758 3.067 ( 1.602 -0.876 3.930) 4.334 3.439 ( -10.790 2.253 1.174) 11.085 5.540 ( 10.485 -8.893 4.838) 14.575 5.601 ( 8.138 -10.655 4.442) 14.124 6.998 ( 2.594 -8.244 3.642) 9.379 7.157 ( -0.324 -5.228 2.705) 5.895 8.895 ( -0.129 -7.023 -4.504) 8.344 8.991 ( -1.184 -6.269 -6.335) 8.991 10.363 ( 6.816 8.289 -1.170) 10.795 10.625 ( -2.633 9.171 -4.734) 10.651 11.885 ( 1.871 2.633 7.631) 8.286 12.161 ( -2.066 4.001 2.890) 5.350 12.866 ( 7.260 0.818 -9.935) 12.332 13.160 ( -3.762 -1.272 -13.475) 14.048 15.378 ( 2.911 -0.011 6.800) 7.397 15.715 ( -12.374 1.552 -0.274) 12.474 30.667 ( 8.114 0.520 0.852) 8.175 30.854 ( -0.555 -1.303 -1.699) 2.211 33.998 ( 2.365 -0.436 2.564) 3.516 34.135 ( -4.095 -1.582 0.595) 4.431 77.687 ( -2.091 3.065 4.645) 5.945 77.778 ( -4.598 3.541 4.511) 7.351 ======================= Grid point 367 (120/240) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 0.000 -5.163 -1.257) 5.314 2.619 ( 0.000 -3.309 -2.320) 4.042 3.108 ( 0.000 -0.651 3.831) 3.886 3.293 ( 0.000 2.045 3.467) 4.025 5.650 ( 0.000 -11.204 4.610) 12.115 5.681 ( 0.000 -9.944 4.392) 10.871 7.031 ( 0.000 -9.522 2.829) 9.934 7.151 ( 0.000 -4.611 2.980) 5.490 8.895 ( 0.000 -7.470 -5.601) 9.337 8.975 ( 0.000 -7.205 -5.306) 8.948 10.459 ( -0.000 10.286 -4.619) 11.276 10.571 ( 0.000 8.130 -1.338) 8.239 11.907 ( 0.000 2.578 6.925) 7.389 12.130 ( 0.000 4.465 4.640) 6.440 12.986 ( -0.000 -0.184 -12.155) 12.157 13.083 ( 0.000 0.708 -12.227) 12.247 15.456 ( -0.000 1.091 3.090) 3.277 15.539 ( 0.000 1.477 3.358) 3.668 30.786 ( -0.000 -0.411 -0.470) 0.625 30.814 ( 0.000 -0.161 -0.318) 0.356 34.054 ( -0.000 -1.173 1.669) 2.040 34.061 ( 0.000 -1.120 1.698) 2.034 77.667 ( 0.000 2.031 4.420) 4.865 77.729 ( 0.000 2.558 4.750) 5.395 ======================= Grid point 375 (121/240) ======================= q-point: ( 0.00 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 21.303 -7.409) 22.554 1.665 ( 0.000 12.128 7.128) 14.068 2.417 ( 0.000 -1.943 -4.120) 4.555 2.949 ( 0.000 -1.411 -8.059) 8.181 3.823 ( 0.000 22.804 17.003) 28.445 4.722 ( 0.000 3.408 7.627) 8.354 6.996 ( 0.000 -1.006 14.876) 14.910 7.681 ( 0.000 3.202 3.324) 4.616 7.741 ( 0.000 -9.849 -1.122) 9.913 8.200 ( 0.000 -1.636 -3.998) 4.320 10.199 ( 0.000 7.582 -4.495) 8.814 10.881 ( 0.000 0.363 -14.059) 14.064 11.202 ( 0.000 -1.572 2.242) 2.738 11.514 ( 0.000 -0.305 -2.049) 2.072 12.873 ( 0.000 -7.661 -4.938) 9.114 13.236 ( 0.000 -0.617 -8.779) 8.801 15.649 ( 0.000 -8.724 29.384) 30.651 17.633 ( 0.000 -3.243 -19.276) 19.547 29.567 ( 0.000 1.973 4.037) 4.493 30.090 ( 0.000 -1.023 -3.433) 3.582 34.145 ( 0.000 2.600 -0.597) 2.667 34.541 ( 0.000 -3.044 -3.276) 4.472 78.698 ( 0.000 25.729 7.926) 26.922 80.411 ( 0.000 0.504 -26.499) 26.504 ======================= Grid point 376 (122/240) ======================= q-point: ( 0.07 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 3.146 19.440 -6.469) 20.728 1.929 ( 22.286 11.336 6.703) 25.887 2.648 ( 20.047 -2.325 -4.562) 20.691 2.956 ( 1.604 -1.939 -8.428) 8.796 3.847 ( 2.638 21.520 16.553) 27.278 4.674 ( -4.415 3.106 7.869) 9.543 6.974 ( -1.929 -1.356 14.607) 14.796 7.591 ( -5.658 -0.147 1.621) 5.887 7.928 ( 14.245 -6.953 0.743) 15.868 8.370 ( 15.122 -1.095 -4.710) 15.876 10.154 ( -3.923 8.063 -4.665) 10.108 10.815 ( -5.987 1.379 -12.612) 14.028 11.203 ( 0.638 -3.090 1.342) 3.429 11.579 ( 6.550 -0.425 -2.723) 7.106 12.911 ( 2.781 -5.388 -4.718) 7.683 13.219 ( -1.641 -2.357 -8.856) 9.310 15.623 ( -2.546 -8.518 28.120) 29.492 17.515 ( -11.088 -2.676 -17.941) 21.260 29.624 ( 5.486 2.007 3.976) 7.066 30.150 ( 5.522 -1.783 -3.628) 6.843 34.126 ( -1.752 2.641 -0.162) 3.174 34.517 ( -2.256 -2.794 -3.132) 4.766 78.643 ( -5.174 24.418 7.644) 26.104 80.155 ( -23.208 3.964 -21.226) 31.700 ======================= Grid point 377 (123/240) ======================= q-point: ( 0.14 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 6.337 15.498 -5.857) 17.739 2.416 ( 20.914 11.690 8.886) 25.554 2.915 ( 3.892 -5.791 -10.917) 12.956 3.265 ( 28.789 -0.761 -4.295) 29.118 3.958 ( 9.181 16.270 14.709) 23.778 4.557 ( -6.392 1.706 8.545) 10.807 6.926 ( -2.602 -2.789 14.029) 14.538 7.456 ( -7.388 0.758 1.684) 7.615 8.261 ( 16.688 -8.352 1.322) 18.708 8.732 ( 17.476 0.764 -6.759) 18.753 10.072 ( -2.901 8.470 -4.665) 10.096 10.686 ( -4.962 2.709 -9.842) 11.350 11.251 ( 4.270 -4.780 0.339) 6.418 11.773 ( 11.582 -0.398 -5.019) 12.629 12.945 ( -0.146 0.449 -2.673) 2.714 13.173 ( -2.650 -6.927 -10.080) 12.514 15.546 ( -4.830 -7.638 25.029) 26.611 17.207 ( -18.065 -1.705 -14.781) 23.404 29.784 ( 9.724 2.083 3.789) 10.642 30.300 ( 8.546 -3.119 -3.791) 9.856 34.079 ( -2.621 2.603 0.809) 3.781 34.454 ( -3.707 -2.384 -2.791) 5.217 78.495 ( -8.934 20.858 6.893) 23.715 79.560 ( -31.995 9.045 -10.957) 35.008 ======================= Grid point 378 (124/240) ======================= q-point: ( 0.21 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 8.555 10.239 -4.902) 14.215 2.671 ( 4.328 8.227 5.841) 10.978 3.017 ( 5.423 -1.546 -5.057) 7.574 3.834 ( 21.328 2.563 -4.270) 21.901 4.248 ( 18.400 4.190 10.702) 21.695 4.468 ( 1.435 -1.715 9.224) 9.491 6.870 ( -2.755 -5.024 12.845) 14.065 7.297 ( -7.621 0.982 2.080) 7.960 8.563 ( 11.834 -8.293 0.980) 14.483 8.989 ( 6.289 1.750 -8.552) 10.759 10.074 ( 3.380 8.057 -3.756) 9.510 10.655 ( 2.110 4.200 -8.312) 9.548 11.386 ( 9.073 -5.009 1.423) 10.461 12.019 ( 11.302 1.028 -7.176) 13.427 12.904 ( -3.306 4.407 0.237) 5.514 13.119 ( -2.354 -9.639 -12.494) 15.955 15.437 ( -5.314 -5.927 21.265) 22.706 16.805 ( -20.263 -1.042 -11.109) 23.132 30.011 ( 11.993 2.099 3.442) 12.652 30.482 ( 8.854 -3.767 -3.443) 10.220 34.026 ( -2.371 2.230 1.709) 3.676 34.369 ( -4.404 -2.178 -2.286) 5.419 78.291 ( -10.554 15.986 5.914) 20.048 78.921 ( -28.881 10.108 -2.879) 30.734 ======================= Grid point 379 (125/240) ======================= q-point: ( 0.29 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 9.591 4.827 -3.594) 11.323 2.682 ( -1.981 1.396 0.228) 2.434 3.081 ( 0.762 4.151 3.774) 5.662 3.940 ( -7.201 3.638 2.004) 8.313 4.684 ( 23.193 -6.881 5.310) 24.768 4.745 ( 19.972 -3.048 5.856) 21.035 6.819 ( -2.054 -7.115 10.581) 12.915 7.158 ( -5.573 -0.442 2.618) 6.173 8.732 ( 4.594 -7.078 -0.440) 8.450 9.015 ( -2.297 0.265 -8.467) 8.778 10.190 ( 7.265 7.343 -2.448) 10.616 10.737 ( 4.493 5.411 -7.762) 10.475 11.617 ( 12.500 -3.024 4.042) 13.480 12.197 ( 5.428 3.375 -6.658) 9.229 12.837 ( -2.622 4.246 -0.615) 5.028 13.089 ( -0.175 -8.328 -13.854) 16.165 15.347 ( -2.934 -3.683 17.204) 17.837 16.396 ( -19.049 -0.377 -7.491) 20.473 30.262 ( 12.130 1.922 2.900) 12.619 30.651 ( 7.245 -3.497 -2.643) 8.468 33.987 ( -1.340 1.497 2.210) 2.987 34.276 ( -4.593 -2.119 -1.562) 5.294 78.075 ( -10.090 10.928 4.993) 15.689 78.401 ( -21.354 7.813 1.529) 22.790 ======================= Grid point 380 (126/240) ======================= q-point: ( 0.36 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 9.383 -0.171 -2.073) 9.611 2.613 ( -4.332 -2.137 -1.333) 5.011 3.075 ( -0.653 3.746 7.081) 8.037 3.721 ( -12.460 1.054 4.513) 13.294 5.109 ( 16.306 -6.974 3.634) 18.103 5.129 ( 16.663 -7.577 4.997) 18.974 6.794 ( -0.189 -8.374 7.409) 11.183 7.073 ( -2.762 -3.397 3.140) 5.387 8.772 ( 0.017 -5.803 -2.007) 6.140 8.945 ( -3.820 -2.524 -6.979) 8.347 10.356 ( 8.508 7.095 -1.786) 11.221 10.801 ( 1.341 5.718 -6.802) 8.986 11.845 ( 8.453 0.642 7.077) 11.043 12.251 ( 0.543 3.665 -2.853) 4.676 12.816 ( 1.167 3.318 -6.258) 7.179 13.110 ( 1.553 -5.319 -13.915) 14.978 15.327 ( 1.044 -1.212 12.808) 12.907 16.035 ( -15.882 0.623 -3.886) 16.363 30.497 ( 10.394 1.467 2.172) 10.719 30.772 ( 4.349 -2.620 -1.641) 5.336 33.974 ( 0.041 0.568 2.265) 2.335 34.183 ( -4.354 -2.014 -0.648) 4.841 77.887 ( -7.905 6.626 4.354) 11.196 78.045 ( -13.416 4.687 3.435) 14.620 ======================= Grid point 381 (127/240) ======================= q-point: ( 0.43 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.973 -4.640 -0.357) 7.572 2.528 ( -2.897 -3.927 -1.366) 5.068 3.078 ( 1.321 2.020 7.376) 7.761 3.466 ( -11.407 0.032 5.483) 12.656 5.351 ( 7.670 -8.379 4.557) 12.239 5.394 ( 8.520 -8.688 4.260) 12.893 6.807 ( 1.142 -9.065 4.416) 10.148 7.037 ( -1.011 -6.235 3.523) 7.233 8.761 ( -0.515 -5.326 -3.403) 6.341 8.873 ( -2.861 -4.756 -4.997) 7.468 10.529 ( 8.131 7.235 -2.385) 11.142 10.785 ( -2.854 5.949 -5.065) 8.317 11.955 ( 2.856 3.651 7.589) 8.893 12.236 ( -1.657 2.906 2.460) 4.153 12.895 ( 5.830 1.915 -11.585) 13.110 13.121 ( -0.984 -2.333 -13.630) 13.863 15.389 ( 4.824 0.986 8.247) 9.605 15.748 ( -11.953 1.582 -0.052) 12.057 30.680 ( 7.262 0.714 1.293) 7.411 30.824 ( 0.666 -1.478 -0.594) 1.726 33.989 ( 1.459 -0.367 1.918) 2.437 34.100 ( -3.714 -1.716 0.340) 4.105 77.760 ( -4.268 3.637 4.034) 6.907 77.842 ( -6.421 2.490 4.075) 8.002 ======================= Grid point 382 (128/240) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 0.000 -6.249 0.100) 6.250 2.531 ( 0.000 -5.072 -0.754) 5.128 3.112 ( 0.000 1.117 6.456) 6.551 3.319 ( 0.000 0.210 6.363) 6.367 5.430 ( 0.000 -9.108 4.814) 10.302 5.480 ( 0.000 -8.729 4.280) 9.722 6.823 ( 0.000 -9.343 3.082) 9.838 7.027 ( 0.000 -7.346 3.761) 8.253 8.757 ( 0.000 -5.325 -4.321) 6.858 8.840 ( 0.000 -5.527 -3.752) 6.680 10.662 ( -0.000 8.445 -4.990) 9.809 10.708 ( 0.000 4.991 -2.015) 5.383 11.984 ( 0.000 4.420 6.755) 8.073 12.212 ( 0.000 2.911 4.841) 5.648 12.988 ( 0.000 0.402 -13.470) 13.476 13.086 ( 0.000 -0.389 -13.054) 13.060 15.495 ( -0.000 2.473 3.887) 4.607 15.569 ( 0.000 1.402 4.021) 4.259 30.780 ( 0.000 -0.159 0.297) 0.337 30.807 ( 0.000 -0.454 0.454) 0.642 34.029 ( -0.000 -1.119 1.225) 1.659 34.036 ( 0.000 -1.201 1.259) 1.740 77.716 ( 0.000 2.481 3.912) 4.632 77.776 ( 0.000 1.812 4.238) 4.609 ======================= Grid point 390 (129/240) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 8.131 3.521) 8.861 2.056 ( 0.000 21.993 -15.275) 26.777 2.368 ( 0.000 -2.505 -3.367) 4.196 2.807 ( 0.000 -11.313 -16.800) 20.254 4.277 ( 0.000 19.226 18.760) 26.862 4.752 ( 0.000 -1.379 11.866) 11.946 6.993 ( 0.000 0.494 16.992) 16.999 7.559 ( 0.000 -6.968 1.718) 7.176 7.740 ( 0.000 2.250 1.929) 2.964 8.167 ( 0.000 -1.322 -4.271) 4.471 10.349 ( 0.000 6.132 -11.570) 13.095 10.860 ( 0.000 -1.879 -18.633) 18.727 11.177 ( 0.000 -0.816 2.974) 3.084 11.507 ( 0.000 -0.299 -1.826) 1.850 12.680 ( 0.000 -8.464 -7.422) 11.257 13.283 ( 0.000 3.097 -5.257) 6.101 15.520 ( 0.000 -3.887 28.419) 28.683 17.566 ( 0.000 -2.676 -19.124) 19.311 29.603 ( 0.000 1.348 3.725) 3.961 30.071 ( 0.000 -0.759 -2.955) 3.051 34.181 ( 0.000 0.970 -0.331) 1.025 34.494 ( 0.000 -1.477 -3.715) 3.997 79.242 ( 0.000 25.092 5.243) 25.634 80.273 ( 0.000 -12.211 -14.460) 18.926 ======================= Grid point 391 (130/240) ======================= q-point: ( 0.07 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 3.728 17.734 -9.374) 20.402 2.146 ( 17.929 10.334 -1.200) 20.729 2.588 ( 17.323 -3.456 -4.771) 18.297 2.822 ( 3.856 -9.852 -15.073) 18.415 4.268 ( -0.765 17.532 18.166) 25.258 4.705 ( -4.388 -0.911 11.715) 12.543 6.960 ( -3.010 -0.019 16.816) 17.083 7.522 ( -3.252 -4.964 1.867) 6.221 7.865 ( 11.199 -0.041 2.462) 11.467 8.350 ( 16.421 -0.796 -4.913) 17.159 10.317 ( -2.788 6.861 -11.718) 13.862 10.813 ( -4.648 -1.178 -17.039) 17.701 11.144 ( -1.711 -2.303 1.964) 3.477 11.573 ( 6.472 -0.170 -2.631) 6.989 12.743 ( 5.144 -7.893 -8.048) 12.391 13.251 ( -3.048 2.957 -4.411) 6.123 15.495 ( -2.341 -3.887 27.606) 27.976 17.457 ( -10.330 -2.398 -18.043) 20.929 29.661 ( 5.564 1.386 3.663) 6.804 30.119 ( 4.563 -1.094 -2.891) 5.511 34.164 ( -1.635 1.045 -0.103) 1.943 34.472 ( -2.040 -1.434 -3.543) 4.332 79.156 ( -8.110 23.469 5.227) 25.375 80.081 ( -17.782 -9.566 -12.016) 23.497 ======================= Grid point 392 (131/240) ======================= q-point: ( 0.14 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.091 17.734 -12.183) 21.617 2.607 ( 17.370 4.631 0.999) 18.004 2.750 ( 7.000 -8.313 -10.241) 14.933 3.234 ( 30.459 -1.824 -4.381) 30.826 4.254 ( -0.416 11.183 16.632) 20.046 4.588 ( -6.228 0.842 10.941) 12.618 6.878 ( -4.768 -1.581 16.313) 17.069 7.432 ( -5.371 -2.328 2.093) 6.217 8.149 ( 15.024 -2.636 3.456) 15.640 8.746 ( 19.075 0.423 -6.625) 20.197 10.256 ( -2.398 8.196 -11.609) 14.411 10.705 ( -3.987 -0.727 -12.350) 12.998 11.157 ( 3.318 -3.687 -0.654) 5.003 11.766 ( 11.865 -0.208 -4.839) 12.816 12.845 ( 4.054 -6.642 -9.458) 12.247 13.161 ( -5.559 2.654 -2.418) 6.618 15.428 ( -3.956 -3.640 25.452) 26.014 17.165 ( -17.309 -1.837 -15.246) 23.139 29.823 ( 9.833 1.495 3.473) 10.535 30.248 ( 7.616 -1.784 -2.619) 8.249 34.118 ( -2.622 1.178 0.449) 2.909 34.413 ( -3.572 -1.395 -3.075) 4.915 78.925 ( -13.824 19.265 5.110) 24.256 79.600 ( -27.336 -4.231 -6.629) 28.445 ======================= Grid point 393 (132/240) ======================= q-point: ( 0.21 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 3.189 13.644 -10.153) 17.303 2.655 ( -2.206 -8.347 -11.626) 14.481 3.097 ( 14.577 7.051 7.737) 17.946 3.866 ( 27.443 0.367 -3.503) 27.668 4.233 ( -1.817 -2.972 15.688) 16.070 4.525 ( 3.173 4.472 7.821) 9.552 6.773 ( -5.207 -3.730 15.166) 16.463 7.306 ( -6.796 -0.149 2.392) 7.206 8.435 ( 11.862 -3.875 3.108) 12.860 9.020 ( 6.083 1.035 -8.405) 10.427 10.252 ( 2.363 8.012 -10.179) 13.168 10.703 ( 3.770 0.320 -8.864) 9.638 11.290 ( 9.878 -3.707 -0.295) 10.555 12.032 ( 13.046 0.308 -6.961) 14.790 12.899 ( 1.344 -5.244 -11.299) 12.529 13.036 ( -6.058 2.196 -0.669) 6.479 15.345 ( -3.735 -2.837 22.442) 22.927 16.777 ( -19.662 -1.322 -11.596) 22.865 30.051 ( 11.999 1.603 3.153) 12.509 30.418 ( 8.593 -2.290 -2.062) 9.129 34.062 ( -2.686 1.183 1.048) 3.117 34.330 ( -4.409 -1.443 -2.397) 5.222 78.612 ( -16.022 13.961 4.800) 21.787 79.020 ( -27.730 -0.168 -1.555) 27.774 ======================= Grid point 394 (133/240) ======================= q-point: ( 0.29 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 3.865 8.448 -7.248) 11.783 2.597 ( -3.261 -7.833 -9.197) 12.512 3.248 ( 0.945 9.516 11.865) 15.239 3.963 ( -11.028 -1.839 10.154) 15.103 4.530 ( 24.422 -5.000 2.154) 25.021 4.730 ( 14.294 -0.319 4.518) 14.994 6.678 ( -3.660 -5.508 13.053) 14.632 7.161 ( -7.086 0.329 2.749) 7.607 8.615 ( 5.594 -3.813 0.837) 6.821 9.021 ( -4.214 0.270 -8.341) 9.349 10.343 ( 6.155 6.510 -7.451) 11.653 10.808 ( 4.937 1.401 -6.871) 8.576 11.558 ( 15.185 -2.207 2.435) 15.536 12.254 ( 7.403 1.980 -6.462) 10.024 12.899 ( -1.931 -0.673 -9.168) 9.393 12.957 ( 0.222 -1.818 -5.785) 6.068 15.292 ( -0.990 -1.603 18.635) 18.730 16.383 ( -18.183 -0.727 -7.734) 19.772 30.301 ( 11.887 1.574 2.715) 12.294 30.588 ( 7.664 -2.330 -1.298) 8.115 34.013 ( -1.961 0.941 1.464) 2.621 34.237 ( -4.581 -1.504 -1.578) 5.073 78.289 ( -14.949 8.966 4.338) 17.963 78.497 ( -22.543 1.405 1.695) 22.650 ======================= Grid point 395 (134/240) ======================= q-point: ( 0.36 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 3.647 2.450 -3.689) 5.737 2.521 ( -4.064 -5.746 -5.047) 8.660 3.201 ( -3.798 7.257 12.258) 14.743 3.697 ( -13.619 -3.215 10.721) 17.629 4.969 ( 17.280 -4.423 1.933) 17.941 5.025 ( 13.076 -3.698 3.730) 14.091 6.634 ( -0.436 -6.113 9.963) 11.697 7.022 ( -6.291 -1.646 3.175) 7.237 8.678 ( 1.050 -3.029 -1.590) 3.579 8.906 ( -6.098 -1.250 -6.721) 9.161 10.492 ( 7.920 5.429 -4.799) 10.735 10.876 ( 1.563 1.643 -5.676) 6.112 11.849 ( 11.761 -0.132 6.091) 13.246 12.319 ( -0.482 2.580 -1.872) 3.224 12.879 ( 1.074 2.239 -10.654) 10.939 13.013 ( 3.771 -3.453 -11.267) 12.373 15.313 ( 3.054 -0.207 13.967) 14.299 16.043 ( -14.725 0.170 -3.902) 15.234 30.527 ( 9.831 1.280 2.187) 10.152 30.723 ( 5.220 -1.904 -0.477) 5.577 33.985 ( -0.746 0.468 1.586) 1.814 34.146 ( -4.174 -1.446 -0.691) 4.471 78.014 ( -11.452 5.152 3.893) 13.147 78.108 ( -15.126 1.307 3.250) 15.526 ======================= Grid point 396 (135/240) ======================= q-point: ( 0.43 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 1.721 -3.090 0.052) 3.537 2.442 ( -2.982 -3.791 -0.508) 4.850 3.145 ( -0.916 3.992 10.446) 11.220 3.435 ( -11.047 -2.797 9.833) 15.052 5.218 ( 7.204 -4.024 3.699) 9.043 5.248 ( 8.055 -5.104 3.262) 10.078 6.654 ( 1.966 -5.044 6.478) 8.442 6.908 ( -4.518 -5.474 3.988) 8.142 8.683 ( -0.010 -2.168 -3.095) 3.778 8.795 ( -4.279 -2.695 -4.770) 6.952 10.654 ( 7.545 4.509 -3.592) 9.495 10.870 ( -2.158 2.276 -4.671) 5.626 12.023 ( 5.417 2.572 7.700) 9.760 12.275 ( -2.971 0.820 3.177) 4.426 12.942 ( 4.309 2.351 -14.142) 14.969 13.071 ( 1.235 -2.299 -12.995) 13.254 15.412 ( 6.360 1.084 8.922) 11.011 15.777 ( -11.229 1.072 0.003) 11.280 30.696 ( 6.416 0.692 1.594) 6.648 30.796 ( 1.722 -1.158 0.302) 2.097 33.984 ( 0.672 -0.129 1.387) 1.547 34.068 ( -3.293 -1.188 0.169) 3.505 77.829 ( -6.237 2.823 3.648) 7.758 77.877 ( -7.401 0.737 3.742) 8.325 ======================= Grid point 397 (136/240) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.000 -3.491 1.942) 3.994 2.417 ( 0.000 -5.353 1.526) 5.566 3.155 ( 0.000 2.955 9.185) 9.649 3.296 ( 0.000 -2.388 9.343) 9.644 5.291 ( 0.000 -3.977 4.115) 5.723 5.332 ( 0.000 -5.313 3.529) 6.378 6.684 ( 0.000 -3.138 4.313) 5.334 6.854 ( 0.000 -8.592 5.014) 9.948 8.685 ( 0.000 -1.482 -4.023) 4.287 8.745 ( 0.000 -3.611 -3.459) 5.000 10.788 ( -0.000 2.885 -2.911) 4.098 10.793 ( 0.000 3.892 -4.644) 6.059 12.082 ( 0.000 4.821 6.797) 8.333 12.234 ( 0.000 -0.976 5.929) 6.009 13.006 ( 0.000 1.375 -14.520) 14.585 13.070 ( 0.000 -1.165 -13.876) 13.925 15.550 ( -0.000 2.479 4.190) 4.869 15.592 ( 0.000 0.614 4.221) 4.265 30.780 ( 0.000 0.154 0.929) 0.941 30.796 ( 0.000 -0.553 1.029) 1.168 34.010 ( -0.000 -0.637 0.882) 1.088 34.014 ( 0.000 -0.808 0.904) 1.213 77.764 ( 0.000 2.025 3.600) 4.131 77.801 ( 0.000 0.485 3.799) 3.830 ======================= Grid point 405 (137/240) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 0.000 2.154) 2.154 2.335 ( 0.000 0.000 -2.912) 2.912 2.432 ( 0.000 0.000 -15.533) 15.533 2.544 ( 0.000 -0.000 -20.680) 20.680 4.545 ( 0.000 0.000 19.143) 19.143 4.679 ( 0.000 0.000 12.686) 12.686 7.002 ( 0.000 0.000 18.392) 18.392 7.480 ( 0.000 0.000 2.281) 2.281 7.765 ( 0.000 0.000 1.385) 1.385 8.152 ( 0.000 0.000 -4.367) 4.367 10.421 ( 0.000 0.000 -13.530) 13.530 10.833 ( 0.000 0.000 -21.745) 21.745 11.168 ( 0.000 0.000 3.257) 3.257 11.504 ( 0.000 0.000 -1.744) 1.744 12.583 ( 0.000 0.000 -7.018) 7.018 13.320 ( 0.000 0.000 -4.649) 4.649 15.480 ( 0.000 0.000 28.051) 28.051 17.537 ( 0.000 0.000 -19.120) 19.120 29.618 ( 0.000 0.000 3.591) 3.591 30.062 ( 0.000 0.000 -2.757) 2.757 34.190 ( 0.000 0.000 -0.196) 0.196 34.479 ( 0.000 0.000 -3.923) 3.923 79.602 ( 0.000 0.000 2.529) 2.529 80.047 ( 0.000 -0.000 -8.274) 8.274 ======================= Grid point 407 (138/240) ======================= q-point: ( 0.07 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 18.918 0.000 2.137) 19.038 2.436 ( 1.075 0.000 -14.430) 14.470 2.458 ( 3.638 -0.000 -12.830) 13.336 2.659 ( 17.887 -0.000 -10.084) 20.534 4.504 ( -3.988 0.000 18.921) 19.337 4.651 ( -2.543 0.000 12.186) 12.449 6.963 ( -3.629 0.000 18.143) 18.502 7.459 ( -1.959 0.000 2.302) 3.023 7.872 ( 9.749 0.000 2.209) 9.996 8.341 ( 16.971 0.000 -4.931) 17.673 10.399 ( -1.900 0.000 -13.812) 13.942 10.793 ( -4.280 0.000 -19.923) 20.378 11.118 ( -2.898 0.000 2.428) 3.781 11.571 ( 6.510 0.000 -2.750) 7.067 12.652 ( 5.661 0.000 -7.683) 9.543 13.287 ( -3.135 0.000 -3.793) 4.920 15.455 ( -2.325 0.000 27.382) 27.481 17.430 ( -10.080 0.000 -18.096) 20.714 29.677 ( 5.610 0.000 3.526) 6.626 30.107 ( 4.256 0.000 -2.627) 5.001 34.174 ( -1.557 0.000 -0.034) 1.557 34.457 ( -2.022 0.000 -3.730) 4.243 79.491 ( -10.503 0.000 2.848) 10.883 79.892 ( -14.571 -0.000 -6.880) 16.114 ======================= Grid point 409 (139/240) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 0.771 0.000 -12.612) 12.635 2.462 ( -1.267 -0.000 -16.917) 16.965 2.727 ( 24.948 0.000 3.544) 25.198 3.210 ( 31.577 0.000 -4.062) 31.837 4.383 ( -7.676 0.000 18.405) 19.942 4.591 ( -2.654 0.000 10.556) 10.885 6.862 ( -5.932 0.000 17.453) 18.434 7.400 ( -3.794 0.000 2.334) 4.455 8.126 ( 13.858 0.000 3.688) 14.340 8.750 ( 19.694 0.000 -6.524) 20.747 10.358 ( -1.620 0.000 -14.127) 14.219 10.685 ( -4.119 0.000 -13.232) 13.858 11.116 ( 3.032 0.000 -1.208) 3.264 11.764 ( 11.863 0.000 -5.073) 12.902 12.767 ( 4.712 0.000 -9.342) 10.463 13.195 ( -5.650 0.000 -1.765) 5.919 15.391 ( -3.706 0.000 25.540) 25.807 17.144 ( -17.020 0.000 -15.384) 22.942 29.840 ( 9.914 0.000 3.330) 10.458 30.228 ( 7.257 0.000 -2.221) 7.589 34.130 ( -2.550 0.000 0.371) 2.577 34.399 ( -3.595 0.000 -3.199) 4.812 79.194 ( -17.522 0.000 3.504) 17.869 79.487 ( -23.523 -0.000 -3.631) 23.801 ======================= Grid point 411 (140/240) ======================= q-point: ( 0.21 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 0.530 0.000 -11.256) 11.268 2.427 ( -1.998 -0.000 -14.745) 14.879 3.186 ( 17.126 0.000 7.963) 18.887 3.864 ( 29.721 0.000 -2.939) 29.866 4.197 ( -9.313 0.000 17.769) 20.062 4.578 ( 2.546 0.000 7.377) 7.804 6.732 ( -6.402 0.000 16.190) 17.409 7.301 ( -5.775 0.000 2.427) 6.264 8.396 ( 11.465 0.000 3.592) 12.015 9.031 ( 6.049 0.000 -8.321) 10.288 10.352 ( 1.387 0.000 -12.974) 13.048 10.694 ( 4.884 0.000 -8.078) 9.440 11.249 ( 10.299 0.000 -1.339) 10.386 12.035 ( 13.591 0.000 -7.142) 15.353 12.834 ( 1.934 0.000 -11.649) 11.809 13.068 ( -6.228 0.000 0.066) 6.228 15.316 ( -3.184 0.000 22.783) 23.004 16.761 ( -19.392 0.000 -11.737) 22.667 30.070 ( 12.055 0.000 3.007) 12.424 30.393 ( 8.413 0.000 -1.564) 8.557 34.075 ( -2.720 0.000 0.839) 2.846 34.314 ( -4.468 0.000 -2.440) 5.091 78.803 ( -19.767 0.000 3.978) 20.163 78.974 ( -25.240 -0.000 -0.312) 25.242 ======================= Grid point 413 (141/240) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -2.254 0.000 -10.836) 11.068 2.423 ( 0.708 -0.000 -8.326) 8.356 3.372 ( 1.202 0.000 12.050) 12.109 3.918 ( -12.907 0.000 14.972) 19.768 4.484 ( 25.297 0.000 -0.027) 25.297 4.726 ( 11.318 0.000 4.041) 12.018 6.616 ( -4.364 0.000 14.115) 14.774 7.165 ( -7.393 0.000 2.647) 7.853 8.575 ( 5.834 0.000 1.139) 5.944 9.024 ( -4.879 0.000 -8.251) 9.585 10.421 ( 5.247 0.000 -9.710) 11.037 10.815 ( 5.285 0.000 -5.666) 7.748 11.535 ( 16.206 0.000 1.612) 16.286 12.275 ( 8.452 0.000 -6.452) 10.634 12.861 ( 1.135 0.000 -14.390) 14.434 12.968 ( -2.586 0.000 -0.736) 2.689 15.277 ( -0.293 0.000 19.059) 19.061 16.374 ( -17.774 0.000 -7.800) 19.410 30.319 ( 11.827 0.000 2.593) 12.108 30.562 ( 7.746 0.000 -0.774) 7.785 34.024 ( -2.137 0.000 1.193) 2.447 34.220 ( -4.602 0.000 -1.570) 4.862 78.409 ( -17.939 0.000 4.062) 18.393 78.486 ( -21.559 -0.000 1.959) 21.648 ======================= Grid point 415 (142/240) ======================= q-point: ( 0.36 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -1.958 0.000 -5.599) 5.931 2.429 ( -0.407 -0.000 -4.277) 4.296 3.302 ( -5.915 0.000 13.050) 14.328 3.640 ( -13.451 0.000 13.914) 19.353 4.927 ( 17.273 0.000 0.793) 17.292 4.983 ( 12.095 0.000 3.352) 12.551 6.566 ( -0.295 0.000 11.153) 11.157 7.004 ( -8.018 0.000 3.051) 8.579 8.646 ( 1.553 0.000 -1.565) 2.205 8.892 ( -6.923 0.000 -6.654) 9.602 10.555 ( 7.328 0.000 -6.240) 9.625 10.888 ( 1.820 0.000 -4.724) 5.063 11.847 ( 12.899 0.000 5.658) 14.086 12.348 ( -0.990 0.000 -1.079) 1.464 12.899 ( 2.860 0.000 -16.792) 17.034 12.979 ( 2.999 0.000 -6.156) 6.847 15.312 ( 3.778 0.000 14.292) 14.783 16.044 ( -14.166 0.000 -3.910) 14.696 30.542 ( 9.590 0.000 2.140) 9.826 30.701 ( 5.541 0.000 -0.002) 5.541 33.990 ( -1.036 0.000 1.321) 1.679 34.129 ( -4.089 0.000 -0.688) 4.147 78.084 ( -13.362 0.000 3.891) 13.917 78.107 ( -15.063 -0.000 3.078) 15.374 ======================= Grid point 417 (143/240) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.294 0.000 -0.109) 0.314 2.396 ( -2.771 -0.000 0.588) 2.833 3.204 ( -2.378 0.000 11.517) 11.760 3.389 ( -10.456 0.000 11.843) 15.798 5.185 ( 7.079 0.000 3.658) 7.968 5.187 ( 7.996 -0.000 2.199) 8.293 6.603 ( 3.627 0.000 7.891) 8.685 6.844 ( -7.423 0.000 3.825) 8.351 8.663 ( 0.605 0.000 -2.987) 3.047 8.765 ( -5.079 0.000 -4.938) 7.084 10.705 ( 6.883 0.000 -4.313) 8.123 10.891 ( -1.557 0.000 -4.187) 4.467 12.052 ( 7.427 0.000 7.745) 10.731 12.280 ( -4.624 0.000 3.674) 5.906 12.975 ( 3.976 0.000 -16.895) 17.356 13.040 ( 1.877 0.000 -11.033) 11.191 15.425 ( 6.935 0.000 9.074) 11.421 15.789 ( -10.860 0.000 -0.020) 10.860 30.704 ( 6.019 0.000 1.681) 6.250 30.782 ( 2.180 0.000 0.660) 2.278 33.983 ( 0.336 0.000 1.176) 1.224 34.055 ( -3.085 0.000 0.117) 3.087 77.871 ( -7.145 0.000 3.685) 8.039 77.873 ( -7.558 -0.000 3.459) 8.312 ======================= Grid point 419 (144/240) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -1.369 -1.599 2.792) 3.497 2.335 ( 1.369 1.599 2.792) 3.497 3.228 ( -2.547 -3.181 10.502) 11.265 3.228 ( 2.547 3.181 10.502) 11.265 5.263 ( -0.047 -1.123 3.329) 3.514 5.263 ( 0.047 1.123 3.329) 3.514 6.704 ( -3.180 -4.068 5.336) 7.425 6.704 ( 3.180 4.068 5.336) 7.425 8.690 ( -1.333 -1.346 -3.783) 4.230 8.690 ( 1.334 1.346 -3.783) 4.231 10.826 ( -4.581 -0.090 -3.872) 5.999 10.826 ( 4.581 0.090 -3.872) 5.999 12.177 ( -2.924 -3.388 6.647) 8.013 12.177 ( 2.924 3.388 6.647) 8.013 13.040 ( -0.917 -1.426 -14.508) 14.607 13.040 ( 0.917 1.426 -14.508) 14.607 15.588 ( -8.557 -0.247 4.218) 9.543 15.588 ( 8.557 0.247 4.218) 9.543 30.786 ( -1.695 -0.179 1.205) 2.087 30.786 ( 1.695 0.179 1.205) 2.087 34.005 ( -1.761 -0.011 0.761) 1.918 34.005 ( 1.761 0.011 0.761) 1.918 77.796 ( -0.000 -0.926 3.565) 3.683 77.796 ( 0.000 0.926 3.565) 3.683 ======================= Grid point 495 (145/240) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 0.000 19.513) 19.513 1.950 ( 0.000 0.000 25.155) 25.155 2.326 ( 0.000 0.000 -8.231) 8.231 2.722 ( 0.000 0.000 20.561) 20.561 3.212 ( 0.000 0.000 7.374) 7.374 4.403 ( 0.000 0.000 -10.976) 10.976 7.440 ( 0.000 0.000 9.466) 9.466 7.707 ( 0.000 0.000 8.414) 8.414 7.940 ( 0.000 0.000 -6.850) 6.850 8.171 ( 0.000 0.000 -5.193) 5.193 10.246 ( 0.000 0.000 8.658) 8.658 10.567 ( 0.000 0.000 -1.583) 1.583 11.309 ( 0.000 0.000 1.078) 1.078 11.451 ( 0.000 0.000 -3.124) 3.124 12.960 ( 0.000 0.000 3.157) 3.157 13.414 ( 0.000 0.000 -9.195) 9.195 16.730 ( 0.000 0.000 3.957) 3.957 17.212 ( 0.000 0.000 -9.860) 9.860 29.598 ( 0.000 0.000 6.256) 6.256 30.019 ( 0.000 0.000 -6.106) 6.106 34.015 ( 0.000 0.000 8.495) 8.495 34.607 ( 0.000 0.000 -8.896) 8.896 78.057 ( 0.000 0.000 8.897) 8.897 78.732 ( 0.000 0.000 -11.000) 11.000 ======================= Grid point 496 (146/240) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 16.825 0.000 18.691) 25.148 1.993 ( 4.580 0.000 22.934) 23.387 2.576 ( 21.721 0.000 -8.587) 23.357 2.763 ( 4.781 0.000 14.417) 15.189 3.273 ( 6.751 0.000 11.129) 13.016 4.402 ( 0.318 0.000 -9.982) 9.987 7.385 ( -4.168 0.000 6.917) 8.076 7.434 ( -13.932 0.000 7.417) 15.783 8.269 ( 18.864 0.000 -5.884) 19.761 8.331 ( 13.651 0.000 -3.545) 14.104 10.202 ( -3.521 0.000 7.639) 8.412 10.490 ( -6.485 0.000 -1.209) 6.597 11.356 ( 4.335 0.000 1.319) 4.531 11.508 ( 4.892 0.000 -3.769) 6.176 12.945 ( -1.461 0.000 3.458) 3.754 13.418 ( -0.030 0.000 -10.026) 10.026 16.624 ( -9.762 0.000 5.899) 11.405 17.131 ( -7.730 0.000 -9.708) 12.409 29.655 ( 5.343 0.000 6.269) 8.237 30.104 ( 7.702 0.000 -7.645) 10.853 34.012 ( -0.252 0.000 8.272) 8.276 34.571 ( -3.212 0.000 -7.874) 8.504 78.035 ( -2.134 0.000 8.303) 8.573 78.584 ( -12.832 0.000 -6.088) 14.203 ======================= Grid point 497 (147/240) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 10.660 0.000 21.188) 23.719 2.132 ( 8.446 0.000 19.028) 20.818 2.911 ( 7.657 0.000 -1.564) 7.815 3.080 ( 23.664 0.000 -12.050) 26.555 3.564 ( 23.303 0.000 18.423) 29.706 4.455 ( 6.438 0.000 -6.085) 8.859 7.222 ( -6.853 0.000 7.540) 10.189 7.309 ( -2.815 0.000 3.593) 4.564 8.598 ( 12.531 0.000 -5.856) 13.832 8.646 ( 15.158 0.000 -2.593) 15.378 10.137 ( -2.230 0.000 5.519) 5.952 10.352 ( -5.810 0.000 -0.890) 5.877 11.477 ( 7.274 0.000 1.680) 7.465 11.628 ( 6.483 0.000 -4.537) 7.913 12.899 ( -3.099 0.000 3.867) 4.956 13.393 ( -2.732 0.000 -11.366) 11.689 16.364 ( -14.616 0.000 8.718) 17.018 16.905 ( -13.831 0.000 -9.188) 16.605 29.809 ( 9.424 0.000 6.164) 11.261 30.298 ( 10.305 0.000 -9.463) 13.991 34.006 ( -0.220 0.000 7.671) 7.674 34.489 ( -4.375 0.000 -6.007) 7.432 77.976 ( -3.341 0.000 6.902) 7.668 78.286 ( -14.502 0.000 1.153) 14.547 ======================= Grid point 498 (148/240) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.595 0.000 19.727) 20.800 2.319 ( 9.207 0.000 14.357) 17.056 3.030 ( 4.060 0.000 -4.963) 6.412 3.423 ( 8.385 0.000 -15.959) 18.027 4.188 ( 34.606 0.000 15.646) 37.979 4.729 ( 20.309 0.000 -0.511) 20.316 7.136 ( -1.869 0.000 6.138) 6.416 7.274 ( -0.609 0.000 1.240) 1.381 8.784 ( 5.957 0.000 -4.853) 7.684 8.897 ( 8.448 0.000 -2.972) 8.956 10.118 ( 0.317 0.000 3.999) 4.012 10.278 ( -1.321 0.000 -1.501) 1.999 11.644 ( 8.633 0.000 2.488) 8.984 11.775 ( 7.955 0.000 -4.178) 8.985 12.818 ( -4.637 0.000 3.499) 5.809 13.302 ( -5.893 0.000 -12.352) 13.686 16.054 ( -14.881 0.000 9.445) 17.625 16.581 ( -17.076 0.000 -8.155) 18.924 30.028 ( 11.522 0.000 5.661) 12.838 30.504 ( 9.292 0.000 -9.257) 13.116 34.005 ( 0.190 0.000 6.832) 6.835 34.400 ( -4.173 0.000 -4.408) 6.070 77.905 ( -3.407 0.000 5.459) 6.434 78.028 ( -10.235 0.000 4.544) 11.198 ======================= Grid point 499 (149/240) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 6.524 0.000 13.764) 15.232 2.494 ( 7.491 0.000 9.504) 12.101 3.093 ( 2.377 0.000 -2.765) 3.646 3.468 ( -2.187 0.000 -14.463) 14.627 4.895 ( 32.606 0.000 11.161) 34.463 5.214 ( 24.449 0.000 1.541) 24.497 7.132 ( 1.259 0.000 5.001) 5.157 7.279 ( 0.983 0.000 0.055) 0.985 8.864 ( 2.309 0.000 -5.457) 5.925 8.995 ( 1.772 0.000 -4.000) 4.375 10.140 ( 1.548 0.000 3.491) 3.819 10.279 ( 0.736 0.000 -2.372) 2.483 11.815 ( 7.531 0.000 4.241) 8.643 11.951 ( 8.741 0.000 -2.682) 9.143 12.716 ( -4.928 0.000 1.681) 5.206 13.164 ( -7.210 0.000 -13.225) 15.063 15.773 ( -12.044 0.000 8.341) 14.650 16.225 ( -17.017 0.000 -6.474) 18.206 30.269 ( 11.569 0.000 4.598) 12.450 30.671 ( 6.816 0.000 -7.663) 10.256 34.016 ( 0.859 0.000 5.848) 5.910 34.320 ( -3.664 0.000 -2.955) 4.707 77.841 ( -2.756 0.000 4.511) 5.286 77.865 ( -5.768 0.000 5.312) 7.841 ======================= Grid point 500 (150/240) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 6.391 0.000 6.780) 9.317 2.617 ( 4.329 0.000 4.468) 6.221 3.134 ( 1.640 0.000 -0.223) 1.655 3.386 ( -4.986 0.000 -9.589) 10.808 5.486 ( 24.106 0.000 7.737) 25.317 5.666 ( 18.516 0.000 2.105) 18.635 7.181 ( 3.294 0.000 4.514) 5.588 7.306 ( 1.401 0.000 0.302) 1.433 8.896 ( 1.104 0.000 -7.452) 7.533 8.999 ( -0.904 0.000 -6.042) 6.110 10.176 ( 1.871 0.000 3.264) 3.762 10.288 ( -0.051 0.000 -1.859) 1.859 11.941 ( 4.657 0.000 6.064) 7.646 12.101 ( 4.785 0.000 0.329) 4.796 12.642 ( -1.386 0.000 -2.543) 2.897 13.021 ( -6.465 0.000 -13.740) 15.185 15.572 ( -7.236 0.000 6.388) 9.652 15.901 ( -14.171 0.000 -4.154) 14.767 30.493 ( 9.925 0.000 3.009) 10.371 30.779 ( 3.641 0.000 -5.562) 6.648 34.041 ( 1.578 0.000 4.722) 4.978 34.249 ( -3.234 0.000 -1.399) 3.523 77.781 ( -2.637 0.000 5.210) 5.839 77.793 ( -1.918 0.000 4.165) 4.585 ======================= Grid point 501 (151/240) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 