----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 3.472534840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.781674610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.413285910000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.72433490434535 0.98390795248078 88.906 2 Y 0.50000000000000 0.27566509565465 0.48390795248078 88.906 *3 H 0.50000000000000 0.19665693954409 0.96536701505097 1.008 4 H 0.00000000000000 0.80334306045591 0.46536701505097 1.008 *5 O 0.50000000000000 0.01946385143900 0.85565949607281 15.999 *6 O 0.00000000000000 0.52270693699474 0.61784252639544 15.999 7 O 0.00000000000000 0.98053614856100 0.35565949607281 15.999 8 O 0.50000000000000 0.47729306300526 0.11784252639544 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.472534840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.781674610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.413285910000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.72433490434535 0.98390795248078 88.906 > 1 2 Y 0.50000000000000 0.27566509565465 0.48390795248078 88.906 > 2 *3 H 0.50000000000000 0.19665693954409 0.96536701505097 1.008 > 3 4 H 0.00000000000000 0.80334306045591 0.46536701505097 1.008 > 4 *5 O 0.50000000000000 0.01946385143900 0.85565949607281 15.999 > 5 *6 O 0.00000000000000 0.52270693699474 0.61784252639544 15.999 > 6 7 O 0.00000000000000 0.98053614856100 0.35565949607281 15.999 > 7 8 O 0.50000000000000 0.47729306300526 0.11784252639544 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.417604519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.345023829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.826571820000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.24144496811512 0.49195397624039 88.906 > 1 2 Y 0.33333333333333 0.24144496811512 0.49195397624039 88.906 > 1 3 Y 0.66666666666667 0.24144496811512 0.49195397624039 88.906 > 1 4 Y 0.00000000000000 0.57477830144845 0.49195397624039 88.906 > 1 5 Y 0.33333333333333 0.57477830144845 0.49195397624039 88.906 > 1 6 Y 0.66666666666667 0.57477830144845 0.49195397624039 88.906 > 1 7 Y 0.00000000000000 0.90811163478178 0.49195397624039 88.906 > 1 8 Y 0.33333333333333 0.90811163478178 0.49195397624039 88.906 > 1 9 Y 0.66666666666667 0.90811163478178 0.49195397624039 88.906 > 1 10 Y 0.00000000000000 0.24144496811512 0.99195397624039 88.906 > 1 11 Y 0.33333333333333 0.24144496811512 0.99195397624039 88.906 > 1 12 Y 0.66666666666667 0.24144496811512 0.99195397624039 88.906 > 1 13 Y 0.00000000000000 0.57477830144845 0.99195397624039 88.906 > 1 14 Y 0.33333333333333 0.57477830144845 0.99195397624039 88.906 > 1 15 Y 0.66666666666667 0.57477830144845 0.99195397624039 88.906 > 1 16 Y 0.00000000000000 0.90811163478178 0.99195397624039 88.906 > 1 17 Y 0.33333333333333 0.90811163478178 0.99195397624039 88.906 > 1 18 Y 0.66666666666667 0.90811163478178 0.99195397624039 88.906 > 1 19 Y 0.16666666666667 0.09188836521822 0.24195397624039 88.906 > 2 20 Y 0.50000000000000 0.09188836521822 0.24195397624039 88.906 > 2 21 Y 0.83333333333333 0.09188836521822 0.24195397624039 88.906 > 2 22 Y 0.16666666666667 0.42522169855155 0.24195397624039 88.906 > 2 23 Y 0.50000000000000 0.42522169855155 0.24195397624039 88.906 > 2 24 Y 0.83333333333333 0.42522169855155 0.24195397624039 88.906 > 2 25 Y 0.16666666666667 0.75855503188488 0.24195397624039 