5.310 0.000 0.742) 5.361 2.667 ( 0.527 0.000 -0.251) 0.584 3.166 ( 1.694 0.000 1.583) 2.319 3.285 ( -4.452 0.000 -3.481) 5.652 5.870 ( 13.079 0.000 5.224) 14.083 5.951 ( 8.848 0.000 2.616) 9.227 7.255 ( 3.540 0.000 4.116) 5.429 7.327 ( 0.342 0.000 1.664) 1.699 8.918 ( 1.125 0.000 -9.379) 9.446 8.973 ( -1.437 0.000 -8.483) 8.604 10.214 ( 1.831 0.000 2.775) 3.324 10.276 ( -0.998 0.000 -0.114) 1.005 12.014 ( 2.784 0.000 6.517) 7.086 12.127 ( -1.713 0.000 3.949) 4.304 12.678 ( 4.352 0.000 -7.812) 8.943 12.899 ( -5.515 0.000 -12.992) 14.114 15.481 ( -1.517 0.000 4.049) 4.324 15.654 ( -9.634 0.000 -1.416) 9.738 30.670 ( 7.114 0.000 1.049) 7.191 30.818 ( 0.058 0.000 -3.338) 3.338 34.080 ( 2.173 0.000 3.414) 4.047 34.186 ( -2.908 0.000 0.264) 2.920 77.748 ( -0.736 0.000 4.903) 4.958 77.762 ( -1.154 0.000 4.254) 4.408 ======================= Grid point 502 (152/240) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -2.949 0.000 -2.139) 3.644 2.640 ( 2.949 0.000 -2.139) 3.644 3.211 ( -1.607 0.000 0.950) 1.867 3.211 ( 1.607 0.000 0.950) 1.867 6.023 ( -1.902 0.000 3.559) 4.035 6.023 ( 1.902 0.000 3.559) 4.035 7.313 ( -1.728 0.000 3.177) 3.616 7.313 ( 1.728 0.000 3.177) 3.616 8.943 ( -0.639 0.000 -9.874) 9.895 8.943 ( 0.639 0.000 -9.874) 9.895 10.250 ( -0.359 0.000 1.667) 1.706 10.250 ( 0.359 0.000 1.667) 1.706 12.071 ( -1.560 0.000 5.644) 5.855 12.071 ( 1.560 0.000 5.644) 5.855 12.786 ( -5.173 0.000 -10.953) 12.113 12.786 ( 5.173 0.000 -10.953) 12.113 15.510 ( -3.668 0.000 1.409) 3.929 15.510 ( 3.668 0.000 1.409) 3.929 30.781 ( -3.562 0.000 -1.108) 3.730 30.781 ( 3.562 0.000 -1.108) 3.730 34.129 ( -2.587 0.000 1.910) 3.216 34.129 ( 2.587 0.000 1.910) 3.216 77.746 ( -0.080 0.000 4.554) 4.555 77.746 ( 0.080 0.000 4.554) 4.555 ======================= Grid point 510 (153/240) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 4.789 17.651) 18.289 1.766 ( 0.000 -12.826 26.163) 29.138 2.326 ( 0.000 0.028 -7.967) 7.967 2.820 ( 0.000 3.676 3.587) 5.136 3.342 ( 0.000 13.952 17.764) 22.588 4.471 ( 0.000 6.154 -8.494) 10.489 7.384 ( 0.000 -4.311 10.679) 11.517 7.714 ( 0.000 0.690 7.890) 7.920 7.912 ( 0.000 -2.970 -7.537) 8.101 8.163 ( 0.000 -0.812 -5.236) 5.298 10.226 ( 0.000 -1.653 9.666) 9.806 10.602 ( 0.000 2.768 -3.876) 4.763 11.298 ( 0.000 -0.899 1.418) 1.679 11.455 ( 0.000 0.334 -3.127) 3.145 12.941 ( 0.000 -1.348 1.964) 2.382 13.334 ( 0.000 -7.303 -9.447) 11.940 16.594 ( 0.000 -10.599 10.351) 14.815 17.265 ( 0.000 2.999 -13.936) 14.255 29.607 ( 0.000 0.837 6.132) 6.189 30.017 ( 0.000 -0.134 -5.927) 5.929 34.046 ( 0.000 2.706 6.902) 7.414 34.579 ( 0.000 -2.430 -8.026) 8.386 78.134 ( 0.000 8.817 11.210) 14.262 79.033 ( 0.000 24.259 -18.968) 30.794 ======================= Grid point 511 (154/240) ======================= q-point: ( 0.07 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 8.630 -3.324 20.187) 22.205 1.898 ( 15.428 -3.295 20.431) 25.813 2.565 ( 20.791 -0.563 -8.263) 22.380 2.837 ( 2.322 2.547 0.849) 3.550 3.405 ( 6.843 13.455 18.731) 24.056 4.463 ( -0.398 5.534 -7.517) 9.343 7.313 ( -5.408 -3.450 9.461) 11.431 7.517 ( -10.210 4.401 3.994) 11.814 8.178 ( 16.930 -6.210 -3.930) 18.457 8.342 ( 14.509 -0.733 -5.015) 15.369 10.176 ( -4.045 -2.112 8.830) 9.939 10.527 ( -6.379 2.895 -3.533) 7.845 11.341 ( 3.882 -1.280 1.751) 4.446 11.513 ( 5.143 0.314 -3.789) 6.396 12.930 ( -1.196 -1.071 2.330) 2.830 13.342 ( 0.309 -6.960 -10.057) 12.234 16.510 ( -7.918 -9.186 10.829) 16.259 17.171 ( -8.777 2.379 -12.958) 15.831 29.663 ( 5.338 0.834 6.132) 8.173 30.097 ( 7.199 -0.679 -7.091) 10.128 34.041 ( -0.502 2.489 6.834) 7.291 34.547 ( -2.903 -2.119 -7.223) 8.068 78.106 ( -2.679 8.357 10.592) 13.755 78.872 ( -14.167 23.261 -13.557) 30.423 ======================= Grid point 512 (155/240) ======================= q-point: ( 0.14 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 7.464 -9.582 20.209) 23.578 2.265 ( 15.415 8.123 17.163) 24.458 2.884 ( 5.861 -3.125 -7.304) 9.872 3.101 ( 24.072 1.945 -9.306) 25.882 3.676 ( 20.698 10.275 19.066) 29.958 4.490 ( 4.468 3.202 -4.152) 6.889 7.209 ( -4.245 -0.552 8.059) 9.125 7.357 ( -5.448 3.611 2.428) 6.973 8.519 ( 14.825 -5.493 -4.033) 16.316 8.647 ( 13.622 -1.359 -4.613) 14.446 10.101 ( -2.441 -2.853 7.045) 7.983 10.392 ( -5.599 3.123 -3.050) 7.099 11.451 ( 6.761 -2.185 2.280) 7.462 11.644 ( 7.250 1.139 -4.951) 8.853 12.890 ( -2.716 -0.469 2.944) 4.033 13.325 ( -2.337 -6.256 -10.973) 12.845 16.290 ( -12.799 -6.317 11.373) 18.250 16.924 ( -14.668 1.207 -11.066) 18.413 29.818 ( 9.413 0.821 6.012) 11.200 30.282 ( 10.044 -1.447 -8.545) 13.266 34.028 ( -0.620 1.918 6.587) 6.889 34.472 ( -4.097 -1.563 -5.684) 7.179 78.032 ( -4.291 7.102 9.095) 12.312 78.532 ( -17.065 19.851 -4.679) 26.593 ======================= Grid point 513 (156/240) ======================= q-point: ( 0.21 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 8.903 -8.833 15.940) 20.282 2.489 ( 7.352 10.297 14.840) 19.502 2.985 ( 3.990 -3.544 -7.164) 8.934 3.481 ( 10.391 5.078 -12.860) 17.295 4.235 ( 31.663 4.257 14.761) 35.193 4.714 ( 17.997 -1.419 0.622) 18.064 7.142 ( -2.290 0.509 6.497) 6.907 7.284 ( -1.887 0.789 1.154) 2.348 8.747 ( 7.281 -3.006 -4.873) 9.262 8.870 ( 7.646 -2.464 -3.941) 8.948 10.089 ( 1.203 -2.288 5.421) 6.006 10.325 ( -0.785 3.842 -3.059) 4.973 11.616 ( 9.119 -2.401 2.910) 9.869 11.801 ( 7.886 2.043 -4.906) 9.509 12.818 ( -4.251 0.193 2.765) 5.075 13.243 ( -5.386 -5.440 -11.692) 13.975 16.011 ( -13.613 -3.770 10.844) 17.808 16.590 ( -17.335 0.543 -9.112) 19.591 30.037 ( 11.511 0.802 5.524) 12.793 30.486 ( 9.402 -1.589 -8.399) 12.707 34.019 ( -0.241 1.174 6.104) 6.221 34.387 ( -4.051 -1.205 -4.263) 6.003 77.939 ( -4.532 5.387 7.450) 10.250 78.217 ( -13.112 14.716 0.583) 19.719 ======================= Grid point 514 (157/240) ======================= q-point: ( 0.29 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 9.346 -6.443 10.685) 15.589 2.599 ( 3.599 6.497 8.902) 11.593 3.053 ( 2.794 -2.414 -2.976) 4.742 3.549 ( -1.948 6.874 -11.475) 13.518 4.893 ( 30.641 -0.288 10.397) 32.358 5.166 ( 23.431 -4.521 2.301) 23.974 7.118 ( 0.103 -1.106 5.311) 5.425 7.268 ( 0.094 -1.220 0.437) 1.299 8.839 ( 2.342 -2.052 -5.689) 6.485 8.960 ( 1.538 -3.230 -4.555) 5.792 10.136 ( 2.919 -0.102 4.467) 5.337 10.341 ( 1.707 5.306 -3.275) 6.465 11.808 ( 8.809 -0.903 4.297) 9.843 11.963 ( 7.680 1.268 -3.393) 8.492 12.722 ( -4.740 0.685 1.076) 4.909 13.118 ( -6.316 -4.168 -12.652) 14.742 15.753 ( -11.092 -1.802 9.243) 14.550 16.232 ( -16.943 0.547 -6.900) 18.302 30.277 ( 11.548 0.773 4.515) 12.423 30.658 ( 7.104 -1.213 -7.007) 10.051 34.021 ( 0.477 0.433 5.380) 5.418 34.308 ( -3.647 -1.093 -2.895) 4.783 77.852 ( -3.786 3.618 6.201) 8.117 77.998 ( -8.281 9.462 2.677) 12.856 ======================= Grid point 515 (158/240) ======================= q-point: ( 0.36 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 8.520 -3.680 5.229) 10.652 2.644 ( 1.013 1.385 3.117) 3.558 3.105 ( 2.335 -1.274 0.778) 2.772 3.460 ( -5.792 6.088 -7.529) 11.283 5.448 ( 22.616 -3.493 7.314) 24.025 5.602 ( 17.862 -5.929 2.716) 19.015 7.147 ( 2.519 -3.085 4.614) 6.095 7.279 ( 0.754 -2.624 0.560) 2.787 8.866 ( 0.638 -2.590 -6.915) 7.412 8.960 ( -0.968 -3.491 -6.234) 7.210 10.198 ( 2.913 2.410 3.826) 5.379 10.373 ( 1.104 7.081 -2.492) 7.588 11.948 ( 4.532 0.620 6.096) 7.622 12.104 ( 5.235 0.333 -0.724) 5.296 12.647 ( -1.700 0.527 -2.746) 3.272 12.997 ( -5.331 -2.210 -13.552) 14.730 15.569 ( -6.579 -0.277 7.071) 9.662 15.911 ( -13.967 0.893 -4.234) 14.622 30.500 ( 9.870 0.700 3.012) 10.343 30.772 ( 3.954 -0.646 -5.089) 6.477 34.039 ( 1.279 -0.199 4.420) 4.606 34.237 ( -3.243 -1.097 -1.399) 3.698 77.787 ( -2.493 2.075 5.449) 6.342 77.867 ( -4.636 5.247 3.434) 7.798 ======================= Grid point 516 (159/240) ======================= q-point: ( 0.43 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 6.026 -1.562 0.276) 6.231 2.648 ( -0.512 -1.959 -0.650) 2.126 3.151 ( 2.147 -0.556 2.602) 3.419 3.337 ( -5.568 4.192 -2.825) 7.520 5.807 ( 12.091 -5.783 5.195) 14.374 5.876 ( 8.484 -6.804 3.139) 11.319 7.210 ( 3.262 -4.285 3.965) 6.687 7.290 ( 0.057 -3.401 1.517) 3.724 8.875 ( 0.360 -3.631 -7.824) 8.633 8.936 ( -1.088 -3.399 -8.372) 9.101 10.250 ( 1.992 4.394 2.982) 5.672 10.385 ( 0.117 8.317 -0.670) 8.344 12.010 ( 2.021 0.097 6.797) 7.092 12.147 ( -0.778 1.584 2.500) 3.060 12.676 ( 4.190 -0.106 -7.795) 8.850 12.895 ( -4.790 -0.438 -13.182) 14.033 15.487 ( -1.309 0.629 4.603) 4.827 15.669 ( -9.354 1.346 -1.255) 9.533 30.675 ( 6.988 0.531 1.157) 7.103 30.817 ( 0.334 -0.091 -3.009) 3.029 34.073 ( 1.970 -0.671 3.219) 3.833 34.174 ( -2.878 -1.083 0.206) 3.082 77.751 ( -1.028 0.926 4.979) 5.168 77.798 ( -2.206 2.683 3.838) 5.177 ======================= Grid point 517 (160/240) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.000 -1.714 -2.167) 2.763 2.625 ( -0.000 -1.893 -1.890) 2.675 3.185 ( 0.000 -0.427 2.393) 2.431 3.264 ( -0.000 3.123 0.323) 3.139 5.944 ( -0.000 -7.172 3.940) 8.183 5.950 ( 0.000 -6.646 3.803) 7.657 7.257 ( 0.000 -5.229 3.288) 6.177 7.281 ( -0.000 -3.030 2.452) 3.898 8.880 ( 0.000 -4.368 -7.890) 9.018 8.923 ( 0.000 -3.074 -9.611) 10.091 10.272 ( 0.000 5.225 2.343) 5.726 10.384 ( 0.000 8.657 0.517) 8.672 12.036 ( 0.000 -0.684 6.859) 6.893 12.124 ( 0.000 2.548 3.315) 4.181 12.765 ( -0.000 -0.823 -10.358) 10.390 12.808 ( 0.000 0.834 -11.910) 11.939 15.499 ( -0.000 0.351 2.291) 2.317 15.547 ( 0.000 2.118 1.285) 2.478 30.776 ( -0.000 -0.023 -0.739) 0.739 30.792 ( 0.000 0.605 -1.051) 1.212 34.117 ( -0.000 -1.037 1.832) 2.105 34.121 ( 0.000 -0.883 1.748) 1.959 77.741 ( 0.000 0.474 4.745) 4.768 77.775 ( 0.000 1.857 4.055) 4.461 ======================= Grid point 525 (161/240) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.000 -5.016 20.460) 21.066 1.667 ( 0.000 7.465 13.287) 15.241 2.325 ( 0.000 -0.263 -7.201) 7.205 2.801 ( 0.000 -4.450 -12.226) 13.011 3.753 ( 0.000 23.111 23.299) 32.817 4.640 ( 0.000 9.482 -2.844) 9.899 7.305 ( 0.000 -2.739 11.642) 11.960 7.734 ( 0.000 1.231 6.489) 6.605 7.819 ( 0.000 -5.492 -6.524) 8.528 8.138 ( 0.000 -1.488 -5.305) 5.510 10.184 ( 0.000 -2.311 7.049) 7.418 10.648 ( 0.000 0.795 -7.601) 7.642 11.277 ( 0.000 -1.069 2.220) 2.464 11.461 ( 0.000 0.209 -3.067) 3.075 12.917 ( 0.000 -1.597 -0.547) 1.688 13.148 ( 0.000 -8.680 -8.860) 12.404 16.360 ( 0.000 -10.979 17.494) 20.654 17.286 ( 0.000 -1.183 -17.643) 17.683 29.632 ( 0.000 1.430 5.783) 5.957 30.013 ( 0.000 -0.289 -5.433) 5.441 34.109 ( 0.000 2.961 4.106) 5.062 34.516 ( 0.000 -3.295 -6.409) 7.206 78.438 ( 0.000 19.442 12.744) 23.247 79.556 ( 0.000 22.671 -25.795) 34.342 ======================= Grid point 526 (162/240) ======================= q-point: ( 0.07 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 3.190 -3.431 18.067) 18.665 1.951 ( 22.945 5.993 13.340) 27.209 2.552 ( 19.160 -0.906 -8.134) 20.835 2.813 ( 2.407 -4.085 -11.479) 12.420 3.791 ( 4.105 21.561 22.206) 31.223 4.616 ( -2.029 8.641 -2.059) 9.111 7.262 ( -3.107 -1.457 10.687) 11.224 7.589 ( -8.035 2.306 0.947) 8.413 8.050 ( 15.992 -5.656 -1.345) 17.016 8.303 ( 13.572 -2.373 -5.344) 14.778 10.128 ( -4.647 -2.317 6.548) 8.357 10.578 ( -6.022 1.213 -7.433) 9.643 11.306 ( 2.696 -2.090 2.641) 4.313 11.517 ( 5.259 0.054 -3.643) 6.398 12.916 ( -0.297 -0.530 -0.245) 0.655 13.160 ( 0.778 -8.954 -8.973) 12.700 16.300 ( -5.738 -10.102 16.896) 20.505 17.187 ( -9.215 -1.077 -16.452) 18.888 29.688 ( 5.335 1.433 5.754) 7.976 30.080 ( 6.175 -0.882 -5.965) 8.631 34.099 ( -0.931 2.776 4.225) 5.140 34.491 ( -2.306 -2.977 -5.960) 7.050 78.395 ( -3.984 18.593 12.050) 22.512 79.381 ( -15.751 22.559 -20.757) 34.466 ======================= Grid point 527 (163/240) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 7.280 -3.680 14.808) 16.906 2.438 ( 19.849 8.092 12.819) 24.976 2.785 ( 4.952 -5.950 -12.774) 14.936 3.142 ( 26.417 1.506 -7.396) 27.474 3.958 ( 13.236 15.761 18.463) 27.649 4.582 ( -0.234 5.401 0.271) 5.413 7.202 ( -2.689 -0.384 9.259) 9.649 7.432 ( -7.142 3.211 0.735) 7.865 8.400 ( 16.379 -5.696 -2.051) 17.462 8.603 ( 13.792 -1.974 -5.835) 15.105 10.040 ( -2.751 -2.574 5.671) 6.808 10.452 ( -4.897 2.042 -6.827) 8.647 11.391 ( 5.773 -3.645 3.248) 7.561 11.662 ( 8.440 0.529 -5.227) 9.941 12.895 ( -1.863 0.985 0.522) 2.171 13.157 ( -1.502 -8.834 -9.087) 12.762 16.135 ( -9.910 -7.884 15.395) 19.934 16.930 ( -15.125 -0.919 -13.776) 20.479 29.842 ( 9.402 1.438 5.595) 11.035 30.246 ( 9.386 -1.853 -6.663) 11.658 34.074 ( -1.369 2.243 4.451) 5.169 34.429 ( -3.530 -2.379 -4.987) 6.557 78.283 ( -6.644 16.192 10.306) 20.311 78.981 ( -21.424 20.718 -11.075) 31.794 ======================= Grid point 528 (164/240) ======================= q-point: ( 0.21 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 9.881 -3.944 10.712) 15.097 2.648 ( 2.892 2.204 1.636) 3.987 2.949 ( 8.866 2.812 0.719) 9.329 3.607 ( 15.094 6.291 -9.110) 18.718 4.351 ( 24.026 6.396 12.678) 27.908 4.675 ( 11.185 -2.162 3.613) 11.952 7.146 ( -2.843 -0.559 7.779) 8.301 7.304 ( -5.063 1.198 1.091) 5.316 8.671 ( 9.332 -4.406 -3.686) 10.958 8.817 ( 6.482 -1.754 -5.948) 8.970 10.043 ( 3.047 -1.755 4.964) 6.083 10.410 ( 0.944 3.746 -6.044) 7.173 11.548 ( 9.465 -4.199 3.599) 10.963 11.845 ( 8.827 1.910 -5.980) 10.831 12.838 ( -3.677 1.786 0.712) 4.150 13.095 ( -4.192 -7.997 -9.424) 13.051 15.914 ( -11.001 -5.185 13.426) 18.116 16.591 ( -17.265 -0.622 -10.777) 20.362 30.061 ( 11.486 1.431 5.137) 12.664 30.445 ( 9.542 -2.194 -6.477) 11.739 34.048 ( -1.131 1.450 4.519) 4.879 34.353 ( -3.796 -1.977 -3.906) 5.794 78.135 ( -7.462 12.682 8.248) 16.869 78.556 ( -18.973 16.290 -3.583) 25.262 ======================= Grid point 529 (165/240) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 10.898 -3.922 6.644) 13.353 2.662 ( -0.757 -1.775 -2.709) 3.326 3.079 ( 3.988 6.282 6.667) 9.990 3.723 ( -1.934 9.290 -7.624) 12.173 4.879 ( 25.562 -1.235 8.445) 26.949 5.032 ( 20.889 -8.050 4.243) 22.785 7.088 ( -2.446 -2.071 6.255) 7.028 7.230 ( -2.202 -2.015 1.341) 3.272 8.786 ( 2.396 -3.288 -5.258) 6.648 8.882 ( 0.619 -3.385 -5.652) 6.617 10.144 ( 6.077 0.980 4.535) 7.646 10.469 ( 3.951 6.309 -5.170) 9.063 11.768 ( 11.251 -2.974 3.992) 12.303 12.007 ( 6.594 2.791 -4.537) 8.476 12.750 ( -4.638 1.951 -0.581) 5.065 13.003 ( -4.243 -6.374 -10.772) 13.216 15.705 ( -8.839 -2.565 11.126) 14.439 16.240 ( -16.389 0.075 -7.667) 18.094 30.300 ( 11.478 1.379 4.265) 12.322 30.625 ( 7.721 -1.817 -5.416) 9.605 34.031 ( -0.390 0.537 4.265) 4.316 34.276 ( -3.616 -1.855 -2.724) 4.892 77.987 ( -6.731 8.743 6.526) 12.819 78.218 ( -13.752 10.814 0.509) 17.502 ======================= Grid point 530 (166/240) ======================= q-point: ( 0.36 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 10.311 -3.487 2.908) 11.266 2.630 ( -2.180 -3.143 -2.498) 4.569 3.134 ( 1.841 4.538 6.879) 8.444 3.609 ( -7.848 7.720 -4.557) 11.915 5.347 ( 19.099 -6.048 6.173) 20.963 5.434 ( 16.801 -9.646 4.031) 19.788 7.061 ( -0.078 -5.047 5.078) 7.160 7.204 ( -0.573 -4.166 1.159) 4.362 8.798 ( -0.563 -3.886 -5.603) 6.842 8.871 ( -1.155 -4.371 -6.311) 7.763 10.272 ( 6.068 4.347 4.079) 8.506 10.542 ( 2.684 8.339 -3.577) 9.463 11.962 ( 6.362 0.473 5.601) 8.490 12.121 ( 4.906 1.594 -2.628) 5.789 12.667 ( -2.607 1.371 -3.498) 4.573 12.933 ( -2.727 -3.786 -12.776) 13.602 15.563 ( -4.824 -0.241 8.541) 9.812 15.933 ( -13.255 1.047 -4.322) 13.982 30.521 ( 9.699 1.226 2.988) 10.223 30.754 ( 4.705 -1.061 -3.878) 6.189 34.033 ( 0.550 -0.343 3.653) 3.710 34.205 ( -3.254 -1.858 -1.379) 3.993 77.865 ( -4.938 5.133 5.416) 8.948 77.990 ( -8.560 6.056 2.388) 10.755 ======================= Grid point 531 (167/240) ======================= q-point: ( 0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 7.245 -2.699 -0.377) 7.741 2.584 ( -1.926 -4.011 -1.480) 4.689 3.168 ( 1.714 2.431 5.669) 6.402 3.439 ( -7.808 5.247 -1.338) 9.502 5.646 ( 9.919 -9.066 5.129) 14.384 5.693 ( 8.118 -10.012 4.090) 13.523 7.079 ( 1.489 -7.921 4.077) 9.032 7.198 ( -0.178 -5.078 1.090) 5.197 8.782 ( -0.673 -5.004 -5.497) 7.464 8.847 ( -1.041 -4.682 -7.155) 8.613 10.383 ( 4.487 7.555 3.035) 9.296 10.572 ( 0.279 8.837 -1.195) 8.922 12.033 ( 1.595 2.144 6.480) 7.010 12.186 ( 0.730 2.187 -0.003) 2.306 12.675 ( 3.424 0.034 -7.949) 8.656 12.876 ( -3.122 -1.426 -13.414) 13.846 15.509 ( -0.443 1.429 5.745) 5.937 15.704 ( -8.762 1.911 -0.861) 9.009 30.691 ( 6.639 0.906 1.416) 6.849 30.814 ( 1.035 -0.227 -2.148) 2.395 34.054 ( 1.444 -1.068 2.706) 3.248 34.143 ( -2.780 -1.802 0.068) 3.314 77.788 ( -2.466 2.542 4.804) 5.968 77.860 ( -4.159 3.028 3.195) 6.056 ======================= Grid point 532 (168/240) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.000 -4.038 -1.078) 4.180 2.573 ( -0.000 -2.572 -1.937) 3.220 3.197 ( 0.000 1.701 4.483) 4.795 3.339 ( 0.000 3.953 0.926) 4.060 5.752 ( 0.000 -10.481 4.806) 11.530 5.772 ( 0.000 -9.732 4.160) 10.584 7.100 ( 0.000 -9.323 3.563) 9.980 7.195 ( 0.000 -5.044 1.200) 5.185 8.775 ( 0.000 -5.418 -5.514) 7.731 8.835 ( 0.000 -4.835 -7.419) 8.855 10.436 ( 0.000 9.489 1.967) 9.691 10.569 ( 0.000 8.193 0.494) 8.208 12.050 ( 0.000 2.024 6.594) 6.898 12.182 ( 0.000 3.156 0.926) 3.289 12.749 ( -0.000 -0.894 -10.303) 10.342 12.816 ( 0.000 -0.095 -12.833) 12.833 15.525 ( -0.000 2.036 3.341) 3.913 15.593 ( 0.000 2.264 1.818) 2.904 30.780 ( -0.000 0.325 -0.096) 0.339 30.804 ( 0.000 0.550 -0.590) 0.806 34.089 ( -0.000 -1.584 1.542) 2.210 34.095 ( 0.000 -1.534 1.414) 2.086 77.764 ( 0.000 1.572 4.560) 4.823 77.817 ( 0.000 2.032 3.472) 4.023 ======================= Grid point 540 (169/240) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 7.139 7.003) 10.000 1.828 ( 0.000 7.569 8.523) 11.399 2.313 ( 0.000 -0.952 -6.008) 6.083 2.660 ( 0.000 -8.856 -17.959) 20.024 4.241 ( 0.000 22.564 20.899) 30.755 4.839 ( 0.000 8.763 2.992) 9.259 7.278 ( 0.000 0.114 11.967) 11.967 7.701 ( 0.000 -5.587 -2.910) 6.299 7.763 ( 0.000 1.458 4.675) 4.897 8.103 ( 0.000 -1.788 -5.281) 5.575 10.137 ( 0.000 -1.795 -0.623) 1.900 10.609 ( 0.000 -4.711 -12.523) 13.379 11.257 ( 0.000 -0.743 3.073) 3.161 11.463 ( 0.000 -0.050 -2.891) 2.891 12.801 ( 0.000 -8.703 -1.286) 8.798 13.084 ( 0.000 2.230 -6.848) 7.202 16.156 ( 0.000 -8.225 20.453) 22.045 17.229 ( 0.000 -3.711 -19.322) 19.675 29.664 ( 0.000 1.550 5.293) 5.515 30.005 ( 0.000 -0.408 -4.762) 4.780 34.161 ( 0.000 1.883 2.132) 2.845 34.451 ( 0.000 -2.778 -5.233) 5.925 78.899 ( 0.000 23.551 11.546) 26.228 79.906 ( 0.000 10.298 -22.142) 24.420 ======================= Grid point 541 (170/240) ======================= q-point: ( 0.07 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 2.893 6.861 6.209) 9.695 2.091 ( 22.712 6.796 8.597) 25.218 2.518 ( 14.215 -2.790 -9.016) 17.063 2.692 ( 7.313 -6.868 -14.488) 17.622 4.246 ( 0.814 21.112 19.890) 29.017 4.799 ( -3.710 8.114 3.476) 9.575 7.249 ( -2.392 0.180 11.604) 11.849 7.606 ( -5.605 -0.869 -0.552) 5.698 7.957 ( 14.442 -2.975 2.356) 14.932 8.261 ( 13.785 -1.525 -5.745) 15.012 10.089 ( -4.121 -1.088 -0.769) 4.331 10.553 ( -4.813 -3.731 -12.464) 13.872 11.258 ( 0.493 -2.286 3.604) 4.296 11.514 ( 5.069 -0.285 -3.585) 6.215 12.834 ( 2.510 -7.602 -1.822) 8.210 13.077 ( -0.807 1.656 -6.079) 6.352 16.109 ( -4.449 -7.769 19.669) 21.611 17.136 ( -8.760 -3.391 -18.232) 20.510 29.720 ( 5.358 1.571 5.231) 7.651 30.062 ( 5.288 -0.809 -4.872) 7.235 34.148 ( -1.196 1.806 2.296) 3.157 34.432 ( -1.858 -2.604 -4.979) 5.918 78.836 ( -5.987 22.423 10.956) 25.664 79.740 ( -15.345 11.076 -18.694) 26.600 ======================= Grid point 542 (171/240) ======================= q-point: ( 0.14 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 6.042 5.304 4.888) 9.409 2.548 ( 7.784 -1.537 -4.893) 9.322 2.687 ( 18.828 0.345 -1.763) 18.914 3.155 ( 29.508 -0.252 -6.284) 30.171 4.297 ( 4.876 15.836 16.573) 23.436 4.703 ( -5.028 5.692 4.846) 9.009 7.189 ( -3.350 -0.667 10.980) 11.500 7.478 ( -6.818 0.947 0.231) 6.887 8.290 ( 16.331 -4.403 1.694) 16.998 8.585 ( 15.404 0.185 -7.261) 17.031 10.009 ( -2.380 -0.080 -0.656) 2.471 10.457 ( -3.130 -1.720 -11.689) 12.223 11.303 ( 4.322 -4.507 4.302) 7.582 11.665 ( 9.190 -0.364 -5.558) 10.746 12.873 ( 0.710 -5.142 -2.653) 5.830 13.043 ( -2.665 0.230 -4.526) 5.257 15.981 ( -7.681 -6.407 17.735) 20.362 16.889 ( -14.561 -2.689 -15.478) 21.420 29.875 ( 9.432 1.625 5.017) 10.807 30.209 ( 8.647 -1.566 -4.915) 10.069 34.115 ( -1.900 1.555 2.668) 3.626 34.379 ( -3.088 -2.272 -4.343) 5.794 78.665 ( -10.251 19.300 9.441) 23.805 79.329 ( -23.088 11.825 -11.272) 28.283 ======================= Grid point 543 (172/240) ======================= q-point: ( 0.21 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 8.451 2.940 3.411) 9.576 2.570 ( -0.449 -7.419 -12.541) 14.578 3.106 ( 15.218 9.628 10.716) 20.955 3.720 ( 21.800 4.105 -6.888) 23.228 4.482 ( 13.502 5.379 11.090) 18.281 4.641 ( 1.515 -0.340 6.902) 7.074 7.111 ( -4.263 -2.508 9.961) 11.121 7.333 ( -6.982 1.284 1.119) 7.187 8.571 ( 10.104 -4.592 -0.003) 11.098 8.811 ( 5.675 0.860 -8.286) 10.079 10.032 ( 4.790 0.937 0.341) 4.893 10.464 ( 3.900 1.211 -9.990) 10.792 11.446 ( 9.709 -5.212 4.496) 11.901 11.873 ( 10.510 0.684 -7.080) 12.690 12.855 ( -2.425 -2.699 -3.471) 5.021 12.969 ( -4.265 -1.356 -3.841) 5.898 15.811 ( -8.430 -4.354 15.351) 18.046 16.564 ( -16.481 -1.849 -11.955) 20.444 30.094 ( 11.479 1.672 4.578) 12.471 30.400 ( 9.511 -1.976 -4.501) 10.706 34.075 ( -1.881 1.095 2.985) 3.694 34.309 ( -3.605 -2.061 -3.492) 5.426 78.432 ( -11.937 14.885 7.583) 20.532 78.846 ( -22.892 10.617 -4.477) 25.628 ======================= Grid point 544 (173/240) ======================= q-point: ( 0.29 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 9.737 0.438 2.068) 9.964 2.556 ( -0.927 -7.090 -9.827) 12.153 3.281 ( 2.876 11.587 12.927) 17.596 3.917 ( -2.072 8.763 -4.307) 9.982 4.816 ( 18.692 -7.323 6.814) 21.200 4.871 ( 18.168 -4.349 5.680) 19.526 7.019 ( -4.440 -4.358 8.400) 10.453 7.206 ( -5.138 -0.270 1.652) 5.404 8.698 ( 2.665 -4.553 -2.388) 5.791 8.842 ( -1.409 -0.698 -7.797) 7.953 10.181 ( 8.807 2.567 1.948) 9.378 10.585 ( 6.576 4.420 -7.419) 10.854 11.693 ( 13.587 -3.918 3.902) 14.669 12.067 ( 7.621 2.659 -6.027) 10.073 12.781 ( -4.434 -0.493 -4.130) 6.079 12.888 ( -3.041 -2.971 -6.183) 7.503 15.655 ( -6.335 -2.064 12.741) 14.378 16.233 ( -15.237 -0.741 -8.168) 17.304 30.333 ( 11.372 1.634 3.857) 12.119 30.586 ( 8.274 -1.801 -3.599) 9.200 34.042 ( -1.245 0.445 3.031) 3.307 34.235 ( -3.601 -2.017 -2.469) 4.809 78.190 ( -11.173 10.129 5.946) 16.211 78.418 ( -18.287 7.709 -0.157) 19.846 ======================= Grid point 545 (174/240) ======================= q-point: ( 0.36 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 9.632 -1.760 0.913) 9.834 2.530 ( -1.595 -5.729 -5.710) 8.244 3.281 ( -1.670 8.842 11.616) 14.694 3.764 ( -10.491 6.589 -0.740) 12.411 5.197 ( 16.384 -8.734 4.614) 19.131 5.234 ( 15.660 -8.167 4.654) 18.265 6.942 ( -2.736 -5.936 6.665) 9.335 7.125 ( -2.799 -3.164 1.478) 4.476 8.707 ( -1.110 -4.467 -3.695) 5.902 8.796 ( -2.399 -2.754 -6.882) 7.791 10.367 ( 8.913 4.582 3.043) 10.474 10.696 ( 3.779 6.014 -4.211) 8.257 11.958 ( 10.754 -0.785 4.039) 11.514 12.178 ( 3.643 3.605 -3.488) 6.200 12.693 ( -3.376 0.587 -5.239) 6.260 12.854 ( -0.564 -3.169 -10.860) 11.327 15.561 ( -2.675 0.100 9.812) 10.171 15.950 ( -12.017 0.627 -4.298) 12.778 30.549 ( 9.428 1.436 2.865) 9.958 30.730 ( 5.529 -1.191 -2.394) 6.142 34.026 ( -0.271 -0.302 2.720) 2.750 34.164 ( -3.236 -2.011 -1.298) 4.025 77.985 ( -8.525 5.955 4.850) 11.475 78.103 ( -12.182 4.488 1.989) 13.134 ======================= Grid point 546 (175/240) ======================= q-point: ( 0.43 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 6.693 -3.649 -0.015) 7.623 2.497 ( -1.247 -3.911 -1.677) 4.435 3.251 ( -0.607 5.260 8.839) 10.304 3.543 ( -9.875 4.290 1.580) 10.882 5.452 ( 8.263 -8.994 4.809) 13.127 5.484 ( 8.211 -9.513 4.095) 13.217 6.909 ( -0.642 -7.542 5.180) 9.173 7.086 ( -1.122 -5.567 0.989) 5.765 8.679 ( -1.183 -4.522 -3.978) 6.138 8.754 ( -1.604 -4.081 -6.088) 7.502 10.535 ( 7.093 6.477 2.810) 10.009 10.732 ( -0.289 6.200 -0.987) 6.285 12.091 ( 2.643 3.076 5.524) 6.853 12.240 ( 2.028 2.921 -1.594) 3.897 12.676 ( 2.037 -0.041 -8.720) 8.955 12.839 ( -1.439 -1.996 -13.228) 13.455 15.544 ( 0.924 1.816 6.624) 6.930 15.744 ( -8.015 1.777 -0.510) 8.225 30.711 ( 6.148 1.030 1.670) 6.454 30.807 ( 1.881 -0.393 -1.063) 2.196 34.031 ( 0.784 -1.012 2.057) 2.423 34.103 ( -2.601 -1.893 -0.068) 3.218 77.849 ( -4.543 3.059 4.290) 6.958 77.917 ( -6.031 2.193 2.830) 7.014 ======================= Grid point 547 (176/240) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.000 -4.402 0.532) 4.434 2.513 ( 0.000 -3.195 -0.937) 3.330 3.256 ( 0.000 3.827 6.946) 7.930 3.419 ( 0.000 3.402 3.100) 4.602 5.537 ( 0.000 -9.441 5.085) 10.723 5.567 ( 0.000 -9.403 3.927) 10.190 6.905 ( 0.000 -8.327 4.533) 9.481 7.075 ( 0.000 -6.425 0.789) 6.473 8.666 ( 0.000 -4.624 -4.029) 6.133 8.736 ( 0.000 -4.465 -5.710) 7.249 10.630 ( -0.000 8.338 1.529) 8.477 10.707 ( 0.000 5.031 1.372) 5.215 12.113 ( 0.000 3.777 5.539) 6.704 12.255 ( 0.000 3.526 -0.206) 3.532 12.727 ( 0.000 -1.008 -10.909) 10.956 12.804 ( 0.000 -1.018 -13.397) 13.436 15.578 ( -0.000 2.830 3.863) 4.788 15.638 ( 0.000 1.891 2.458) 3.101 30.789 ( 0.000 0.522 0.565) 0.769 30.813 ( 0.000 0.271 0.084) 0.284 34.055 ( -0.000 -1.532 1.154) 1.918 34.061 ( 0.000 -1.598 1.035) 1.904 77.802 ( 0.000 1.989 4.108) 4.564 77.854 ( 0.000 1.411 3.051) 3.362 ======================= Grid point 555 (177/240) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.000 14.237 -6.385) 15.603 1.967 ( 0.000 5.345 4.737) 7.142 2.286 ( 0.000 -1.497 -4.602) 4.839 2.435 ( 0.000 -12.668 -18.706) 22.592 4.660 ( 0.000 16.771 17.305) 24.098 4.967 ( 0.000 2.633 8.115) 8.532 7.304 ( 0.000 2.120 12.555) 12.733 7.591 ( 0.000 -4.706 1.108) 4.834 7.791 ( 0.000 1.109 3.096) 3.288 8.069 ( 0.000 -1.349 -5.126) 5.301 10.125 ( 0.000 0.854 -8.773) 8.814 10.471 ( 0.000 -7.414 -17.943) 19.414 11.246 ( 0.000 -0.326 3.670) 3.685 11.461 ( 0.000 -0.130 -2.687) 2.691 12.641 ( 0.000 -5.727 3.016) 6.473 13.152 ( 0.000 3.109 -7.694) 8.298 16.026 ( 0.000 -4.124 21.071) 21.470 17.155 ( 0.000 -2.905 -20.086) 20.295 29.692 ( 0.000 1.042 4.831) 4.942 29.997 ( 0.000 -0.335 -4.154) 4.168 34.188 ( 0.000 0.803 1.162) 1.412 34.405 ( 0.000 -1.536 -4.698) 4.943 79.372 ( 0.000 20.568 7.294) 21.823 79.985 ( 0.000 -2.281 -13.068) 13.266 ======================= Grid point 556 (178/240) ======================= q-point: ( 0.07 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 1.542 13.337 -5.995) 14.704 2.215 ( 21.491 4.587 4.633) 22.458 2.396 ( 2.262 -9.516 -14.843) 17.776 2.571 ( 20.397 -3.777 -7.537) 22.070 4.637 ( -2.040 15.550 16.654) 22.876 4.919 ( -4.490 2.622 8.201) 9.710 7.270 ( -3.113 1.654 12.582) 13.066 7.556 ( -3.147 -3.362 1.126) 4.741 7.927 ( 12.128 -0.203 3.543) 12.637 8.237 ( 15.048 -0.785 -5.843) 16.162 10.093 ( -2.761 1.560 -8.697) 9.257 10.438 ( -2.917 -6.423 -17.700) 19.054 11.217 ( -1.857 -1.495 4.491) 5.085 11.506 ( 4.585 -0.378 -3.818) 5.978 12.687 ( 3.706 -5.322 2.080) 6.811 13.140 ( -1.316 2.976 -6.738) 7.482 15.986 ( -3.802 -3.938 20.378) 21.100 17.067 ( -8.244 -2.704 -19.054) 20.936 29.749 ( 5.410 1.069 4.740) 7.272 30.047 ( 4.744 -0.533 -4.055) 6.263 34.175 ( -1.277 0.794 1.298) 1.986 34.388 ( -1.665 -1.483 -4.498) 5.020 79.284 ( -8.327 19.378 7.069) 22.245 79.839 ( -13.664 -1.210 -11.153) 17.680 ======================= Grid point 557 (179/240) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 3.493 11.211 -5.291) 12.879 2.388 ( -0.126 -10.654 -15.555) 18.854 2.771 ( 28.045 4.255 5.922) 28.978 3.138 ( 31.509 -1.086 -5.052) 31.930 4.586 ( -2.554 11.166 14.757) 18.681 4.795 ( -7.026 2.619 8.304) 11.188 7.183 ( -5.187 0.166 12.610) 13.636 7.469 ( -5.219 -1.497 1.164) 5.553 8.228 ( 15.379 -1.600 4.173) 16.016 8.596 ( 16.988 0.543 -7.663) 18.644 10.041 ( -1.302 2.851 -7.976) 8.570 10.388 ( -0.554 -4.377 -16.296) 16.883 11.218 ( 2.773 -3.213 5.473) 6.925 11.650 ( 9.267 -0.804 -6.402) 11.293 12.754 ( 2.106 -4.547 0.260) 5.017 13.093 ( -3.351 2.675 -4.701) 6.363 15.879 ( -6.336 -3.311 18.591) 19.918 16.834 ( -13.845 -2.230 -16.290) 21.494 29.905 ( 9.520 1.147 4.465) 10.578 30.182 ( 8.086 -0.950 -3.699) 8.942 34.139 ( -2.108 0.747 1.620) 2.761 34.340 ( -2.913 -1.394 -3.949) 5.102 79.046 ( -14.284 16.217 6.444) 22.551 79.461 ( -21.989 0.917 -6.747) 23.019 ======================= Grid point 558 (180/240) ======================= q-point: ( 0.21 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 5.280 8.128 -4.187) 10.558 2.387 ( 0.141 -9.760 -13.416) 16.591 3.285 ( 19.598 6.662 9.686) 22.853 3.773 ( 27.681 1.176 -5.446) 28.237 4.536 ( -2.640 0.294 12.939) 13.209 4.686 ( -0.716 3.564 7.004) 7.891 7.062 ( -6.396 -1.817 12.218) 13.910 7.346 ( -6.565 0.006 1.251) 6.683 8.497 ( 9.750 -2.339 2.869) 10.429 8.834 ( 5.086 0.963 -9.139) 10.503 10.079 ( 5.350 3.126 -5.465) 8.262 10.461 ( 7.665 -1.246 -13.446) 15.528 11.348 ( 9.963 -3.766 5.646) 12.055 11.874 ( 11.890 -0.459 -8.443) 14.590 12.762 ( -1.193 -3.823 -1.871) 4.420 13.004 ( -5.135 2.272 -3.238) 6.482 15.741 ( -6.623 -2.229 16.252) 17.691 16.524 ( -15.610 -1.633 -12.500) 20.065 30.126 ( 11.531 1.242 4.004) 12.269 30.365 ( 9.351 -1.258 -3.033) 9.911 34.093 ( -2.266 0.602 1.938) 3.042 34.272 ( -3.560 -1.367 -3.153) 4.948 78.721 ( -16.661 12.049 5.570) 21.302 78.982 ( -23.588 2.319 -2.304) 23.814 ======================= Grid point 559 (181/240) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 6.468 4.499 -2.690) 8.325 2.395 ( 0.681 -7.932 -9.820) 12.641 3.515 ( 2.947 9.773 13.349) 16.805 4.065 ( -3.040 4.900 -0.529) 5.791 4.636 ( 16.724 -7.597 7.715) 19.923 4.820 ( 12.198 -1.679 3.680) 12.851 6.932 ( -5.845 -3.336 11.063) 12.950 7.206 ( -6.831 0.109 1.350) 6.964 8.618 ( 2.500 -2.795 -0.384) 3.770 8.837 ( -3.185 0.025 -8.872) 9.427 10.243 ( 9.818 2.978 -1.541) 10.375 10.648 ( 8.799 1.630 -8.963) 12.665 11.619 ( 15.659 -2.763 4.264) 16.463 12.107 ( 9.902 1.104 -7.896) 12.713 12.719 ( -2.551 -3.236 -4.605) 6.180 12.895 ( -4.909 1.580 -3.954) 6.499 15.623 ( -4.478 -0.934 13.565) 14.316 16.215 ( -14.051 -0.839 -8.336) 16.359 30.364 ( 11.291 1.267 3.376) 11.852 30.553 ( 8.576 -1.261 -2.127) 8.926 34.050 ( -1.796 0.317 2.075) 2.762 34.198 ( -3.618 -1.394 -2.195) 4.455 78.384 ( -15.586 7.902 4.682) 18.091 78.525 ( -20.216 2.374 0.755) 20.369 ======================= Grid point 560 (182/240) ======================= q-point: ( 0.36 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 6.551 0.619 -0.907) 6.642 2.412 ( 0.874 -5.165 -5.294) 7.448 3.472 ( -5.152 8.539 13.231) 16.569 3.860 ( -12.984 2.260 4.402) 13.895 5.024 ( 17.305 -6.358 3.404) 18.748 5.099 ( 13.141 -4.967 3.013) 14.368 6.835 ( -3.425 -3.884 9.035) 10.414 7.074 ( -5.890 -1.737 1.509) 6.324 8.629 ( -0.789 -2.723 -2.761) 3.957 8.753 ( -4.236 -1.432 -7.431) 8.672 10.454 ( 10.107 3.393 1.381) 10.750 10.785 ( 4.371 2.554 -4.090) 6.508 11.939 ( 13.979 -0.849 3.170) 14.359 12.252 ( 4.088 3.044 -4.292) 6.663 12.673 ( -1.645 -2.060 -7.287) 7.749 12.824 ( -1.765 0.067 -8.373) 8.557 15.566 ( -1.028 0.300 10.431) 10.486 15.959 ( -10.715 0.182 -4.233) 11.523 30.577 ( 9.143 1.134 2.618) 9.578 30.707 ( 