88.906 > 2 26 Y 0.50000000000000 0.75855503188488 0.24195397624039 88.906 > 2 27 Y 0.83333333333333 0.75855503188488 0.24195397624039 88.906 > 2 28 Y 0.16666666666667 0.09188836521822 0.74195397624039 88.906 > 2 29 Y 0.50000000000000 0.09188836521822 0.74195397624039 88.906 > 2 30 Y 0.83333333333333 0.09188836521822 0.74195397624039 88.906 > 2 31 Y 0.16666666666667 0.42522169855155 0.74195397624039 88.906 > 2 32 Y 0.50000000000000 0.42522169855155 0.74195397624039 88.906 > 2 33 Y 0.83333333333333 0.42522169855155 0.74195397624039 88.906 > 2 34 Y 0.16666666666667 0.75855503188488 0.74195397624039 88.906 > 2 35 Y 0.50000000000000 0.75855503188488 0.74195397624039 88.906 > 2 36 Y 0.83333333333333 0.75855503188488 0.74195397624039 88.906 > 2 *37 H 0.16666666666667 0.06555231318136 0.48268350752549 1.008 > 3 38 H 0.50000000000000 0.06555231318136 0.48268350752549 1.008 > 3 39 H 0.83333333333333 0.06555231318136 0.48268350752549 1.008 > 3 40 H 0.16666666666667 0.39888564651470 0.48268350752549 1.008 > 3 41 H 0.50000000000000 0.39888564651470 0.48268350752549 1.008 > 3 42 H 0.83333333333333 0.39888564651470 0.48268350752549 1.008 > 3 43 H 0.16666666666667 0.73221897984803 0.48268350752549 1.008 > 3 44 H 0.50000000000000 0.73221897984803 0.48268350752549 1.008 > 3 45 H 0.83333333333333 0.73221897984803 0.48268350752549 1.008 > 3 46 H 0.16666666666667 0.06555231318136 0.98268350752549 1.008 > 3 47 H 0.50000000000000 0.06555231318136 0.98268350752549 1.008 > 3 48 H 0.83333333333333 0.06555231318136 0.98268350752549 1.008 > 3 49 H 0.16666666666667 0.39888564651470 0.98268350752549 1.008 > 3 50 H 0.50000000000000 0.39888564651470 0.98268350752549 1.008 > 3 51 H 0.83333333333333 0.39888564651470 0.98268350752549 1.008 > 3 52 H 0.16666666666667 0.73221897984803 0.98268350752549 1.008 > 3 53 H 0.50000000000000 0.73221897984803 0.98268350752549 1.008 > 3 54 H 0.83333333333333 0.73221897984803 0.98268350752549 1.008 > 3 55 H 0.00000000000000 0.26778102015197 0.23268350752549 1.008 > 4 56 H 0.33333333333333 0.26778102015197 0.23268350752549 1.008 > 4 57 H 0.66666666666667 0.26778102015197 0.23268350752549 1.008 > 4 58 H 0.00000000000000 0.60111435348530 0.23268350752549 1.008 > 4 59 H 0.33333333333333 0.60111435348530 0.23268350752549 1.008 > 4 60 H 0.66666666666667 0.60111435348530 0.23268350752549 1.008 > 4 61 H 0.00000000000000 0.93444768681864 0.23268350752549 1.008 > 4 62 H 0.33333333333333 0.93444768681864 0.23268350752549 1.008 > 4 63 H 0.66666666666667 0.93444768681864 0.23268350752549 1.008 > 4 64 H 0.00000000000000 0.26778102015197 0.73268350752549 1.008 > 4 65 H 0.33333333333333 0.26778102015197 0.73268350752549 1.008 > 4 66 H 0.66666666666667 0.26778102015197 0.73268350752549 1.008 > 4 67 H 0.00000000000000 0.60111435348530 0.73268350752549 1.008 > 4 68 H 0.33333333333333 0.60111435348530 0.73268350752549 1.008 > 4 69 H 0.66666666666667 0.60111435348530 0.73268350752549 1.008 > 4 70 H 0.00000000000000 0.93444768681864 0.73268350752549 1.008 > 4 71 H 0.33333333333333 0.93444768681864 0.73268350752549 1.008 > 4 72 H 0.66666666666667 0.93444768681864 0.73268350752549 1.008 > 4 *73 O 0.16666666666667 0.00648795047967 0.42782974803641 15.999 > 5 74 O 0.50000000000000 0.00648795047967 0.42782974803641 15.999 > 5 75 O 0.83333333333333 0.00648795047967 0.42782974803641 15.999 > 5 76 O 0.16666666666667 0.33982128381300 0.42782974803641 15.999 > 5 77 O 0.50000000000000 0.33982128381300 0.42782974803641 15.999 > 5 78 O 0.83333333333333 0.33982128381300 0.42782974803641 15.999 > 5 79 O 0.16666666666667 0.67315461714633 0.42782974803641 15.999 > 5 80 O 0.50000000000000 0.67315461714633 0.42782974803641 15.999 > 5 81 O 0.83333333333333 0.67315461714633 0.42782974803641 15.999 > 5 82 O 0.16666666666667 0.00648795047967 0.92782974803641 15.999 > 5 83 O 0.50000000000000 0.00648795047967 0.92782974803641 15.999 > 5 84 O 0.83333333333333 0.00648795047967 0.92782974803641 15.999 > 5 85 O 0.16666666666667 0.33982128381300 0.92782974803641 15.999 > 5 86 O 0.50000000000000 0.33982128381300 0.92782974803641 15.999 > 5 87 O 0.83333333333333 0.33982128381300 0.92782974803641 15.999 > 5 88 O 0.16666666666667 0.67315461714633 0.92782974803641 15.999 > 5 89 O 0.50000000000000 0.67315461714633 0.92782974803641 15.999 > 5 90 O 0.83333333333333 0.67315461714633 0.92782974803641 15.999 > 5 *91 O 0.00000000000000 0.17423564566491 0.30892126319772 15.999 > 6 92 O 0.33333333333333 0.17423564566491 0.30892126319772 15.999 > 6 93 O 0.66666666666667 0.17423564566491 0.30892126319772 15.999 > 6 94 O 0.00000000000000 0.50756897899825 0.30892126319772 15.999 > 6 95 O 0.33333333333333 0.50756897899825 0.30892126319772 15.999 > 6 96 O 0.66666666666667 0.50756897899825 0.30892126319772 15.999 > 6 97 O 0.00000000000000 0.84090231233158 0.30892126319772 15.999 > 6 98 O 0.33333333333333 0.84090231233158 0.30892126319772 15.999 > 6 99 O 0.66666666666667 0.84090231233158 0.30892126319772 15.999 > 6 100 O 0.00000000000000 0.17423564566491 0.80892126319772 15.999 > 6 101 O 0.33333333333333 0.17423564566491 0.80892126319772 15.999 > 6 102 O 0.66666666666667 0.17423564566491 0.80892126319772 15.999 > 6 103 O 0.00000000000000 0.50756897899825 0.80892126319772 15.999 > 6 104 O 0.33333333333333 0.50756897899825 0.80892126319772 15.999 > 6 105 O 0.66666666666667 0.50756897899825 0.80892126319772 15.999 > 6 106 O 0.00000000000000 0.84090231233158 0.80892126319772 15.999 > 6 107 O 0.33333333333333 0.84090231233158 0.80892126319772 15.999 > 6 108 O 0.66666666666667 0.84090231233158 0.80892126319772 15.999 > 6 109 O 0.00000000000000 0.32684538285367 0.17782974803641 15.999 > 7 110 O 0.33333333333333 0.32684538285367 0.17782974803641 15.999 > 7 111 O 0.66666666666667 0.32684538285367 0.17782974803641 15.999 > 7 112 O 0.00000000000000 0.66017871618700 0.17782974803641 15.999 > 7 113 O 0.33333333333333 0.66017871618700 0.17782974803641 15.999 > 7 114 O 0.66666666666667 0.66017871618700 0.17782974803641 15.999 > 7 115 O 0.00000000000000 0.99351204952033 0.17782974803641 15.999 > 7 116 O 0.33333333333333 0.99351204952033 0.17782974803641 15.999 > 7 117 O 0.66666666666667 0.99351204952033 0.17782974803641 15.999 > 7 118 O 0.00000000000000 0.32684538285367 0.67782974803641 15.999 > 7 119 O 0.33333333333333 0.32684538285367 0.67782974803641 15.999 > 7 120 O 0.66666666666667 0.32684538285367 0.67782974803641 15.999 > 7 121 O 0.00000000000000 0.66017871618700 0.67782974803641 15.999 > 7 122 O 0.33333333333333 0.66017871618700 0.67782974803641 15.999 > 7 123 O 0.66666666666667 0.66017871618700 0.67782974803641 15.999 > 7 124 O 0.00000000000000 0.99351204952033 0.67782974803641 15.999 > 7 125 O 0.33333333333333 0.99351204952033 0.67782974803641 15.999 > 7 126 O 0.66666666666667 0.99351204952033 0.67782974803641 15.999 > 7 127 O 0.16666666666667 0.15909768766842 0.05892126319772 15.999 > 8 128 O 0.50000000000000 0.15909768766842 0.05892126319772 15.999 > 8 129 O 0.83333333333333 0.15909768766842 0.05892126319772 15.999 > 8 130 O 0.16666666666667 0.49243102100175 0.05892126319772 15.999 > 8 131 O 0.50000000000000 0.49243102100175 0.05892126319772 15.999 > 8 132 O 0.83333333333333 0.49243102100175 0.05892126319772 15.999 > 8 133 O 0.16666666666667 0.82576435433509 0.05892126319772 15.999 > 8 134 O 0.50000000000000 0.82576435433509 0.05892126319772 15.999 > 8 135 O 0.83333333333333 0.82576435433509 0.05892126319772 15.999 > 8 136 O 0.16666666666667 0.15909768766842 0.55892126319772 15.999 > 8 137 O 0.50000000000000 0.15909768766842 0.55892126319772 15.999 > 8 138 O 0.83333333333333 0.15909768766842 0.55892126319772 15.999 > 8 139 O 0.16666666666667 0.49243102100175 0.55892126319772 15.999 > 8 140 O 0.50000000000000 0.49243102100175 0.55892126319772 15.999 > 8 141 O 0.83333333333333 0.49243102100175 0.55892126319772 15.999 > 8 142 O 0.16666666666667 0.82576435433509 0.55892126319772 15.999 > 8 143 O 0.50000000000000 0.82576435433509 0.55892126319772 15.999 > 8 144 O 0.83333333333333 0.82576435433509 0.55892126319772 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7759497 0.0000000 0.0000000 0.0000000 3.6466767 0.0000000 0.0000000 0.0000000 3.7368992 -------------------------- Born effective charges -------------------------- 1 Y 4.0972130 0.0000000 0.0000000 0.0000000 3.4247040 0.1870068 0.0000000 0.0968985 3.8315976 2 Y 4.0972130 0.0000000 0.0000000 0.0000000 3.4247040 -0.1870068 0.0000000 -0.0968985 3.8315976 3 H 0.2202910 0.0000000 0.0000000 0.0000000 1.3642018 0.7161142 0.0000000 0.6563009 0.6801643 4 H 0.2202910 0.0000000 0.0000000 0.0000000 1.3642018 -0.7161142 0.0000000 -0.6563009 0.6801643 5 O -1.8439513 0.0000000 0.0000000 0.0000000 -2.4501366 0.1716413 0.0000000 0.1622541 -1.9605190 6 O -2.4735526 0.0000000 0.0000000 0.0000000 -2.3387692 -0.3758880 0.0000000 -0.4396362 -2.5512430 7 O -1.8439513 0.0000000 0.0000000 0.0000000 -2.4501366 -0.1716413 0.0000000 -0.1622541 -1.9605190 8 O -2.4735526 0.0000000 0.0000000 0.0000000 -2.3387692 0.3758880 0.0000000 0.4396362 -2.5512430 ---------------------------------------------------------------------------- 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): 0.011 Solver_block: 100 / 240 - Time: 2.191 Solver_block: 200 / 240 - Time: 2.241 Solver_block: 240 / 240 - Time: 0.967 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.437 --------------------------------- 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 2026-01-08 23:19:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 3.472534840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.781674610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.413285910000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.72433490434535 0.98390795248078 88.906 2 Y 0.50000000000000 0.27566509565465 0.48390795248078 88.906 3 H 0.50000000000000 0.19665693954409 0.96536701505097 1.008 4 H 0.00000000000000 0.80334306045591 0.46536701505097 1.008 5 O 0.50000000000000 0.01946385143900 0.85565949607281 15.999 6 O 0.00000000000000 0.52270693699474 0.61784252639544 15.999 