6.145 -0.950 -1.121) 6.318 34.022 ( -0.897 -0.094 1.934) 2.134 34.127 ( -3.182 -1.386 -1.155) 3.658 78.098 ( -11.880 4.546 4.013) 13.338 78.168 ( -14.190 1.564 2.305) 14.461 ======================= Grid point 561 (183/240) ======================= q-point: ( 0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 4.372 -2.590 0.947) 5.169 2.430 ( 0.848 -2.443 -0.812) 2.710 3.371 ( -3.387 5.677 10.825) 12.684 3.601 ( -11.083 1.081 5.640) 12.482 5.294 ( 8.559 -5.568 3.468) 10.784 5.318 ( 7.695 -5.897 3.203) 10.210 6.793 ( -0.815 -3.273 6.625) 7.435 6.973 ( -3.689 -4.865 1.918) 6.400 8.607 ( -0.927 -2.124 -3.711) 4.375 8.680 ( -2.608 -2.814 -5.834) 6.982 10.642 ( 7.971 3.696 2.352) 9.096 10.827 ( -0.314 2.875 -0.434) 2.924 12.147 ( 5.766 2.023 4.314) 7.480 12.297 ( 0.907 2.175 -0.892) 2.520 12.672 ( 1.895 -0.354 -10.501) 10.677 12.804 ( -1.046 -1.150 -12.576) 12.671 15.578 ( 2.099 1.316 6.942) 7.370 15.774 ( -7.265 1.072 -0.382) 7.353 30.731 ( 5.662 0.809 1.774) 5.988 30.798 ( 2.595 -0.437 -0.119) 2.634 34.014 ( 0.207 -0.553 1.496) 1.608 34.069 ( -2.378 -1.259 -0.127) 2.693 77.908 ( -6.390 2.405 3.670) 7.752 77.947 ( -7.200 0.688 2.839) 7.770 ======================= Grid point 562 (184/240) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 -2.032 2.233) 3.019 2.443 ( 0.000 -3.225 0.948) 3.361 3.348 ( 0.000 4.725 8.878) 10.057 3.464 ( -0.000 0.522 6.367) 6.389 5.379 ( 0.000 -5.252 4.059) 6.638 5.400 ( 0.000 -6.097 3.018) 6.803 6.788 ( 0.000 -2.347 5.351) 5.843 6.932 ( 0.000 -6.900 2.312) 7.277 8.598 ( 0.000 -1.690 -4.001) 4.343 8.652 ( 0.000 -3.479 -5.062) 6.142 10.764 ( -0.000 4.313 1.460) 4.553 10.784 ( 0.000 2.465 1.946) 3.141 12.198 ( 0.000 4.161 4.374) 6.037 12.304 ( 0.000 0.629 1.003) 1.184 12.717 ( 0.000 0.314 -12.378) 12.382 12.776 ( -0.000 -1.589 -13.592) 13.684 15.634 ( -0.000 2.328 3.718) 4.386 15.667 ( 0.000 0.831 2.900) 3.017 30.800 ( 0.000 0.533 0.999) 1.132 30.815 ( 0.000 -0.085 0.708) 0.713 34.029 ( -0.000 -0.896 0.823) 1.216 34.032 ( 0.000 -1.044 0.753) 1.287 77.841 ( 0.000 1.670 3.575) 3.946 77.873 ( 0.000 0.332 2.938) 2.956 ======================= Grid point 570 (185/240) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 0.000 3.112) 3.112 2.120 ( 0.000 0.000 -13.826) 13.826 2.157 ( 0.000 -0.000 -16.173) 16.173 2.265 ( 0.000 0.000 -3.792) 3.792 4.896 ( 0.000 0.000 14.292) 14.292 4.941 ( 0.000 0.000 11.644) 11.644 7.337 ( 0.000 0.000 13.254) 13.254 7.531 ( 0.000 0.000 2.522) 2.522 7.804 ( 0.000 0.000 2.450) 2.450 8.053 ( 0.000 0.000 -5.018) 5.018 10.150 ( 0.000 0.000 -11.711) 11.711 10.371 ( 0.000 0.000 -20.887) 20.887 11.243 ( 0.000 0.000 3.879) 3.879 11.459 ( 0.000 0.000 -2.598) 2.598 12.579 ( 0.000 0.000 5.320) 5.320 13.187 ( 0.000 0.000 -8.290) 8.290 15.984 ( 0.000 0.000 21.096) 21.096 17.122 ( 0.000 0.000 -20.301) 20.301 29.703 ( 0.000 0.000 4.634) 4.634 29.993 ( 0.000 0.000 -3.902) 3.902 34.196 ( 0.000 0.000 0.892) 0.892 34.389 ( 0.000 0.000 -4.571) 4.571 79.658 ( 0.000 0.000 2.811) 2.811 79.892 ( 0.000 -0.000 -6.450) 6.450 ======================= Grid point 572 (186/240) ======================= q-point: ( 0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.993 0.000 -12.116) 12.157 2.142 ( -0.303 -0.000 -14.673) 14.676 2.281 ( 21.133 0.000 2.391) 21.268 2.532 ( 23.169 0.000 -4.622) 23.625 4.850 ( -4.344 0.000 14.132) 14.784 4.902 ( -3.532 0.000 11.215) 11.758 7.296 ( -3.828 0.000 13.288) 13.828 7.509 ( -2.106 0.000 2.329) 3.140 7.928 ( 11.283 0.000 3.327) 11.763 8.229 ( 15.677 0.000 -5.756) 16.700 10.126 ( -2.074 0.000 -11.664) 11.847 10.349 ( -1.897 0.000 -20.440) 20.528 11.201 ( -2.888 0.000 4.886) 5.676 11.502 ( 4.299 0.000 -3.951) 5.839 12.630 ( 4.072 0.000 4.272) 5.901 13.174 ( -1.440 0.000 -7.335) 7.475 15.945 ( -3.613 0.000 20.456) 20.772 17.037 ( -8.051 0.000 -19.283) 20.896 29.761 ( 5.443 0.000 4.531) 7.082 30.041 ( 4.558 0.000 -3.738) 5.895 34.183 ( -1.280 0.000 1.006) 1.628 34.372 ( -1.627 0.000 -4.374) 4.667 79.552 ( -10.014 0.000 3.001) 10.454 79.763 ( -12.164 -0.000 -5.349) 13.288 ======================= Grid point 574 (187/240) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 1.632 0.000 -11.749) 11.862 2.145 ( 0.482 -0.000 -13.145) 13.154 2.819 ( 28.472 0.000 5.020) 28.912 3.124 ( 32.247 0.000 -4.417) 32.549 4.722 ( -8.001 0.000 13.900) 16.038 4.810 ( -4.987 0.000 9.727) 10.931 7.189 ( -6.399 0.000 13.391) 14.842 7.446 ( -4.023 0.000 1.854) 4.430 8.213 ( 14.787 0.000 4.730) 15.525 8.602 ( 17.601 0.000 -7.597) 19.171 10.087 ( -0.858 0.000 -11.054) 11.088 10.324 ( 0.942 0.000 -18.337) 18.362 11.182 ( 2.088 0.000 6.023) 6.375 11.640 ( 9.125 0.000 -6.830) 11.398 12.705 ( 2.515 0.000 2.212) 3.349 13.123 ( -3.533 0.000 -5.316) 6.382 15.844 ( -5.897 0.000 18.764) 19.669 16.809 ( -13.561 0.000 -16.511) 21.366 29.918 ( 9.581 0.000 4.224) 10.471 30.172 ( 7.865 0.000 -3.245) 8.508 34.147 ( -2.139 0.000 1.282) 2.493 34.325 ( -2.892 0.000 -3.823) 4.793 79.267 ( -16.997 0.000 3.372) 17.328 79.421 ( -20.204 -0.000 -2.744) 20.389 ======================= Grid point 576 (188/240) ======================= q-point: ( 0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 1.323 0.000 -10.442) 10.525 2.186 ( 3.000 -0.000 -9.838) 10.286 3.359 ( 21.755 0.000 8.515) 23.362 3.782 ( 29.789 0.000 -4.800) 30.173 4.535 ( -9.225 0.000 14.269) 16.991 4.730 ( -1.579 0.000 6.580) 6.767 7.043 ( -7.481 0.000 13.229) 15.198 7.344 ( -5.880 0.000 1.361) 6.036 8.473 ( 9.370 0.000 3.780) 10.104 8.844 ( 4.897 0.000 -9.266) 10.480 10.123 ( 4.805 0.000 -8.174) 9.481 10.439 ( 9.994 0.000 -14.655) 17.738 11.306 ( 10.084 0.000 6.194) 11.834 11.866 ( 12.341 0.000 -9.057) 15.308 12.722 ( -0.845 0.000 -0.194) 0.867 13.030 ( -5.404 0.000 -3.861) 6.642 15.718 ( -5.984 0.000 16.472) 17.526 16.506 ( -15.255 0.000 -12.634) 19.808 30.140 ( 11.585 0.000 3.736) 12.173 30.351 ( 9.245 0.000 -2.465) 9.568 34.099 ( -2.362 0.000 1.563) 2.832 34.257 ( -3.577 0.000 -3.015) 4.678 78.884 ( -19.563 0.000 3.590) 19.890 78.972 ( -22.516 -0.000 -0.018) 22.516 ======================= Grid point 578 (189/240) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 2.264 0.000 -6.697) 7.069 2.259 ( 4.043 -0.000 -7.215) 8.270 3.631 ( 3.981 0.000 12.668) 13.279 4.113 ( -5.085 0.000 2.499) 5.666 4.549 ( 17.649 -0.000 7.147) 19.041 4.801 ( 8.980 0.000 2.702) 9.378 6.896 ( -6.424 0.000 12.304) 13.880 7.207 ( -7.215 0.000 1.163) 7.308 8.588 ( 2.334 0.000 0.218) 2.344 8.838 ( -3.874 0.000 -9.178) 9.962 10.280 ( 9.771 0.000 -3.239) 10.293 10.662 ( 9.786 0.000 -9.318) 13.512 11.589 ( 16.569 0.000 4.473) 17.162 12.117 ( 11.107 0.000 -8.799) 14.170 12.684 ( -2.378 0.000 -3.214) 3.998 12.914 ( -5.360 0.000 -4.417) 6.945 15.614 ( -3.810 0.000 13.771) 14.289 16.205 ( -13.551 0.000 -8.355) 15.920 30.379 ( 11.279 0.000 3.122) 11.703 30.539 ( 8.646 0.000 -1.524) 8.779 34.054 ( -1.973 0.000 1.701) 2.605 34.182 ( -3.636 0.000 -2.061) 4.180 78.491 ( -18.048 0.000 3.541) 18.392 78.528 ( -19.994 -0.000 1.888) 20.083 ======================= Grid point 580 (190/240) ======================= q-point: ( 0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.134 0.000 -2.391) 3.942 2.344 ( 3.850 -0.000 -3.935) 5.505 3.579 ( -6.667 0.000 13.171) 14.762 3.872 ( -13.945 0.000 7.730) 15.944 4.957 ( 17.770 0.000 2.235) 17.910 5.042 ( 12.421 0.000 2.099) 12.597 6.793 ( -3.312 0.000 10.238) 10.760 7.055 ( -7.405 0.000 1.504) 7.556 8.600 ( -0.534 0.000 -2.597) 2.651 8.738 ( -5.067 0.000 -7.688) 9.207 10.492 ( 10.259 0.000 0.489) 10.271 10.810 ( 4.602 0.000 -3.799) 5.968 11.929 ( 15.071 0.000 3.034) 15.374 12.287 ( 4.835 -0.000 -4.844) 6.844 12.645 ( -0.831 0.000 -7.237) 7.285 12.829 ( -2.686 0.000 -8.059) 8.494 15.570 ( -0.435 0.000 10.572) 10.581 15.960 ( -10.143 0.000 -4.206) 10.981 30.590 ( 9.018 0.000 2.449) 9.345 30.696 ( 6.372 0.000 -0.575) 6.398 34.021 ( -1.135 0.000 1.610) 1.970 34.111 ( -3.148 0.000 -1.067) 3.324 78.161 ( -13.576 0.000 3.350) 13.984 78.170 ( -14.442 -0.000 2.824) 14.716 ======================= Grid point 582 (191/240) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 3.599 0.000 1.363) 3.848 2.402 ( 1.395 0.000 -0.120) 1.401 3.445 ( -4.629 0.000 11.189) 12.109 3.602 ( -11.431 0.000 8.081) 13.999 5.235 ( 9.026 0.000 2.355) 9.328 5.253 ( 7.357 0.000 2.755) 7.856 6.764 ( 0.530 0.000 7.322) 7.342 6.913 ( -6.132 0.000 2.578) 6.652 8.588 ( -0.278 0.000 -3.830) 3.841 8.648 ( -3.491 0.000 -5.920) 6.873 10.682 ( 7.916 0.000 2.028) 8.172 10.855 ( -0.083 0.000 -0.098) 0.129 12.169 ( 7.954 0.000 3.694) 8.770 12.321 ( -0.866 0.000 0.168) 0.883 12.666 ( 2.887 0.000 -11.723) 12.073 12.792 ( -1.577 0.000 -12.172) 12.274 15.593 ( 2.545 0.000 6.974) 7.424 15.786 ( -6.931 0.000 -0.376) 6.941 30.741 ( 5.439 0.000 1.760) 5.717 30.792 ( 2.891 0.000 0.287) 2.906 34.009 ( -0.039 0.000 1.263) 1.264 34.055 ( -2.260 0.000 -0.127) 2.263 77.944 ( -7.415 0.000 3.108) 8.040 77.945 ( -7.288 -0.000 3.190) 7.955 ======================= Grid point 584 (192/240) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -1.445 -1.073 2.490) 3.073 2.391 ( 1.445 1.073 2.490) 3.073 3.435 ( -2.237 -2.628 8.850) 9.499 3.435 ( 2.237 2.628 8.850) 9.499 5.329 ( -0.060 -0.527 2.842) 2.891 5.329 ( 0.060 0.527 2.842) 2.891 6.810 ( -1.561 -3.722 4.539) 6.075 6.810 ( 1.561 3.722 4.539) 6.075 8.598 ( -0.560 -1.411 -4.635) 4.877 8.598 ( 0.560 1.411 -4.635) 4.877 10.810 ( -4.281 -0.023 1.784) 4.638 10.810 ( 4.281 0.023 1.784) 4.638 12.276 ( -1.587 -2.610 2.970) 4.260 12.276 ( 1.587 2.610 2.970) 4.260 12.741 ( -2.569 -1.134 -13.430) 13.721 12.741 ( 2.569 1.134 -13.430) 13.721 15.668 ( -4.398 -0.277 3.290) 5.499 15.668 ( 4.398 0.277 3.290) 5.499 30.810 ( -1.068 -0.195 1.052) 1.512 30.810 ( 1.068 0.195 1.052) 1.512 34.020 ( -1.130 -0.013 0.671) 1.314 34.020 ( 1.130 0.013 0.671) 1.314 77.868 ( -0.003 -0.805 3.140) 3.241 77.868 ( 0.003 0.805 3.140) 3.241 ======================= Grid point 660 (193/240) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 0.000 15.541) 15.541 2.122 ( 0.000 0.000 -11.695) 11.695 2.405 ( 0.000 0.000 19.033) 19.033 2.723 ( 0.000 0.000 -11.378) 11.378 3.646 ( 0.000 0.000 25.525) 25.525 4.104 ( 0.000 0.000 -18.410) 18.410 7.627 ( 0.000 0.000 8.593) 8.593 7.793 ( 0.000 0.000 -7.550) 7.550 7.882 ( 0.000 0.000 8.426) 8.426 8.044 ( 0.000 0.000 -7.137) 7.137 10.405 ( 0.000 0.000 6.602) 6.602 10.512 ( 0.000 0.000 -3.853) 3.853 11.340 ( 0.000 0.000 1.962) 1.962 11.389 ( 0.000 0.000 -2.781) 2.781 13.060 ( 0.000 0.000 6.562) 6.562 13.223 ( 0.000 0.000 -9.003) 9.003 16.842 ( 0.000 0.000 6.960) 6.960 17.011 ( 0.000 0.000 -9.287) 9.287 29.737 ( 0.000 0.000 7.058) 7.058 29.883 ( 0.000 0.000 -6.999) 6.999 34.205 ( 0.000 0.000 9.831) 9.831 34.410 ( 0.000 0.000 -9.990) 9.990 78.262 ( 0.000 0.000 10.864) 10.864 78.496 ( 0.000 0.000 -11.694) 11.694 ======================= Grid point 661 (194/240) ======================= q-point: ( 0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 17.438 0.000 15.487) 23.322 2.306 ( 13.275 0.000 -4.726) 14.091 2.469 ( 8.549 0.000 10.193) 13.304 2.734 ( 1.178 0.000 -10.415) 10.482 3.705 ( 6.434 0.000 23.663) 24.522 4.127 ( 2.920 0.000 -16.977) 17.226 7.501 ( -8.264 0.000 3.973) 9.169 7.530 ( -12.135 0.000 1.571) 12.236 8.211 ( 17.974 0.000 0.099) 17.974 8.255 ( 15.874 0.000 -3.503) 16.256 10.344 ( -5.074 0.000 5.955) 7.823 10.442 ( -5.962 0.000 -3.522) 6.925 11.389 ( 4.484 0.000 1.999) 4.910 11.439 ( 4.423 0.000 -2.871) 5.273 13.049 ( -1.130 0.000 6.713) 6.807 13.216 ( -0.864 0.000 -9.277) 9.318 16.758 ( -7.905 0.000 7.475) 10.879 16.932 ( -7.536 0.000 -9.300) 11.970 29.795 ( 5.484 0.000 7.255) 9.094 29.948 ( 6.102 0.000 -7.590) 9.738 34.196 ( -0.839 0.000 9.437) 9.475 34.391 ( -1.784 0.000 -9.370) 9.538 78.221 ( -3.776 0.000 9.639) 10.352 78.419 ( -6.939 0.000 -9.318) 11.618 ======================= Grid point 662 (195/240) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 13.156 0.000 17.200) 21.655 2.472 ( 5.481 0.000 12.806) 13.930 2.788 ( 4.654 0.000 -8.534) 9.720 2.810 ( 18.330 0.000 -13.255) 22.621 3.960 ( 19.263 0.000 18.105) 26.436 4.272 ( 12.529 0.000 -12.019) 17.362 7.334 ( -6.943 0.000 3.266) 7.673 7.357 ( -5.400 0.000 0.858) 5.468 8.545 ( 13.692 0.000 0.286) 13.695 8.585 ( 14.736 0.000 -2.973) 15.033 10.240 ( -4.152 0.000 4.406) 6.054 10.314 ( -5.449 0.000 -2.755) 6.106 11.512 ( 7.240 0.000 1.752) 7.449 11.555 ( 6.686 0.000 -2.642) 7.189 13.007 ( -3.196 0.000 6.743) 7.462 13.176 ( -3.333 0.000 -9.591) 10.154 16.534 ( -13.339 0.000 8.326) 15.725 16.714 ( -13.248 0.000 -9.159) 16.106 29.951 ( 9.301 0.000 7.497) 11.947 30.115 ( 9.579 0.000 -8.460) 12.780 34.174 ( -1.195 0.000 8.424) 8.509 34.344 ( -2.631 0.000 -7.917) 8.343 78.121 ( -5.553 0.000 6.877) 8.839 78.243 ( -9.324 0.000 -4.589) 10.392 ======================= Grid point 663 (196/240) ======================= q-point: ( 0.21 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 2.886 0.000 15.268) 15.538 2.577 ( 4.578 0.000 9.709) 10.734 2.918 ( 6.866 0.000 -3.629) 7.766 3.081 ( 7.851 0.000 -16.358) 18.144 4.479 ( 29.498 0.000 11.961) 31.831 4.664 ( 24.597 0.000 -6.022) 25.323 7.237 ( -2.650 0.000 3.538) 4.420 7.281 ( -2.107 0.000 -0.752) 2.237 8.753 ( 6.376 0.000 1.402) 6.528 8.817 ( 7.338 0.000 -4.198) 8.454 10.191 ( -0.663 0.000 2.996) 3.068 10.242 ( -1.482 0.000 -2.036) 2.518 11.683 ( 9.231 0.000 1.449) 9.344 11.714 ( 8.832 0.000 -1.936) 9.042 12.915 ( -5.640 0.000 6.148) 8.343 13.076 ( -6.252 0.000 -9.517) 11.387 16.235 ( -15.168 0.000 8.454) 17.365 16.408 ( -15.874 0.000 -8.511) 18.012 30.161 ( 10.778 0.000 7.192) 12.957 30.322 ( 10.109 0.000 -8.393) 13.139 34.150 ( -0.973 0.000 7.101) 7.168 34.289 ( -2.542 0.000 -6.241) 6.739 78.008 ( -5.155 0.000 4.204) 6.652 78.063 ( -7.769 0.000 -0.829) 7.813 ======================= Grid point 664 (197/240) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.424 0.000 11.382) 11.390 2.649 ( 2.204 0.000 4.241) 4.780 3.043 ( 5.212 0.000 -0.399) 5.228 3.175 ( 2.383 0.000 -12.700) 12.922 5.095 ( 28.903 0.000 7.811) 29.940 5.205 ( 26.054 0.000 -2.754) 26.199 7.219 ( 0.733 0.000 3.331) 3.411 7.267 ( 0.667 0.000 -1.372) 1.525 8.821 ( 0.885 0.000 1.152) 1.452 8.893 ( 0.588 0.000 -5.102) 5.136 10.201 ( 1.317 0.000 2.435) 2.768 10.241 ( 0.942 0.000 -1.609) 1.865 11.877 ( 9.178 0.000 2.021) 9.398 11.910 ( 9.759 0.000 -1.507) 9.874 12.782 ( -7.047 0.000 4.975) 8.626 12.928 ( -7.715 0.000 -9.397) 12.158 15.934 ( -13.508 0.000 7.511) 15.455 16.084 ( -15.094 0.000 -7.123) 16.690 30.379 ( 10.145 0.000 6.084) 11.830 30.517 ( 8.590 0.000 -7.203) 11.210 34.136 ( -0.416 0.000 5.657) 5.673 34.242 ( -2.033 0.000 -4.554) 4.988 77.916 ( -3.682 0.000 2.487) 4.443 77.932 ( -4.967 0.000 1.145) 5.098 ======================= Grid point 665 (198/240) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.133 0.000 6.902) 6.903 2.665 ( -0.468 0.000 -0.553) 0.725 3.134 ( 3.632 0.000 0.975) 3.761 3.209 ( 1.205 0.000 -6.697) 6.804 5.620 ( 21.383 0.000 4.968) 21.953 5.681 ( 19.453 0.000 -0.953) 19.476 7.260 ( 2.947 0.000 2.980) 4.191 7.301 ( 2.308 0.000 -1.013) 2.520 8.813 ( -1.165 0.000 -0.446) 1.248 8.870 ( -2.219 0.000 -5.400) 5.838 10.234 ( 1.649 0.000 2.204) 2.752 10.265 ( 1.110 0.000 -0.955) 1.464 12.040 ( 6.217 0.000 3.585) 7.176 12.091 ( 7.115 0.000 -1.434) 7.258 12.645 ( -5.595 0.000 3.191) 6.441 12.777 ( -6.571 0.000 -9.496) 11.548 15.696 ( -9.365 0.000 5.691) 10.959 15.806 ( -11.646 0.000 -5.005) 12.676 30.568 ( 7.977 0.000 4.283) 9.054 30.667 ( 5.842 0.000 -5.258) 7.860 34.133 ( 0.173 0.000 4.127) 4.130 34.206 ( -1.516 0.000 -2.828) 3.209 77.856 ( -2.555 0.000 1.879) 3.171 77.857 ( -2.161 0.000 1.735) 2.771 ======================= Grid point 666 (199/240) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.575 0.000 2.471) 2.537 2.640 ( -1.657 0.000 -2.246) 2.791 3.194 ( 2.176 0.000 1.247) 2.508 3.226 ( 0.439 0.000 -2.149) 2.193 5.957 ( 11.159 0.000 2.939) 11.540 5.984 ( 9.740 0.000 0.301) 9.744 7.325 ( 2.888 0.000 2.377) 3.740 7.347 ( 1.848 0.000 0.119) 1.852 8.790 ( -0.752 0.000 -2.486) 2.597 8.821 ( -2.165 0.000 -5.175) 5.610 10.264 ( 1.255 0.000 1.785) 2.182 10.282 ( 0.472 0.000 0.037) 0.473 12.128 ( 2.623 0.000 4.451) 5.167 12.177 ( 1.166 0.000 0.235) 1.189 12.580 ( -0.449 0.000 -0.572) 0.727 12.670 ( -3.894 0.000 -8.622) 9.460 15.557 ( -4.076 0.000 3.275) 5.229 15.615 ( -6.795 0.000 -2.366) 7.195 30.701 ( 4.857 0.000 2.033) 5.265 30.752 ( 2.419 0.000 -2.922) 3.794 34.142 ( 0.612 0.000 2.490) 2.564 34.179 ( -1.149 0.000 -1.045) 1.553 77.821 ( -0.938 0.000 1.968) 2.180 77.825 ( -1.005 0.000 1.617) 1.904 ======================= Grid point 667 (200/240) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -1.321 0.000 -0.893) 1.594 2.608 ( 1.321 0.000 -0.893) 1.594 3.224 ( -0.365 0.000 0.319) 0.485 3.224 ( 0.365 0.000 0.319) 0.485 6.078 ( -0.628 0.000 1.477) 1.605 6.078 ( 0.628 0.000 1.477) 1.605 7.363 ( -0.566 0.000 1.403) 1.513 7.363 ( 0.566 0.000 1.403) 1.513 8.790 ( -0.587 0.000 -4.211) 4.252 8.790 ( 0.587 0.000 -4.211) 4.252 10.282 ( -0.073 0.000 1.039) 1.042 10.282 ( 0.073 0.000 1.039) 1.042 12.166 ( -1.046 0.000 3.056) 3.230 12.166 ( 1.046 0.000 3.056) 3.230 12.607 ( -2.332 0.000 -5.393) 5.876 12.607 ( 2.332 0.000 -5.393) 5.876 15.530 ( -1.186 0.000 0.499) 1.286 15.530 ( 1.186 0.000 0.499) 1.286 30.764 ( -1.229 0.000 -0.432) 1.303 30.764 ( 1.229 0.000 -0.432) 1.303 34.158 ( -0.893 0.000 0.751) 1.166 34.158 ( 0.893 0.000 0.751) 1.166 77.813 ( -0.015 0.000 1.790) 1.790 77.813 ( 0.015 0.000 1.790) 1.790 ======================= Grid point 675 (201/240) ======================= q-point: ( 0.00 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 2.196 14.538) 14.703 2.130 ( 0.000 0.772 -11.166) 11.192 2.259 ( 0.000 -11.575 21.584) 24.492 2.642 ( 0.000 -7.266 -15.311) 16.947 3.825 ( 0.000 15.219 23.286) 27.818 4.227 ( 0.000 10.828 -15.608) 18.997 7.586 ( 0.000 -3.436 8.936) 9.574 7.756 ( 0.000 -3.243 -7.789) 8.437 7.880 ( 0.000 -0.200 8.047) 8.049 8.036 ( 0.000 -0.716 -6.989) 7.026 10.399 ( 0.000 -1.023 7.120) 7.193 10.519 ( 0.000 0.284 -4.656) 4.664 11.337 ( 0.000 -0.277 2.292) 2.309 11.391 ( 0.000 0.184 -2.972) 2.978 13.012 ( 0.000 -3.963 5.084) 6.446 13.150 ( 0.000 -6.436 -8.125) 10.365 16.791 ( 0.000 -4.513 9.591) 10.600 17.005 ( 0.000 -1.026 -11.434) 11.480 29.743 ( 0.000 0.559 6.897) 6.919 29.885 ( 0.000 0.222 -6.816) 6.819 34.211 ( 0.000 0.535 8.851) 8.867 34.399 ( 0.000 -1.026 -9.222) 9.279 78.388 ( 0.000 11.956 13.397) 17.956 78.684 ( 0.000 16.416 -15.492) 22.572 ======================= Grid point 676 (202/240) ======================= q-point: ( 0.07 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 14.095 -0.257 15.710) 21.108 2.274 ( 9.297 -4.075 7.947) 12.892 2.389 ( 16.239 -3.999 -1.207) 16.767 2.663 ( 2.743 -6.287 -13.766) 15.380 3.866 ( 4.692 13.943 21.788) 26.289 4.241 ( 1.863 9.994 -14.409) 17.634 7.473 ( -7.585 -1.684 5.943) 9.782 7.549 ( -10.245 0.896 -1.177) 10.351 8.160 ( 16.935 -3.872 2.006) 17.488 8.238 ( 15.338 -1.868 -4.892) 16.208 10.335 ( -5.321 -1.260 6.605) 8.575 10.448 ( -5.979 0.250 -4.455) 7.460 11.384 ( 4.274 -0.481 2.432) 4.941 11.441 ( 4.465 0.126 -3.123) 5.450 13.007 ( -0.693 -3.548 5.333) 6.443 13.149 ( -0.332 -5.913 -8.398) 10.276 16.712 ( -7.456 -4.125 9.665) 12.885 16.924 ( -7.695 -1.114 -11.108) 13.559 29.800 ( 5.438 0.511 7.053) 8.920 29.949 ( 5.934 0.046 -7.291) 9.401 34.201 ( -0.898 0.484 8.530) 8.591 34.381 ( -1.707 -0.946 -8.688) 8.905 78.340 ( -4.387 11.399 12.131) 17.215 78.599 ( -7.702 15.731 -12.996) 21.810 ======================= Grid point 677 (203/240) ======================= q-point: ( 0.14 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 5.471 -10.053 18.754) 21.971 2.531 ( 9.467 -0.364 0.258) 9.478 2.699 ( 12.443 -2.254 -1.160) 12.699 2.893 ( 19.394 3.881 -11.106) 22.684 4.062 ( 15.459 9.141 16.965) 24.705 4.344 ( 9.577 6.537 -10.324) 15.525 7.336 ( -5.524 0.399 4.118) 6.902 7.380 ( -6.183 1.784 -0.358) 6.445 8.493 ( 14.273 -4.165 1.379) 14.932 8.556 ( 14.090 -2.818 -4.143) 14.955 10.228 ( -4.093 -1.459 5.357) 6.898 10.322 ( -5.136 0.444 -3.867) 6.444 11.501 ( 6.966 -0.966 2.575) 7.490 11.560 ( 6.927 0.325 -3.341) 7.697 12.975 ( -2.612 -2.608 5.540) 6.657 13.121 ( -2.695 -4.810 -8.657) 10.264 16.500 ( -12.717 -3.173 9.696) 16.304 16.704 ( -13.245 -1.142 -10.324) 16.833 29.955 ( 9.265 0.426 7.227) 11.757 30.112 ( 9.456 -0.252 -7.988) 12.381 34.177 ( -1.322 0.318 7.696) 7.815 34.335 ( -2.569 -0.806 -7.417) 7.891 78.222 ( -6.671 9.812 9.219) 15.026 78.400 ( -10.785 13.660 -7.849) 19.092 ======================= Grid point 678 (204/240) ======================= q-point: ( 0.21 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 4.720 -10.781 16.168) 19.998 2.619 ( 1.886 -5.017 -7.287) 9.045 2.950 ( 9.561 6.855 8.917) 14.762 3.208 ( 9.499 8.822 -13.594) 18.784 4.507 ( 26.560 2.584 11.027) 28.874 4.672 ( 21.869 0.712 -4.947) 22.433 7.247 ( -3.108 0.839 3.574) 4.810 7.290 ( -2.762 0.777 -0.767) 2.970 8.713 ( 6.857 -3.298 1.278) 7.716 8.779 ( 7.132 -3.333 -4.481) 9.059 10.187 ( 0.127 -0.583 4.172) 4.215 10.262 ( -0.589 1.564 -3.205) 3.614 11.670 ( 9.372 -1.173 2.435) 9.754 11.723 ( 8.810 0.620 -2.957) 9.313 12.895 ( -5.145 -1.650 5.062) 7.404 13.034 ( -5.697 -3.738 -8.532) 10.919 16.214 ( -14.487 -1.966 9.228) 17.289 16.401 ( -15.599 -0.776 -9.161) 18.106 30.165 ( 10.792 0.403 6.902) 12.817 30.318 ( 10.139 -0.344 -7.876) 12.843 34.151 ( -1.158 0.031 6.579) 6.681 34.281 ( -2.555 -0.761 -5.914) 6.487 78.083 ( -6.547 7.500 6.281) 11.772 78.186 ( -9.594 10.508 -3.473) 14.646 ======================= Grid point 679 (205/240) ======================= q-point: ( 0.29 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 4.170 -8.675 11.978) 15.366 2.641 ( 0.340 -4.582 -5.826) 7.419 3.091 ( 4.791 6.787 7.805) 11.399 3.307 ( 1.341 9.760 -11.781) 15.357 5.078 ( 27.237 -1.671 7.101) 28.197 5.172 ( 24.732 -3.051 -2.001) 24.999 7.210 ( -0.369 -0.744 3.515) 3.612 7.260 ( -0.238 -0.728 -1.343) 1.547 8.789 ( 1.142 -2.746 0.716) 3.059 8.854 ( 0.701 -3.400 -4.961) 6.055 10.219 ( 2.485 1.487 3.619) 4.635 10.284 ( 2.110 3.556 -2.738) 4.959 11.874 ( 9.864 -0.587 2.239) 10.132 11.912 ( 9.187 0.334 -1.822) 9.372 12.770 ( -6.699 -0.925 3.994) 7.854 12.898 ( -7.143 -2.743 -8.565) 11.485 15.928 ( -12.819 -0.656 7.952) 15.099 16.085 ( -14.666 -0.036 -7.417) 16.435 30.384 ( 10.199 0.469 5.843) 11.763 30.515 ( 8.731 -0.177 -6.758) 11.043 34.132 ( -0.619 -0.334 5.311) 5.358 34.233 ( -2.106 -0.850 -4.357) 4.913 77.962 ( -5.038 4.971 4.241) 8.251 78.017 ( -6.730 7.011 -0.915) 9.761 ======================= Grid point 680 (206/240) ======================= q-point: ( 0.36 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 3.040 -5.249 6.913) 9.197 2.635 ( -0.790 -3.545 -3.963) 5.376 3.166 ( 2.734 4.231 5.233) 7.264 3.302 ( -1.164 7.317 -7.535) 10.567 5.575 ( 20.272 -4.204 4.622) 21.213 5.628 ( 18.642 -4.928 -0.498) 19.289 7.229 ( 1.988 -2.809 3.220) 4.713 7.274 ( 1.393 -2.492 -1.164) 3.083 8.785 ( -0.970 -2.429 -0.659) 2.697 8.835 ( -1.938 -3.065 -5.019) 6.192 10.274 ( 2.594 3.745 3.402) 5.686 10.331 ( 2.217 5.626 -2.145) 6.416 12.044 ( 6.158 0.376 3.239) 6.968 12.086 ( 7.195 -0.394 -1.172) 7.301 12.639 ( -5.400 -0.465 2.471) 5.957 12.759 ( -5.936 -1.644 -9.106) 10.994 15.702 ( -8.815 0.554 5.965) 10.659 15.815 ( -11.216 0.825 -5.063) 12.333 30.574 ( 8.027 0.570 4.139) 9.049 30.668 ( 6.011 0.122 -4.934) 7.778 34.126 ( -0.004 -0.698 3.911) 3.973 34.195 ( -1.596 -1.003 -2.727) 3.315 77.878 ( -3.158 2.753 3.135) 5.233 77.908 ( -3.964 3.952 0.304) 5.606 ======================= Grid point 681 (207/240) ======================= q-point: ( 0.43 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 1.759 -2.289 2.170) 3.612 2.614 ( -1.148 -2.521 -2.439) 3.691 3.209 ( 1.580 2.062 3.079) 4.028 3.275 ( -1.297 4.063 -3.193) 5.328 5.893 ( 10.487 -5.815 2.890) 12.334 5.917 ( 9.246 -6.071 0.582) 11.076 7.279 ( 2.418 -4.298 2.452) 5.508 7.306 ( 1.295 -3.885 -0.161) 4.098 8.765 ( -0.737 -2.274 -2.243) 3.277 8.793 ( -1.827 -2.537 -4.743) 5.680 10.319 ( 1.611 5.426 3.247) 6.526 10.368 ( 1.305 7.091 -1.443) 7.354 12.127 ( 2.347 0.112 4.448) 5.030 12.178 ( 1.447 0.015 -0.095) 1.450 12.576 ( -0.381 -0.292 -0.803) 0.935 12.663 ( -3.464 -0.637 -8.649) 9.339 15.571 ( -3.842 1.354 3.548) 5.402 15.632 ( -6.461 1.555 -2.357) 7.051 30.708 ( 4.856 0.619 2.012) 5.292 30.757 ( 2.557 0.415 -2.732) 3.765 34.131 ( 0.496 -0.980 2.369) 2.611 34.166 ( -1.187 -1.120 -1.022) 1.925 77.831 ( -1.417 1.233 2.574) 3.187 77.849 ( -1.825 1.926 0.882) 2.796 ======================= Grid point 682 (208/240) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 -1.617 -0.655) 1.745 2.593 ( -0.000 -1.601 -1.027) 1.902 3.229 ( 0.000 1.282 1.835) 2.238 3.257 ( 0.000 2.574 -0.901) 2.727 6.005 ( -0.000 -6.554 1.729) 6.779 6.008 ( 0.000 -6.375 1.511) 6.552 7.310 ( 0.000 -4.999 1.580) 5.243 7.317 ( 0.000 -4.207 0.867) 4.295 8.759 ( 0.000 -2.459 -3.143) 3.991 8.770 ( -0.000 -2.053 -4.381) 4.838 10.336 ( 0.000 6.068 3.167) 6.845 10.382 ( 0.000 7.599 -1.102) 7.679 12.155 ( 0.000 -0.267 4.076) 4.084 12.178 ( -0.000 0.456 1.562) 1.627 12.599 ( -0.000 -0.436 -4.878) 4.898 12.610 ( 0.000 -0.056 -6.108) 6.109 15.540 ( -0.000 1.400 1.511) 2.060 15.558 ( 0.000 2.070 -0.205) 2.080 30.768 ( -0.000 0.460 -0.070) 0.465 30.774 ( 0.000 0.706 -0.629) 0.945 34.145 ( -0.000 -1.154 0.773) 1.389 34.146 ( 0.000 -1.095 0.636) 1.266 77.817 ( 0.000 0.687 2.353) 2.451 77.830 ( 0.000 1.228 1.108) 1.654 ======================= Grid point 690 (209/240) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 3.541 11.916) 12.431 2.013 ( 0.000 -10.536 22.617) 24.950 2.151 ( 0.000 1.110 -9.692) 9.755 2.457 ( 0.000 -9.672 -19.935) 22.158 4.204 ( 0.000 19.879 19.000) 27.498 4.508 ( 0.000 15.088 -10.408) 18.329 7.514 ( 0.000 -2.811 8.873) 9.308 7.678 ( 0.000 -3.680 -7.281) 8.158 7.875 ( 0.000 -0.283 7.002) 7.008 8.015 ( 0.000 -1.230 -6.537) 6.652 10.339 ( 0.000 -5.084 7.851) 9.354 10.497 ( 0.000 -3.156 -7.429) 8.072 11.330 ( 0.000 -0.288 2.951) 2.965 11.395 ( 0.000 0.159 -3.282) 3.286 12.926 ( 0.000 -4.070 1.770) 4.438 12.999 ( 0.000 -6.369 -5.453) 8.384 16.669 ( 0.000 -6.838 13.672) 15.287 16.955 ( 0.000 -3.828 -14.680) 15.171 29.759 ( 0.000 0.931 6.445) 6.512 29.891 ( 0.000 0.334 -6.307) 6.316 34.223 ( 0.000 0.511 6.653) 6.672 34.371 ( 0.000 -1.603 -7.453) 7.624 78.733 ( 0.000 20.005 15.991) 25.611 79.097 ( 0.000 21.153 -19.584) 28.827 ======================= Grid point 691 (210/240) ======================= q-point: ( 0.07 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 2.351 -6.862 19.616) 20.914 2.219 ( 19.695 0.837 11.706) 22.927 2.340 ( 12.495 -2.681 -11.994) 17.527 2.520 ( 10.617 -5.922 -15.148) 19.423 4.218 ( 1.686 18.515 17.908) 25.813 4.501 ( -0.347 13.999 -9.514) 16.929 7.446 ( -4.854 -0.775 7.197) 8.716 7.559 ( -7.231 0.162 -3.737) 8.141 8.080 ( 15.106 -3.310 3.949) 15.961 8.186 ( 13.776 -2.663 -5.792) 15.179 10.274 ( -5.435 -4.836 7.495) 10.445 10.428 ( -5.839 -2.861 -7.370) 9.828 11.369 ( 3.499 -1.048 3.398) 4.989 11.442 ( 4.300 -0.153 -3.637) 5.634 12.931 ( 0.250 -3.372 2.043) 3.950 13.009 ( 0.619 -6.128 -5.620) 8.338 16.599 ( -6.613 -6.384 13.254) 16.130 16.875 ( -7.563 -3.628 -14.036) 16.352 29.815 ( 5.335 0.872 6.508) 8.460 29.950 ( 5.563 0.112 -6.543) 8.589 34.212 ( -1.018 0.455 6.477) 6.572 34.354 ( -1.540 -1.507 -7.096) 7.416 78.671 ( -5.836 19.171 14.670) 24.835 78.996 ( -9.268 20.443 -17.079) 28.205 ======================= Grid point 692 (211/240) ======================= q-point: ( 0.14 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 3.952 -8.619 18.627) 20.901 2.416 ( 2.197 -8.169 -16.599) 18.630 2.743 ( 24.401 4.329 10.851) 27.054 2.964 ( 25.524 2.829 -9.905) 27.525 4.305 ( 7.851 13.331 14.242) 21.029 4.521 ( 3.330 9.805 -6.605) 12.282 7.351 ( -4.311 0.868 5.209) 6.818 7.421 ( -6.131 1.991 -1.863) 6.710 8.404 ( 14.792 -3.867 2.442) 15.483 8.487 ( 13.787 -3.102 -5.215) 15.064 10.168 ( -3.570 -4.288 6.746) 8.754 10.311 ( -4.261 -2.057 -6.970) 8.424 11.469 ( 6.348 -2.137 4.278) 7.948 11.562 ( 7.225 -0.305 -4.663) 8.604 12.922 ( -1.480 -2.153 2.430) 3.568 13.005 ( -1.456 -5.345 -5.728) 7.969 16.410 ( -11.293 -5.111 12.216) 17.403 16.660 ( -12.762 -3.023 -12.471) 18.098 29.968 ( 9.184 0.768 6.517) 11.287 30.106 ( 9.161 -0.284 -6.848) 11.441 34.184 ( -1.597 0.261 6.005) 6.219 34.312 ( -2.439 -1.339 -6.211) 6.806 78.509 ( -9.380 16.740 11.507) 22.374 78.748 ( -13.997 18.099 -11.549) 25.630 ======================= Grid point 693 (212/240) ======================= q-point: ( 0.21 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 5.650 -8.405 15.163) 18.234 2.456 ( 2.002 -8.794 -14.640) 17.195 3.143 ( 13.122 10.105 12.773) 20.915 3.396 ( 14.146 8.665 -11.413) 20.136 4.578 ( 18.751 4.040 8.753) 21.084 4.692 ( 14.324 1.210 -2.226) 14.546 7.266 ( -4.020 0.672 3.811) 5.580 7.310 ( -4.589 1.100 -0.702) 4.771 8.640 ( 7.625 -3.253 0.981) 8.348 8.704 ( 6.752 -3.162 -4.781) 8.857 10.157 ( 2.499 -2.376 6.052) 6.965 10.285 ( 1.809 0.108 -6.223) 6.481 11.632 ( 9.426 -2.503 4.613) 10.788 11.733 ( 9.215 0.147 -5.120) 10.543 12.863 ( -4.256 -1.199 2.219) 4.947 12.942 ( -4.562 -4.350 -5.607) 8.436 16.157 ( -12.762 -3.276 10.788) 17.029 16.373 ( -14.631 -1.963 -10.452) 18.088 30.177 ( 10.825 0.742 6.135) 12.465 30.309 ( 10.186 -0.439 -6.597) 12.144 34.150 ( -1.578 -0.106 5.318) 5.548 34.259 ( -2.597 -1.297 -5.088) 5.858 78.306 ( -10.009 13.064 8.055) 18.323 78.455 ( -13.848 14.183 -6.250) 20.785 ======================= Grid point 694 (213/240) ======================= q-point: ( 0.29 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 6.443 -7.295 10.724) 14.482 2.497 ( 1.862 -7.883 -10.912) 13.590 3.295 ( 2.865 11.644 12.118) 17.048 3.534 ( 0.630 11.563 -10.662) 15.741 5.025 ( 22.822 -3.426 5.249) 23.667 5.080 ( 21.222 -5.687 -0.000) 21.971 7.190 ( -2.995 -1.262 3.629) 4.871 7.237 ( -2.533 -1.370 -0.884) 3.013 8.725 ( 1.342 -3.031 -0.212) 3.321 8.773 ( 0.637 -3.782 -4.404) 5.840 10.250 ( 5.807 1.245 5.610) 8.170 10.364 ( 5.135 3.650 -5.329) 8.251 11.846 ( 10.875 -1.989 3.855) 11.708 11.926 ( 8.988 0.795 -3.761) 9.775 12.753 ( -6.106 -0.592 1.500) 6.315 12.829 ( -5.978 -3.340 -6.094) 9.167 15.908 ( -11.037 -1.199 8.897) 14.227 16.080 ( -13.411 -0.505 -8.007) 15.627 30.398 ( 10.318 0.829 5.191) 11.580 30.510 ( 9.054 -0.237 -5.615) 10.657 34.122 ( -1.108 -0.609 4.434) 4.611 34.208 ( -2.289 -1.438 -3.833) 4.690 78.112 ( -8.520 8.867 5.375) 13.420 78.197 ( -10.971 9.560 -2.656) 14.793 ======================= Grid point 695 (214/240) ======================= q-point: ( 0.36 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 5.976 -5.442 5.863) 9.985 2.528 ( 1.102 -6.018 -6.388) 8.845 3.307 ( -0.838 8.803 9.074) 12.670 3.482 ( -4.484 9.594 -7.591) 13.030 5.453 ( 17.760 -7.278 3.710) 19.549 5.486 ( 16.994 -8.380 0.602) 18.957 7.152 ( -0.710 -4.354 3.614) 5.702 7.203 ( -0.788 -3.984 -1.294) 4.262 8.724 ( -0.939 -3.266 -1.053) 3.558 8.758 ( -1.532 -3.912 -4.121) 5.885 10.371 ( 5.547 5.016 5.161) 9.087 10.468 ( 4.548 6.869 -4.088) 9.196 12.048 ( 7.723 -0.300 2.780) 8.213 12.084 ( 6.369 0.645 -1.181) 6.509 12.631 ( -5.131 -0.231 0.627) 5.174 12.715 ( -4.664 -2.271 -7.728) 9.308 15.717 ( -7.338 0.760 6.552) 9.867 15.836 ( -10.030 1.042 -5.159) 11.327 30.590 ( 8.132 0.953 3.732) 8.999 30.671 ( 6.420 0.180 -4.074) 