7 O 0.00000000000000 0.98053614856100 0.35565949607281 15.999 8 O 0.50000000000000 0.47729306300526 0.11784252639544 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.417604519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.345023829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.826571820000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.24144496811512 0.49195397624039 88.906 > 1 2 Y 0.33333333333333 0.24144496811512 0.49195397624039 88.906 > 1 3 Y 0.66666666666667 0.24144496811512 0.49195397624039 88.906 > 1 4 Y 0.00000000000000 0.57477830144845 0.49195397624039 88.906 > 1 5 Y 0.33333333333333 0.57477830144845 0.49195397624039 88.906 > 1 6 Y 0.66666666666667 0.57477830144845 0.49195397624039 88.906 > 1 7 Y 0.00000000000000 0.90811163478178 0.49195397624039 88.906 > 1 8 Y 0.33333333333333 0.90811163478178 0.49195397624039 88.906 > 1 9 Y 0.66666666666667 0.90811163478178 0.49195397624039 88.906 > 1 10 Y 0.00000000000000 0.24144496811512 0.99195397624039 88.906 > 1 11 Y 0.33333333333333 0.24144496811512 0.99195397624039 88.906 > 1 12 Y 0.66666666666667 0.24144496811512 0.99195397624039 88.906 > 1 13 Y 0.00000000000000 0.57477830144845 0.99195397624039 88.906 > 1 14 Y 0.33333333333333 0.57477830144845 0.99195397624039 88.906 > 1 15 Y 0.66666666666667 0.57477830144845 0.99195397624039 88.906 > 1 16 Y 0.00000000000000 0.90811163478178 0.99195397624039 88.906 > 1 17 Y 0.33333333333333 0.90811163478178 0.99195397624039 88.906 > 1 18 Y 0.66666666666667 0.90811163478178 0.99195397624039 88.906 > 1 19 Y 0.16666666666667 0.09188836521822 0.24195397624039 88.906 > 19 20 Y 0.50000000000000 0.09188836521822 0.24195397624039 88.906 > 19 21 Y 0.83333333333333 0.09188836521822 0.24195397624039 88.906 > 19 22 Y 0.16666666666667 0.42522169855155 0.24195397624039 88.906 > 19 23 Y 0.50000000000000 0.42522169855155 0.24195397624039 88.906 > 19 24 Y 0.83333333333333 0.42522169855155 0.24195397624039 88.906 > 19 25 Y 0.16666666666667 0.75855503188488 0.24195397624039 88.906 > 19 26 Y 0.50000000000000 0.75855503188488 0.24195397624039 88.906 > 19 27 Y 0.83333333333333 0.75855503188488 0.24195397624039 88.906 > 19 28 Y 0.16666666666667 0.09188836521822 0.74195397624039 88.906 > 19 29 Y 0.50000000000000 0.09188836521822 0.74195397624039 88.906 > 19 30 Y 0.83333333333333 0.09188836521822 0.74195397624039 88.906 > 19 31 Y 0.16666666666667 0.42522169855155 0.74195397624039 88.906 > 19 32 Y 0.50000000000000 0.42522169855155 0.74195397624039 88.906 > 19 33 Y 0.83333333333333 0.42522169855155 0.74195397624039 88.906 > 19 34 Y 0.16666666666667 0.75855503188488 0.74195397624039 88.906 > 19 35 Y 0.50000000000000 0.75855503188488 0.74195397624039 88.906 > 19 36 Y 0.83333333333333 0.75855503188488 0.74195397624039 88.906 > 19 37 H 0.16666666666667 0.06555231318136 0.48268350752549 1.008 > 37 38 H 0.50000000000000 0.06555231318136 0.48268350752549 1.008 > 37 39 H 0.83333333333333 0.06555231318136 0.48268350752549 1.008 > 37 40 H 0.16666666666667 0.39888564651470 0.48268350752549 1.008 > 37 41 H 0.50000000000000 0.39888564651470 0.48268350752549 1.008 > 37 42 H 0.83333333333333 0.39888564651470 0.48268350752549 1.008 > 37 43 H 0.16666666666667 0.73221897984803 0.48268350752549 1.008 > 37 44 H 0.50000000000000 0.73221897984803 0.48268350752549 1.008 > 37 45 H 0.83333333333333 