7.606 34.106 ( -0.449 -1.144 3.339) 3.558 34.166 ( -1.795 -1.666 -2.444) 3.460 77.962 ( -5.951 5.037 3.728) 8.642 78.009 ( -7.253 5.384 -0.677) 9.058 ======================= Grid point 696 (215/240) ======================= q-point: ( 0.43 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 3.889 -3.291 1.403) 5.284 2.542 ( 0.298 -4.025 -2.296) 4.643 3.286 ( -0.807 5.212 5.512) 7.629 3.384 ( -4.337 6.277 -3.868) 8.554 5.732 ( 9.178 -9.149 2.807) 13.260 5.750 ( 8.462 -9.423 1.107) 12.713 7.155 ( 0.704 -7.109 3.049) 7.767 7.198 ( 0.085 -5.962 -1.072) 6.058 8.703 ( -0.859 -3.547 -1.643) 4.003 8.726 ( -1.284 -3.576 -3.884) 5.434 10.467 ( 3.518 7.944 4.398) 9.738 10.540 ( 2.329 8.622 -2.467) 9.265 12.141 ( 2.125 1.252 3.734) 4.475 12.181 ( 2.247 0.492 -0.514) 2.357 12.569 ( -0.485 -0.345 -1.442) 1.560 12.643 ( -2.559 -1.229 -8.342) 8.811 15.610 ( -3.071 2.170 4.018) 5.503 15.674 ( -5.673 2.249 -2.238) 6.500 30.725 ( 4.838 0.999 1.928) 5.303 30.768 ( 2.903 0.617 -2.214) 3.703 34.104 ( 0.195 -1.583 2.042) 2.591 34.135 ( -1.273 -1.834 -0.947) 2.426 77.870 ( -2.976 2.363 2.868) 4.761 77.898 ( -3.582 2.561 0.278) 4.412 ======================= Grid point 697 (216/240) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.000 -2.947 -0.517) 2.992 2.545 ( -0.000 -2.391 -0.721) 2.498 3.280 ( 0.000 3.687 3.435) 5.039 3.332 ( 0.000 4.561 -1.509) 4.804 5.828 ( 0.000 -9.830 2.244) 10.083 5.835 ( 0.000 -9.617 1.568) 9.744 7.165 ( 0.000 -8.297 2.578) 8.689 7.200 ( 0.000 -6.601 -0.733) 6.641 8.694 ( 0.000 -3.690 -1.878) 4.140 8.712 ( 0.000 -3.346 -3.775) 5.044 10.505 ( 0.000 9.255 3.817) 10.011 10.564 ( 0.000 8.936 -1.487) 9.058 12.162 ( 0.000 1.126 3.806) 3.969 12.193 ( 0.000 1.232 0.248) 1.257 12.587 ( 0.000 -0.721 -4.590) 4.646 12.603 ( 0.000 -0.582 -6.509) 6.535 15.584 ( -0.000 2.665 2.188) 3.448 15.610 ( 0.000 2.729 -0.259) 2.741 30.782 ( -0.000 0.857 0.314) 0.913 30.792 ( 0.000 0.947 -0.583) 1.112 34.112 ( -0.000 -1.833 0.691) 1.959 34.115 ( 0.000 -1.813 0.474) 1.874 77.840 ( 0.000 1.398 2.568) 2.924 77.861 ( 0.000 1.579 0.595) 1.688 ======================= Grid point 705 (217/240) ======================= q-point: ( 0.00 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 -4.585 17.652) 18.238 2.005 ( 0.000 3.651 8.537) 9.285 2.172 ( 0.000 0.827 -7.573) 7.618 2.257 ( 0.000 -9.377 -20.579) 22.615 4.615 ( 0.000 18.635 14.591) 23.668 4.820 ( 0.000 13.979 -5.266) 14.938 7.482 ( 0.000 -0.205 8.072) 8.075 7.617 ( 0.000 -2.029 -5.257) 5.635 7.869 ( 0.000 -0.202 5.571) 5.575 7.988 ( 0.000 -1.349 -5.814) 5.968 10.192 ( 0.000 -8.286 5.993) 10.227 10.368 ( 0.000 -8.938 -10.606) 13.870 11.326 ( 0.000 -0.156 3.493) 3.496 11.397 ( 0.000 0.055 -3.418) 3.418 12.830 ( 0.000 -4.205 3.911) 5.743 12.944 ( 0.000 0.350 -6.594) 6.603 16.523 ( 0.000 -6.653 16.221) 17.533 16.857 ( 0.000 -5.094 -16.863) 17.615 29.779 ( 0.000 0.974 5.818) 5.899 29.898 ( 0.000 0.293 -5.609) 5.617 34.230 ( 0.000 0.179 4.482) 4.485 34.337 ( 0.000 -1.561 -5.651) 5.862 79.168 ( 0.000 20.393 14.597) 25.079 79.499 ( 0.000 16.219 -17.751) 24.045 ======================= Grid point 706 (218/240) ======================= q-point: ( 0.07 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 1.293 -3.742 16.231) 16.706 2.220 ( 2.314 -6.327 -15.715) 17.098 2.278 ( 21.647 1.943 6.392) 22.655 2.454 ( 21.534 -0.983 -9.103) 23.399 4.601 ( -1.080 17.457 13.763) 22.256 4.791 ( -2.578 13.042 -4.610) 14.071 7.443 ( -3.132 0.540 7.398) 8.052 7.559 ( -4.394 -0.118 -3.982) 5.931 8.030 ( 13.508 -1.562 4.663) 14.375 8.140 ( 13.126 -1.626 -5.838) 14.458 10.141 ( -4.345 -7.285 5.811) 10.281 10.314 ( -4.616 -7.856 -10.501) 13.903 11.342 ( 1.806 -1.378 4.402) 4.953 11.433 ( 3.501 -0.668 -4.293) 5.580 12.851 ( 1.565 -3.750 3.322) 5.249 12.952 ( 0.507 0.282 -5.929) 5.958 16.463 ( -5.720 -6.243 15.608) 17.756 16.783 ( -6.998 -4.770 -16.099) 18.190 29.834 ( 5.247 0.936 5.783) 7.864 29.953 ( 5.205 0.126 -5.630) 7.669 34.218 ( -1.115 0.147 4.420) 4.560 34.322 ( -1.394 -1.497 -5.439) 5.811 79.088 ( -7.569 19.552 13.484) 24.927 79.388 ( -10.421 15.884 -15.756) 24.681 ======================= Grid point 707 (219/240) ======================= q-point: ( 0.14 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 3.811 -3.773 14.055) 15.044 2.242 ( 1.284 -8.121 -17.367) 19.215 2.833 ( 28.521 3.957 8.958) 30.156 3.009 ( 29.418 1.449 -7.918) 30.499 4.589 ( 0.595 13.215 11.053) 17.238 4.731 ( -2.711 9.691 -2.577) 10.387 7.367 ( -4.283 0.675 6.315) 7.660 7.456 ( -5.607 1.145 -2.563) 6.271 8.343 ( 15.063 -1.892 3.715) 15.629 8.445 ( 14.468 -0.806 -6.103) 15.723 10.061 ( -2.035 -5.436 5.673) 8.116 10.228 ( -2.280 -5.642 -10.129) 11.817 11.413 ( 5.357 -3.078 6.111) 8.690 11.543 ( 7.148 -1.533 -6.277) 9.635 12.870 ( -0.239 -2.844 2.299) 3.664 12.948 ( -1.289 0.098 -4.660) 4.836 16.300 ( -9.647 -5.056 14.044) 17.772 16.585 ( -11.721 -3.891 -14.112) 18.753 29.985 ( 9.119 0.875 5.601) 10.737 30.101 ( 8.843 -0.196 -5.540) 10.436 34.187 ( -1.841 0.022 4.234) 4.617 34.283 ( -2.332 -1.391 -4.883) 5.587 78.874 ( -12.673 17.100 10.742) 23.841 79.099 ( -16.736 14.532 -11.112) 24.795 ======================= Grid point 708 (220/240) ======================= q-point: ( 0.21 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 5.933 -3.968 11.013) 13.124 2.280 ( 2.417 -7.870 -14.502) 16.676 3.340 ( 18.428 8.319 11.211) 23.119 3.553 ( 20.639 6.049 -9.312) 23.437 4.668 ( 8.260 4.314 6.344) 11.273 4.726 ( 4.010 2.084 0.870) 4.602 7.267 ( -5.339 -0.404 5.241) 7.492 7.333 ( -6.151 0.929 -1.371) 6.370 8.585 ( 7.692 -1.899 1.983) 8.167 8.665 ( 6.082 -0.606 -5.700) 8.357 10.098 ( 5.802 -2.818 5.955) 8.779 10.260 ( 5.551 -2.281 -9.369) 11.126 11.568 ( 9.622 -3.478 7.050) 12.425 11.722 ( 10.039 -1.243 -7.652) 12.683 12.831 ( -3.530 -2.130 1.356) 4.340 12.891 ( -4.172 -0.055 -3.827) 5.662 16.086 ( -10.670 -3.278 11.999) 16.388 16.323 ( -13.159 -2.590 -11.443) 17.630 30.195 ( 10.863 0.874 5.131) 12.045 30.301 ( 10.195 -0.357 -5.083) 11.398 34.147 ( -1.994 -0.246 3.902) 4.389 34.230 ( -2.666 -1.390 -4.102) 5.085 78.591 ( -14.302 13.385 7.609) 21.015 78.735 ( -17.914 11.827 -6.286) 22.367 ======================= Grid point 709 (221/240) ======================= q-point: ( 0.29 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 7.257 -4.008 7.564) 11.222 2.339 ( 3.196 -6.987 -10.563) 13.061 3.548 ( 2.568 12.066 12.413) 17.501 3.774 ( 1.245 11.042 -9.265) 14.468 4.931 ( 16.369 -6.246 3.724) 17.912 4.952 ( 16.634 -5.411 1.721) 17.577 7.154 ( -5.374 -2.080 4.715) 7.446 7.214 ( -5.226 -0.756 -1.129) 5.400 8.665 ( 0.853 -2.681 -0.040) 2.814 8.712 ( -0.453 -1.982 -4.520) 4.956 10.270 ( 9.845 0.821 6.424) 11.784 10.424 ( 9.151 2.025 -8.046) 12.352 11.796 ( 12.061 -2.596 6.253) 13.831 11.936 ( 10.142 0.082 -6.858) 12.243 12.734 ( -5.487 -1.525 0.325) 5.704 12.786 ( -5.701 -0.330 -4.095) 7.027 15.881 ( -8.871 -1.245 9.641) 13.160 16.064 ( -11.678 -0.969 -8.394) 14.414 30.417 ( 10.429 0.945 4.296) 11.319 30.505 ( 9.372 -0.226 -4.187) 10.267 34.108 ( -1.635 -0.659 3.367) 3.801 34.176 ( -2.500 -1.533 -3.147) 4.301 78.307 ( -12.913 9.127 5.055) 16.601 78.388 ( -15.340 8.218 -2.756) 17.619 ======================= Grid point 710 (222/240) ======================= q-point: ( 0.36 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 7.311 -3.692 4.050) 9.137 2.406 ( 3.136 -5.399 -5.973) 8.641 3.513 ( -4.411 10.413 10.367) 15.342 3.689 ( -7.504 9.738 -6.384) 13.853 5.280 ( 15.661 -9.209 2.887) 18.396 5.298 ( 15.327 -8.917 1.234) 17.775 7.059 ( -3.614 -4.172 4.564) 7.162 7.124 ( -3.393 -3.310 -1.634) 5.014 8.653 ( -1.463 -3.435 -0.903) 3.841 8.683 ( -1.820 -3.180 -3.775) 5.261 10.468 ( 8.891 4.139 6.242) 11.625 10.597 ( 7.102 5.181 -5.742) 10.500 12.033 ( 10.118 -0.878 3.828) 10.853 12.113 ( 6.528 1.705 -3.425) 7.567 12.624 ( -4.755 -0.690 -0.791) 4.870 12.677 ( -4.373 -1.043 -5.898) 7.416 15.732 ( -5.492 0.677 6.991) 8.916 15.855 ( -8.439 0.721 -5.150) 9.912 30.612 ( 8.215 1.024 3.130) 8.850 30.675 ( 6.871 0.121 -2.944) 7.476 34.081 ( -0.964 -1.140 2.595) 2.994 34.129 ( -2.013 -1.739 -2.034) 3.348 78.073 ( -9.514 5.233 3.438) 11.389 78.117 ( -10.801 4.687 -0.739) 11.798 ======================= Grid point 711 (223/240) ======================= q-point: ( 0.43 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 5.156 -3.133 0.958) 6.109 2.461 ( 2.125 -3.394 -1.663) 4.336 3.418 ( -3.829 7.104 7.026) 10.700 3.526 ( -7.174 6.870 -3.190) 10.433 5.531 ( 8.376 -9.648 2.510) 13.021 5.544 ( 8.110 -9.867 1.345) 12.842 7.008 ( -1.394 -6.269 4.241) 7.696 7.075 ( -1.473 -5.528 -2.014) 6.065 8.623 ( -1.128 -3.832 -0.947) 4.105 8.650 ( -1.213 -3.656 -3.482) 5.192 10.622 ( 5.773 6.483 4.869) 9.953 10.703 ( 3.054 6.593 -2.555) 7.703 12.176 ( 3.230 1.821 2.599) 4.528 12.206 ( 3.053 2.092 -1.125) 3.868 12.560 ( -1.022 -0.594 -2.076) 2.389 12.615 ( -1.955 -1.389 -7.499) 7.873 15.656 ( -1.967 2.125 4.249) 5.142 15.720 ( -4.722 2.024 -2.019) 5.520 30.747 ( 4.783 1.018 1.740) 5.191 30.781 ( 3.309 0.526 -1.503) 3.672 34.070 ( -0.176 -1.567 1.600) 2.247 34.095 ( -1.354 -1.873 -0.814) 2.450 77.923 ( -4.980 2.512 2.627) 6.165 77.949 ( -5.518 2.188 0.182) 5.939 ======================= Grid point 712 (224/240) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 0.000 -2.823 0.614) 2.889 2.495 ( 0.000 -2.310 -0.789) 2.441 3.379 ( 0.000 5.538 4.740) 7.289 3.440 ( 0.000 5.461 -1.064) 5.564 5.618 ( 0.000 -9.796 2.384) 10.082 5.627 ( -0.000 -9.863 1.479) 9.974 6.995 ( 0.000 -7.197 4.010) 8.238 7.060 ( 0.000 -6.396 -2.087) 6.728 8.611 ( 0.000 -3.944 -0.921) 4.050 8.637 ( 0.000 -3.751 -3.361) 5.036 10.689 ( -0.000 7.806 3.235) 8.450 10.728 ( 0.000 6.469 -0.161) 6.471 12.202 ( 0.000 2.543 2.838) 3.810 12.235 ( 0.000 2.701 -1.098) 2.916 12.567 ( 0.000 -1.200 -4.163) 4.332 12.586 ( -0.000 -1.042 -6.461) 6.544 15.643 ( -0.000 2.780 2.238) 3.569 15.665 ( 0.000 2.413 0.125) 2.416 30.801 ( 0.000 0.900 0.571) 1.066 30.811 ( 0.000 0.803 -0.318) 0.864 34.073 ( -0.000 -1.816 0.539) 1.894 34.075 ( 0.000 -1.840 0.327) 1.869 77.871 ( 0.000 1.527 2.374) 2.823 77.892 ( 0.000 1.302 0.451) 1.378 ======================= Grid point 720 (225/240) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 368 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.000 1.753 6.760) 6.984 2.069 ( 0.000 -8.454 -15.965) 18.065 2.072 ( 0.000 2.520 5.359) 5.922 2.183 ( 0.000 0.167 -5.306) 5.308 4.948 ( 0.000 12.513 10.047) 16.048 5.054 ( 0.000 7.611 -0.180) 7.613 7.500 ( 0.000 1.630 6.686) 6.882 7.587 ( 0.000 -1.154 -1.952) 2.267 7.867 ( 0.000 -0.048 4.232) 4.232 7.963 ( 0.000 -0.929 -5.026) 5.112 10.036 ( 0.000 -5.545 0.823) 5.606 10.164 ( 0.000 -9.298 -11.202) 14.559 11.324 ( 0.000 -0.044 3.768) 3.768 11.398 ( 0.000 -0.006 -3.386) 3.386 12.770 ( 0.000 -1.672 8.780) 8.938 12.969 ( 0.000 1.369 -9.836) 9.931 16.410 ( 0.000 -3.844 17.141) 17.567 16.763 ( 0.000 -3.413 -17.849) 18.173 29.797 ( 0.000 0.632 5.237) 5.275 29.903 ( 0.000 0.153 -4.970) 4.972 34.231 ( 0.000 -0.014 3.035) 3.035 34.310 ( 0.000 -0.957 -4.427) 4.529 79.539 ( 0.000 14.260 8.977) 16.850 79.741 ( 0.000 6.570 -10.751) 12.600 ======================= Grid point 721 (226/240) ======================= q-point: ( 0.07 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.387 1.798 6.227) 6.628 2.063 ( 0.287 -7.591 -14.738) 16.581 2.329 ( 22.753 2.120 5.442) 23.491 2.445 ( 22.930 -0.287 -5.681) 23.625 4.914 ( -3.231 11.680 9.522) 15.412 5.011 ( -4.088 7.164 0.150) 8.249 7.466 ( -3.026 1.517 6.669) 7.478 7.552 ( -3.103 -0.645 -1.892) 3.691 8.011 ( 12.847 -0.345 4.658) 13.670 8.118 ( 13.745 -0.598 -5.634) 14.867 10.006 ( -2.513 -4.658 0.876) 5.364 10.133 ( -2.521 -8.235 -11.106) 14.054 11.317 ( -0.053 -0.930 5.030) 5.116 11.418 ( 2.282 -0.611 -4.712) 5.271 12.797 ( 2.059 -1.506 7.813) 8.219 12.976 ( 0.391 1.321 -8.891) 8.997 16.357 ( -5.063 -3.621 16.491) 17.627 16.695 ( -6.450 -3.210 -17.043) 18.503 29.851 ( 5.206 0.620 5.126) 7.332 29.955 ( 4.972 0.067 -4.854) 6.949 34.219 ( -1.159 -0.023 3.024) 3.238 34.296 ( -1.318 -0.933 -4.286) 4.580 79.443 ( -9.101 13.607 8.367) 18.384 79.627 ( -10.771 6.615 -9.565) 15.851 ======================= Grid point 722 (227/240) ======================= q-point: ( 0.14 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 3.386 1.351 5.248) 6.390 2.083 ( 1.639 -7.034 -13.185) 15.033 2.900 ( 30.203 2.300 6.354) 30.950 3.026 ( 31.289 0.335 -5.846) 31.832 4.827 ( -4.838 8.829 7.954) 12.831 4.898 ( -6.472 5.680 1.071) 8.677 7.382 ( -5.169 0.774 6.698) 8.496 7.466 ( -5.179 -0.113 -1.806) 5.486 8.322 ( 15.225 -0.332 5.147) 16.075 8.445 ( 15.504 0.382 -6.810) 16.938 9.969 ( 0.103 -2.871 1.431) 3.209 10.099 ( 0.564 -5.941 -10.858) 12.390 11.353 ( 4.214 -2.296 7.305) 8.741 11.507 ( 6.596 -1.559 -7.410) 10.042 12.827 ( 0.254 -1.222 6.008) 6.136 12.968 ( -1.492 1.176 -7.051) 7.302 16.214 ( -8.394 -2.958 14.768) 17.242 16.513 ( -10.760 -2.655 -14.852) 18.531 30.002 ( 9.102 0.609 4.784) 10.301 30.098 ( 8.607 -0.111 -4.478) 9.703 34.186 ( -1.975 -0.068 2.966) 3.564 34.258 ( -2.292 -0.899 -3.890) 4.604 79.184 ( -15.533 11.763 6.833) 20.648 79.323 ( -17.993 6.447 -6.718) 20.259 ======================= Grid point 723 (228/240) ======================= q-point: ( 0.21 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 5.356 0.528 4.071) 6.748 2.132 ( 3.190 -6.198 -10.672) 12.746 3.477 ( 23.565 4.586 8.826) 25.578 3.643 ( 26.275 2.632 -7.224) 27.377 4.737 ( -3.129 2.027 6.172) 7.211 4.782 ( -2.852 2.887 1.696) 4.398 7.258 ( -6.715 -0.352 6.738) 9.519 7.343 ( -6.595 0.116 -1.856) 6.852 8.560 ( 6.965 -0.608 3.729) 7.924 8.666 ( 5.166 0.415 -6.773) 8.529 10.055 ( 8.584 -1.084 3.292) 9.257 10.203 ( 9.733 -2.712 -10.592) 14.638 11.500 ( 9.956 -2.632 8.699) 13.480 11.689 ( 10.817 -1.585 -9.361) 14.393 12.796 ( -3.200 -1.022 4.335) 5.484 12.907 ( -4.441 0.940 -5.696) 7.283 16.030 ( -9.033 -1.925 12.445) 15.498 16.275 ( -11.880 -1.835 -11.801) 16.845 30.211 ( 10.907 0.634 4.203) 11.706 30.295 ( 10.160 -0.226 -3.817) 10.856 34.142 ( -2.256 -0.189 2.799) 3.600 34.205 ( -2.741 -0.923 -3.285) 4.377 78.832 ( -17.972 9.084 5.015) 20.752 78.921 ( -20.237 5.607 -3.628) 21.310 ======================= Grid point 724 (229/240) ======================= q-point: ( 0.29 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 6.801 -0.424 2.928) 7.417 2.213 ( 4.516 -5.010 -7.551) 10.125 3.774 ( 4.277 8.778 11.457) 15.054 3.973 ( 3.320 7.394 -7.600) 11.111 4.790 ( 10.797 -6.051 6.034) 13.769 4.858 ( 10.402 -3.706 -0.475) 11.052 7.115 ( -6.802 -1.380 6.590) 9.570 7.203 ( -6.863 -0.342 -2.008) 7.159 8.619 ( -0.248 -1.647 1.110) 2.001 8.685 ( -2.004 -0.776 -5.480) 5.887 10.288 ( 12.740 0.832 5.616) 13.948 10.451 ( 12.654 0.623 -9.513) 15.844 11.747 ( 13.444 -1.843 8.023) 15.764 11.930 ( 11.860 -0.539 -9.174) 15.004 12.706 ( -5.171 -0.917 2.597) 5.859 12.795 ( -6.153 0.625 -5.297) 8.143 15.860 ( -7.172 -0.721 9.849) 12.205 16.044 ( -10.189 -0.809 -8.402) 13.231 30.435 ( 10.500 0.686 3.414) 11.063 30.501 ( 9.567 -0.188 -2.921) 10.004 34.097 ( -2.007 -0.401 2.458) 3.199 34.149 ( -2.663 -1.019 -2.510) 3.799 78.470 ( -16.622 6.128 3.476) 18.054 78.520 ( -18.169 4.097 -1.297) 18.671 ======================= Grid point 725 (230/240) ======================= q-point: ( 0.36 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 630 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 7.110 -1.324 1.983) 7.499 2.312 ( 5.010 -3.380 -4.205) 7.362 3.717 ( -7.183 8.350 10.079) 14.930 3.865 ( -10.141 6.459 -3.830) 12.619 5.097 ( 15.489 -7.274 3.133) 17.396 5.132 ( 13.816 -6.524 -0.055) 15.279 6.990 ( -5.100 -2.235 5.883) 8.100 7.071 ( -5.682 -1.721 -1.943) 6.247 8.590 ( -1.937 -2.344 -0.409) 3.068 8.628 ( -2.860 -1.954 -4.224) 5.463 10.539 ( 11.020 2.458 6.255) 12.907 10.678 ( 8.909 2.513 -6.497) 11.309 12.018 ( 11.997 -0.487 5.226) 13.095 12.144 ( 8.333 1.164 -6.241) 10.476 12.603 ( -4.345 -0.970 0.353) 4.466 12.672 ( -5.296 0.185 -5.875) 7.912 15.744 ( -4.028 0.424 7.068) 8.147 15.865 ( -7.046 0.293 -5.008) 8.649 30.630 ( 8.238 0.718 2.477) 8.633 30.676 ( 7.200 -0.007 -1.887) 7.443 34.062 ( -1.360 -0.676 1.915) 2.444 34.098 ( -2.164 -1.135 -1.609) 2.925 78.167 ( -12.486 3.508 2.484) 13.205 78.193 ( -13.280 2.387 0.020) 13.493 ======================= Grid point 726 (231/240) ======================= q-point: ( 0.43 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 632 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 5.169 -1.861 1.415) 5.673 2.408 ( 3.870 -1.727 -1.295) 4.431 3.562 ( -6.391 6.008 7.203) 11.350 3.650 ( -9.288 4.447 -1.051) 10.351 5.352 ( 8.661 -6.782 1.924) 11.167 5.364 ( 7.954 -6.734 0.930) 10.463 6.912 ( -2.439 -2.763 4.720) 5.988 6.978 ( -3.218 -3.561 -1.508) 5.031 8.555 ( -1.233 -2.416 -0.900) 2.857 8.581 ( -1.618 -2.723 -3.349) 4.610 10.727 ( 7.031 3.425 4.920) 9.240 10.807 ( 3.560 3.300 -2.317) 5.379 12.209 ( 5.894 1.261 2.350) 6.470 12.259 ( 3.108 2.451 -2.324) 4.590 12.542 ( -1.296 -1.022 -2.037) 2.622 12.592 ( -2.482 -0.710 -6.934) 7.399 15.693 ( -1.031 1.305 4.202) 4.519 15.754 ( -3.906 1.163 -1.830) 4.467 30.765 ( 4.699 0.679 1.457) 4.966 30.789 ( 3.632 0.238 -0.806) 3.728 34.043 ( -0.489 -0.944 1.186) 1.593 34.061 ( -1.385 -1.193 -0.644) 1.938 77.969 ( -6.635 1.728 2.006) 7.144 77.984 ( -6.931 1.067 0.567) 7.035 ======================= Grid point 727 (232/240) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -0.000 -1.278 1.410) 1.903 2.452 ( 0.000 -1.671 -0.157) 1.678 3.495 ( 0.000 5.046 4.969) 7.082 3.540 ( -0.000 3.482 0.779) 3.568 5.442 ( 0.000 -6.467 1.742) 6.698 5.447 ( -0.000 -6.734 1.210) 6.842 6.888 ( 0.000 -2.828 4.064) 4.951 6.944 ( 0.000 -4.560 -1.180) 4.710 8.542 ( 0.000 -2.345 -0.994) 2.547 8.564 ( 0.000 -2.989 -3.013) 4.244 10.815 ( -0.000 4.093 2.393) 4.741 10.828 ( 0.000 3.147 1.318) 3.412 12.261 ( 0.000 2.849 1.848) 3.396 12.291 ( 0.000 2.192 -1.510) 2.662 12.542 ( 0.000 -0.982 -4.090) 4.207 12.561 ( -0.000 -1.309 -6.176) 6.313 15.692 ( -0.000 1.850 1.813) 2.590 15.705 ( 0.000 1.295 0.642) 1.445 30.817 ( 0.000 0.622 0.607) 0.870 30.823 ( 0.000 0.379 0.063) 0.384 34.042 ( -0.000 -1.103 0.376) 1.165 34.043 ( 0.000 -1.160 0.248) 1.187 77.900 ( 0.000 1.100 1.869) 2.169 77.912 ( 0.000 0.576 0.705) 0.910 ======================= Grid point 735 (233/240) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 0.000 -5.674) 5.674 1.916 ( 0.000 -0.000 -6.472) 6.472 2.101 ( 0.000 0.000 3.820) 3.820 2.183 ( 0.000 0.000 -4.092) 4.092 5.105 ( 0.000 -0.000 5.580) 5.580 5.115 ( 0.000 0.000 4.502) 4.502 7.527 ( 0.000 0.000 5.246) 5.246 7.569 ( 0.000 -0.000 0.574) 0.574 7.867 ( 0.000 0.000 3.649) 3.649 7.953 ( 0.000 0.000 -4.650) 4.650 9.985 ( 0.000 0.000 -3.300) 3.300 10.047 ( 0.000 -0.000 -9.666) 9.666 11.323 ( 0.000 0.000 3.840) 3.840 11.398 ( 0.000 0.000 -3.346) 3.346 12.754 ( 0.000 0.000 10.696) 10.696 12.985 ( 0.000 0.000 -11.089) 11.089 16.370 ( 0.000 0.000 17.277) 17.277 16.726 ( 0.000 0.000 -18.067) 18.067 29.803 ( 0.000 0.000 4.992) 4.992 29.904 ( 0.000 0.000 -4.703) 4.703 34.231 ( 0.000 0.000 2.536) 2.536 34.299 ( 0.000 0.000 -4.002) 4.002 79.716 ( 0.000 0.000 2.942) 2.942 79.786 ( 0.000 -0.000 -4.046) 4.046 ======================= Grid point 737 (234/240) ======================= q-point: ( 0.07 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 1.072 0.000 -5.462) 5.567 1.921 ( 0.803 -0.000 -5.923) 5.977 2.354 ( 22.557 0.000 4.043) 22.917 2.441 ( 23.016 0.000 -4.355) 23.425 5.058 ( -4.478 -0.000 5.577) 7.152 5.070 ( -4.226 0.000 4.285) 6.019 7.490 ( -3.441 0.000 5.582) 6.557 7.539 ( -2.690 -0.000 0.153) 2.694 8.009 ( 12.769 0.000 4.496) 13.537 8.112 ( 14.210 0.000 -5.459) 15.223 9.964 ( -1.699 0.000 -3.066) 3.505 10.029 ( -1.381 -0.000 -9.685) 9.783 11.307 ( -0.854 0.000 5.251) 5.320 11.411 ( 1.709 0.000 -4.831) 5.124 12.782 ( 2.203 0.000 9.599) 9.848 12.991 ( 0.339 0.000 -10.061) 10.067 16.318 ( -4.837 0.000 16.628) 17.317 16.660 ( -6.247 0.000 -17.249) 18.346 29.858 ( 5.198 0.000 4.851) 7.111 29.956 ( 4.892 0.000 -4.538) 6.673 34.219 ( -1.168 0.000 2.535) 2.791 34.286 ( -1.299 0.000 -3.878) 4.090 79.611 ( -9.935 0.000 2.824) 10.329 79.674 ( -10.578 -0.000 -3.468) 11.132 ======================= Grid point 739 (235/240) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 2.309 0.000 -4.885) 5.403 1.956 ( 2.731 -0.000 -5.087) 5.774 2.925 ( 30.605 0.000 5.158) 31.037 3.028 ( 31.841 0.000 -4.865) 32.210 4.929 ( -7.786 -0.000 5.815) 9.718 4.953 ( -6.816 0.000 3.396) 7.615 7.393 ( -5.887 0.000 6.393) 8.691 7.461 ( -4.846 0.000 -0.784) 4.909 8.320 ( 15.277 0.000 5.691) 16.303 8.450 ( 15.949 0.000 -6.964) 17.403 9.945 ( 0.956 0.000 -2.011) 2.227 10.024 ( 2.238 -0.000 -9.730) 9.984 11.328 ( 3.673 0.000 7.727) 8.555 11.489 ( 6.234 0.000 -7.762) 9.955 12.815 ( 0.379 0.000 7.532) 7.541 12.982 ( -1.598 0.000 -8.056) 8.213 16.183 ( -7.949 0.000 14.877) 16.868 16.484 ( -10.399 0.000 -14.998) 18.251 30.008 ( 9.109 0.000 4.439) 10.133 30.097 ( 8.517 0.000 -4.052) 9.432 34.185 ( -2.011 0.000 2.501) 3.209 34.248 ( -2.289 0.000 -3.517) 4.196 79.328 ( -16.996 0.000 2.493) 17.178 79.373 ( -17.961 -0.000 -2.068) 18.080 ======================= Grid point 741 (236/240) ======================= q-point: ( 0.21 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.989 0.000 -3.329) 5.196 2.032 ( 4.581 -0.000 -4.536) 6.447 3.526 ( 25.696 0.000 7.629) 26.804 3.669 ( 28.377 0.000 -6.239) 29.055 4.758 ( -7.834 0.000 6.990) 10.499 4.816 ( -5.295 0.000 1.158) 5.420 7.254 ( -7.350 0.000 7.203) 10.291 7.343 ( -6.535 0.000 -1.778) 6.773 8.555 ( 6.492 0.000 4.472) 7.883 8.672 ( 4.713 0.000 -7.139) 8.554 10.048 ( 9.374 0.000 1.205) 9.451 10.170 ( 11.948 0.000 -10.291) 15.769 11.471 ( 10.120 0.000 9.265) 13.720 11.670 ( 11.099 0.000 -9.866) 14.850 12.786 ( -3.128 0.000 5.581) 6.398 12.918 ( -4.599 0.000 -6.532) 7.989 16.010 ( -8.433 0.000 12.480) 15.063 16.254 ( -11.393 0.000 -11.825) 16.420 30.218 ( 10.935 0.000 3.795) 11.575 30.292 ( 10.131 0.000 -3.292) 10.652 34.140 ( -2.339 0.000 2.367) 3.328 34.195 ( -2.777 0.000 -2.951) 4.053 78.942 ( -19.725 0.000 2.042) 19.831 78.968 ( -20.619 -0.000 -0.545) 20.626 ======================= Grid point 743 (237/240) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 5.472 0.000 -1.378) 5.643 2.142 ( 6.059 -0.000 -3.804) 7.154 3.874 ( 5.973 0.000 10.635) 12.198 4.055 ( 4.777 0.000 -6.591) 8.140 4.719 ( 8.040 -0.000 7.393) 10.923 4.815 ( 7.010 0.000 -1.795) 7.236 7.101 ( -7.276 0.000 7.409) 10.384 7.199 ( -7.295 0.000 -2.314) 7.653 8.601 ( -0.829 0.000 1.625) 1.825 8.677 ( -2.726 0.000 -5.954) 6.549 10.298 ( 13.655 0.000 4.835) 14.486 10.456 ( 14.083 0.000 -9.748) 17.128 11.727 ( 14.101 0.000 8.638) 16.536 11.922 ( 12.664 0.000 -9.872) 16.057 12.697 ( -5.173 0.000 3.621) 6.314 12.802 ( -6.340 0.000 -5.939) 8.687 15.852 ( -6.544 0.000 9.818) 11.799 16.035 ( -9.609 0.000 -8.319) 12.710 30.443 ( 10.530 0.000 2.999) 10.949 30.499 ( 9.622 0.000 -2.368) 9.909 34.093 ( -2.136 0.000 2.077) 2.979 34.137 ( -2.726 0.000 -2.226) 3.519 78.545 ( -18.294 0.000 1.609) 18.365 78.555 ( -18.879 -0.000 0.568) 18.887 ======================= Grid point 745 (238/240) ======================= q-point: ( 0.36 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 6.208 0.000 0.554) 6.233 2.273 ( 6.397 -0.000 -2.754) 6.965 3.816 ( -8.423 0.000 9.272) 12.527 3.934 ( -11.491 0.000 -1.719) 11.619 5.014 ( 15.852 -0.000 2.944) 16.123 5.057 ( 13.507 0.000 -0.807) 13.531 6.967 ( -5.414 0.000 6.453) 8.423 7.053 ( -6.631 0.000 -1.935) 6.908 8.564 ( -2.101 0.000 -0.257) 2.116 8.606 ( -3.432 0.000 -4.505) 5.664 10.565 ( 11.653 0.000 5.978) 13.097 10.704 ( 9.538 0.000 -6.571) 11.582 12.013 ( 12.795 0.000 5.786) 14.043 12.157 ( 9.386 0.000 -7.389) 11.945 12.592 ( -4.512 0.000 1.330) 4.704 12.675 ( -5.600 0.000 -6.253) 8.395 15.748 ( -3.484 0.000 7.019) 7.836 15.868 ( -6.488 0.000 -4.912) 8.137 30.639 ( 8.237 0.000 2.141) 8.511 30.675 ( 7.318 0.000 -1.403) 7.451 34.055 ( -1.510 0.000 1.615) 2.211 34.086 ( -2.214 0.000 -1.403) 2.621 78.211 ( -13.768 0.000 1.319) 13.831 78.213 ( -14.015 -0.000 1.131) 14.061 ======================= Grid point 747 (239/240) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 5.221 0.000 1.693) 5.489 2.389 ( 4.357 0.000 -1.100) 4.493 3.634 ( -7.459 0.000 6.569) 9.939 3.696 ( -10.173 0.000 0.765) 10.202 5.277 ( 8.936 0.000 1.522) 9.065 5.289 ( 8.072 0.000 0.546) 8.091 6.887 ( -2.244 0.000 4.343) 4.889 6.937 ( -4.433 0.000 -0.494) 4.461 8.530 ( -1.044 0.000 -1.260) 1.636 8.549 ( -2.045 0.000 -3.141) 3.748 10.763 ( 7.312 0.000 4.828) 8.762 10.841 ( 3.795 0.000 -2.161) 4.368 12.223 ( 7.131 0.000 2.544) 7.571 12.288 ( 3.314 0.000 -3.088) 4.529 12.529 ( -1.307 0.000 -1.652) 2.107 12.585 ( -3.101 0.000 -6.939) 7.601 15.707 ( -0.672 0.000 4.129) 4.183 15.766 ( -3.576 0.000 -1.756) 3.984 30.773 ( 4.654 0.000 1.277) 4.825 30.791 ( 3.759 0.000 -0.471) 3.788 34.032 ( -0.616 0.000 1.000) 1.175 34.048 ( -1.384 0.000 -0.552) 1.490 77.991 ( -7.361 0.000 1.280) 7.472 77.992 ( -7.349 -0.000 1.212) 7.448 ======================= Grid point 749 (240/240) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -0.609 -0.368 0.979) 1.210 2.428 ( 0.609 0.368 0.979) 1.210 3.566 ( -0.899 -1.026 3.399) 3.663 3.566 ( 0.899 1.026 3.399) 3.663 5.371 ( -0.155 -0.062 1.121) 1.134 5.371 ( 0.155 0.062 1.121) 1.134 6.877 ( -0.465 -1.482 1.769) 2.354 6.877 ( 0.465 1.482 1.769) 2.354 8.523 ( -0.149 -0.589 -2.076) 2.163 8.523 ( 0.149 0.589 -2.076) 2.163 10.860 ( -1.943 -0.048 1.952) 2.754 10.860 ( 1.943 0.048 1.952) 2.754 12.305 ( -0.761 -0.818 0.219) 1.138 12.305 ( 0.761 0.818 0.219) 1.139 12.538 ( -1.300 -0.406 -5.305) 5.477 12.538 ( 1.300 0.406 -5.305) 5.477 15.716 ( -1.314 -0.118 1.215) 1.793 15.716 ( 1.314 0.118 1.215) 1.793 30.826 ( -0.364 -0.084 0.414) 0.558 30.826 ( 0.364 0.084 0.414) 0.558 34.030 ( -0.388 -0.006 0.266) 0.470 34.030 ( 0.388 0.006 0.266) 0.470 77.915 ( -0.002 -0.316 1.241) 1.281 77.915 ( 0.002 0.316 1.241) 1.281 =================== 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 3/30240 10.0 1834.707 1708.120 2212.394 0.000 0.000 0.000 3/30240 20.0 568.789 522.772 487.441 0.000 0.000 0.000 3/30240 30.0 348.061 256.853 264.039 0.000 0.000 0.000 3/30240 40.0 258.688 164.377 179.734 0.000 0.000 0.000 3/30240 50.0 201.690 116.851 131.945 0.000 0.000 0.000 3/30240 60.0 159.971 87.788 100.890 0.000 0.000 0.000 3/30240 70.0 128.674 68.397 79.453 0.000 0.000 0.000 3/30240 80.0 105.152 54.824 64.159 0.000 0.000 0.000 3/30240 90.0 87.405 45.020 52.983 0.000 0.000 0.000 3/30240 100.0 73.891 37.758 44.641 0.000 0.000 0.000 3/30240 110.0 63.467 32.256 38.286 0.000 0.000 0.000 3/30240 120.0 55.305 28.001 33.352 0.000 0.000 0.000 3/30240 130.0 48.817 24.648 29.451 0.000 0.000 0.000 3/30240 140.0 43.582 21.959 26.314 0.000 0.000 0.000 3/30240 150.0 39.296 19.768 23.753 0.000 0.000 0.000 3/30240 160.0 35.741 17.957 21.630 0.000 0.000 0.000 3/30240 170.0 32.756 16.440 19.849 0.000 0.000 0.000 3/30240 180.0 30.220 15.154 18.337 0.000 0.000 0.000 3/30240 190.0 28.046 14.053 17.040 0.000 0.000 0.000 3/30240 200.0 26.162 13.101 15.916 0.000 0.000 0.000 3/30240 210.0 24.517 12.270 14.933 0.000 0.000 0.000 3/30240 220.0 23.070 11.539 14.068 0.000 0.000 0.000 3/30240 230.0 21.787 10.891 13.300 0.000 0.000 0.000 3/30240 240.0 20.643 10.314 12.614 0.000 0.000 0.000 3/30240 250.0 19.616 9.796 11.998 0.000 0.000 0.000 3/30240 260.0 18.690 9.329 11.441 0.000 0.000 0.000 3/30240 270.0 17.850 8.906 10.936 0.000 0.000 0.000 3/30240 280.0 17.086 8.520 10.475 0.000 0.000 0.000 3/30240 290.0 16.387 8.168 10.053 0.000 0.000 0.000 3/30240 300.0 15.745 7.844 9.665 0.000 0.000 0.000 3/30240 310.0 15.154 7.546 9.308 0.000 0.000 0.000 3/30240 320.0 14.608 7.271 8.976 0.000 0.000 0.000 3/30240 330.0 14.101 7.015 8.669 0.000 0.000 0.000 3/30240 340.0 13.630 6.778 8.383 0.000 0.000 0.000 3/30240 350.0 13.191 6.556 8.116 0.000 0.000 0.000 3/30240 360.0 12.781 6.349 7.866 0.000 0.000 0.000 3/30240 370.0 12.396 6.155 7.632 0.000 0.000 0.000 3/30240 380.0 12.036 5.973 7.411 0.000 0.000 0.000 3/30240 390.0 11.696 5.802 7.204 0.000 0.000 0.000 3/30240 400.0 11.376 5.641 7.008 0.000 0.000 0.000 3/30240 410.0 11.074 5.488 6.824 0.000 0.000 0.000 3/30240 420.0 10.789 5.344 6.649 0.000 0.000 0.000 3/30240 430.0 10.518 5.208 6.483 0.000 0.000 0.000 3/30240 440.0 10.261 5.078 6.325 0.000 0.000 0.000 3/30240 450.0 10.017 4.955 6.175 0.000 0.000 0.000 3/30240 460.0 9.785 4.838 6.032 0.000 0.000 0.000 3/30240 470.0 9.564 4.726 5.896 0.000 0.000 0.000 3/30240 480.0 9.353 4.620 5.766 0.000 0.000 0.000 3/30240 490.0 9.151 4.518 5.642 0.000 0.000 0.000 3/30240 500.0 8.959 4.421 5.524 0.000 0.000 0.000 3/30240 510.0 8.774 4.328 5.410 0.000 0.000 0.000 3/30240 520.0 8.598 4.239 5.301 0.000 0.000 0.000 3/30240 530.0 8.428 4.153 5.196 0.000 0.000 0.000 3/30240 540.0 8.266 4.071 5.096 0.000 0.000 0.000 3/30240 550.0 8.110 3.993 4.999 0.000 0.000 0.000 3/30240 560.0 7.959 3.917 4.906 0.000 0.000 0.000 3/30240 570.0 7.815 3.844 4.817 0.000 0.000 0.000 3/30240 580.0 7.676 3.774 4.731 0.000 0.000 0.000 3/30240 590.0 7.542 3.706 4.648 0.000 0.000 0.000 3/30240 600.0 7.412 3.641 4.568 0.000 0.000 0.000 3/30240 610.0 7.287 3.578 4.490 0.000 0.000 0.000 3/30240 620.0 7.167 3.517 4.416 0.000 0.000 0.000 3/30240 630.0 7.050 3.459 4.343 0.000 0.000 0.000 3/30240 640.0 6.938 3.402 4.274 0.000 0.000 0.000 3/30240 650.0 6.829 3.347 4.206 0.000 0.000 0.000 3/30240 660.0 6.723 3.294 4.140 0.000 0.000 0.000 3/30240 670.0 6.621 3.243 4.077 0.000 0.000 0.000 3/30240 680.0 6.522 3.193 4.016 0.000 0.000 0.000 3/30240 690.0 6.426 3.144 3.956 0.000 0.000 0.000 3/30240 700.0 6.332 3.097 3.898 0.000 0.000 0.000 3/30240 710.0 6.242 3.052 3.842 0.000 0.000 0.000 3/30240 720.0 6.154 3.008 3.787 0.000 0.000 0.000 3/30240 730.0 6.069 2.965 3.734 0.000 0.000 0.000 3/30240 740.0 5.986 2.923 3.683 0.000 0.000 0.000 3/30240 750.0 5.905 2.883 3.633 0.000 0.000 0.000 3/30240 760.0 5.827 2.843 3.584 0.000 0.000 0.000 3/30240 770.0 5.751 2.805 3.536 0.000 0.000 0.000 3/30240 780.0 5.676 2.768 3.490 0.000 0.000 0.000 3/30240 790.0 5.604 2.731 3.445 0.000 0.000 0.000 3/30240 800.0 5.534 2.696 3.401 0.000 0.000 0.000 3/30240 810.0 5.465 2.662 3.359 0.000 0.000 0.000 3/30240 820.0 5.398 2.628 3.317 0.000 0.000 0.000 3/30240 830.0 5.333 2.595 3.276 0.000 0.000 0.000 3/30240 840.0 5.269 2.563 3.237 0.000 0.000 0.000 3/30240 850.0 5.207 2.532 3.198 0.000 0.000 0.000 3/30240 860.0 5.146 2.502 3.160 0.000 0.000 0.000 3/30240 870.0 5.087 2.472 3.123 0.000 0.000 0.000 3/30240 880.0 5.029 2.443 3.087 0.000 0.000 0.000 3/30240 890.0 4.972 2.415 3.052 0.000 0.000 0.000 3/30240 900.0 4.917 2.387 3.018 0.000 0.000 0.000 3/30240 910.0 4.863 2.360 2.984 0.000 0.000 0.000 3/30240 920.0 4.810 2.334 2.951 0.000 0.000 0.000 3/30240 930.0 4.759 2.308 2.919 0.000 0.000 0.000 3/30240 940.0 4.708 2.283 2.888 0.000 0.000 0.000 3/30240 950.0 4.659 2.258 2.857 0.000 0.000 0.000 3/30240 960.0 4.610 2.234 2.827 0.000 0.000 0.000 3/30240 970.0 4.563 2.210 2.797 0.000 0.000 0.000 3/30240 980.0 4.517 2.187 2.769 0.000 0.000 0.000 3/30240 990.0 4.471 2.165 2.740 0.000 0.000 0.000 3/30240 1000.0 4.427 2.142 2.713 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m14109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:27:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|