0.73221897984803 0.48268350752549 1.008 > 37 46 H 0.16666666666667 0.06555231318136 0.98268350752549 1.008 > 37 47 H 0.50000000000000 0.06555231318136 0.98268350752549 1.008 > 37 48 H 0.83333333333333 0.06555231318136 0.98268350752549 1.008 > 37 49 H 0.16666666666667 0.39888564651470 0.98268350752549 1.008 > 37 50 H 0.50000000000000 0.39888564651470 0.98268350752549 1.008 > 37 51 H 0.83333333333333 0.39888564651470 0.98268350752549 1.008 > 37 52 H 0.16666666666667 0.73221897984803 0.98268350752549 1.008 > 37 53 H 0.50000000000000 0.73221897984803 0.98268350752549 1.008 > 37 54 H 0.83333333333333 0.73221897984803 0.98268350752549 1.008 > 37 55 H 0.00000000000000 0.26778102015197 0.23268350752549 1.008 > 55 56 H 0.33333333333333 0.26778102015197 0.23268350752549 1.008 > 55 57 H 0.66666666666667 0.26778102015197 0.23268350752549 1.008 > 55 58 H 0.00000000000000 0.60111435348530 0.23268350752549 1.008 > 55 59 H 0.33333333333333 0.60111435348530 0.23268350752549 1.008 > 55 60 H 0.66666666666667 0.60111435348530 0.23268350752549 1.008 > 55 61 H 0.00000000000000 0.93444768681864 0.23268350752549 1.008 > 55 62 H 0.33333333333333 0.93444768681864 0.23268350752549 1.008 > 55 63 H 0.66666666666667 0.93444768681864 0.23268350752549 1.008 > 55 64 H 0.00000000000000 0.26778102015197 0.73268350752549 1.008 > 55 65 H 0.33333333333333 0.26778102015197 0.73268350752549 1.008 > 55 66 H 0.66666666666667 0.26778102015197 0.73268350752549 1.008 > 55 67 H 0.00000000000000 0.60111435348530 0.73268350752549 1.008 > 55 68 H 0.33333333333333 0.60111435348530 0.73268350752549 1.008 > 55 69 H 0.66666666666667 0.60111435348530 0.73268350752549 1.008 > 55 70 H 0.00000000000000 0.93444768681864 0.73268350752549 1.008 > 55 71 H 0.33333333333333 0.93444768681864 0.73268350752549 1.008 > 55 72 H 0.66666666666667 0.93444768681864 0.73268350752549 1.008 > 55 73 O 0.16666666666667 0.00648795047967 0.42782974803641 15.999 > 73 74 O 0.50000000000000 0.00648795047967 0.42782974803641 15.999 > 73 75 O 0.83333333333333 0.00648795047967 0.42782974803641 15.999 > 73 76 O 0.16666666666667 0.33982128381300 0.42782974803641 15.999 > 73 77 O 0.50000000000000 0.33982128381300 0.42782974803641 15.999 > 73 78 O 0.83333333333333 0.33982128381300 0.42782974803641 15.999 > 73 79 O 0.16666666666667 0.67315461714633 0.42782974803641 15.999 > 73 80 O 0.50000000000000 0.67315461714633 0.42782974803641 15.999 > 73 81 O 0.83333333333333 0.67315461714633 0.42782974803641 15.999 > 73 82 O 0.16666666666667 0.00648795047967 0.92782974803641 15.999 > 73 83 O 0.50000000000000 0.00648795047967 0.92782974803641 15.999 > 73 84 O 0.83333333333333 0.00648795047967 0.92782974803641 15.999 > 73 85 O 0.16666666666667 0.33982128381300 0.92782974803641 15.999 > 73 86 O 0.50000000000000 0.33982128381300 0.92782974803641 15.999 > 73 87 O 0.83333333333333 0.33982128381300 0.92782974803641 15.999 > 73 88 O 0.16666666666667 0.67315461714633 0.92782974803641 15.999 > 73 89 O 0.50000000000000 0.67315461714633 0.92782974803641 15.999 > 73 90 O 0.83333333333333 0.67315461714633 0.92782974803641 15.999 > 73 91 O 0.00000000000000 0.17423564566491 0.30892126319772 15.999 > 91 92 O 0.33333333333333 0.17423564566491 0.30892126319772 15.999 > 91 93 O 0.66666666666667 0.17423564566491 0.30892126319772 15.999 > 91 94 O 0.00000000000000 0.50756897899825 0.30892126319772 15.999 > 91 95 O 0.33333333333333 0.50756897899825 0.30892126319772 15.999 > 91 96 O 0.66666666666667 0.50756897899825 0.30892126319772 15.999 > 91 97 O 0.00000000000000 0.84090231233158 0.30892126319772 15.999 > 91 98 O 0.33333333333333 0.84090231233158 0.30892126319772 15.999 > 91 99 O 0.66666666666667 0.84090231233158 0.30892126319772 15.999 > 91 100 O 0.00000000000000 0.17423564566491 0.80892126319772 15.999 > 91 101 O 0.33333333333333 0.17423564566491 0.80892126319772 15.999 > 91 102 O 0.66666666666667 0.17423564566491 0.80892126319772 15.999 > 91 103 O 0.00000000000000 0.50756897899825 0.80892126319772 15.999 > 91 104 O 0.33333333333333 0.50756897899825 0.80892126319772 15.999 > 91 105 O 0.66666666666667 0.50756897899825 0.80892126319772 15.999 > 91 106 O 0.00000000000000 0.84090231233158 0.80892126319772 15.999 > 91 107 O 0.33333333333333 0.84090231233158 0.80892126319772 15.999 > 91 108 O 0.66666666666667 0.84090231233158 0.80892126319772 15.999 > 91 109 O 0.00000000000000 0.32684538285367 0.17782974803641 15.999 > 109 110 O 0.33333333333333 0.32684538285367 0.17782974803641 15.999 > 109 111 O 0.66666666666667 0.32684538285367 0.17782974803641 15.999 > 109 112 O 0.00000000000000 0.66017871618700 0.17782974803641 15.999 > 109 113 O 0.33333333333333 0.66017871618700 0.17782974803641 15.999 > 109 114 O 0.66666666666667 0.66017871618700 0.17782974803641 15.999 > 109 115 O 0.00000000000000 0.99351204952033 0.17782974803641 15.999 > 109 116 O 0.33333333333333 0.99351204952033 0.17782974803641 15.999 > 109 117 O 0.66666666666667 0.99351204952033 0.17782974803641 15.999 > 109 118 O 0.00000000000000 0.32684538285367 0.67782974803641 15.999 > 109 119 O 0.33333333333333 0.32684538285367 0.67782974803641 15.999 > 109 120 O 0.66666666666667 0.32684538285367 0.67782974803641 15.999 > 109 121 O 0.00000000000000 0.66017871618700 0.67782974803641 15.999 > 109 122 O 0.33333333333333 0.66017871618700 0.67782974803641 15.999 > 109 123 O 0.66666666666667 0.66017871618700 0.67782974803641 15.999 > 109 124 O 0.00000000000000 0.99351204952033 0.67782974803641 15.999 > 109 125 O 0.33333333333333 0.99351204952033 0.67782974803641 15.999 > 109 126 O 0.66666666666667 0.99351204952033 0.67782974803641 15.999 > 109 127 O 0.16666666666667 0.15909768766842 0.05892126319772 15.999 > 127 128 O 0.50000000000000 0.15909768766842 0.05892126319772 15.999 > 127 129 O 0.83333333333333 0.15909768766842 0.05892126319772 15.999 > 127 130 O 0.16666666666667 0.49243102100175 0.05892126319772 15.999 > 127 131 O 0.50000000000000 0.49243102100175 0.05892126319772 15.999 > 127 132 O 0.83333333333333 0.49243102100175 0.05892126319772 15.999 > 127 133 O 0.16666666666667 0.82576435433509 0.05892126319772 15.999 > 127 134 O 0.50000000000000 0.82576435433509 0.05892126319772 15.999 > 127 135 O 0.83333333333333 0.82576435433509 0.05892126319772 15.999 > 127 136 O 0.16666666666667 0.15909768766842 0.55892126319772 15.999 > 127 137 O 0.50000000000000 0.15909768766842 0.55892126319772 15.999 > 127 138 O 0.83333333333333 0.15909768766842 0.55892126319772 15.999 > 127 139 O 0.16666666666667 0.49243102100175 0.55892126319772 15.999 > 127 140 O 0.50000000000000 0.49243102100175 0.55892126319772 15.999 > 127 141 O 0.83333333333333 0.49243102100175 0.55892126319772 15.999 > 127 142 O 0.16666666666667 0.82576435433509 0.55892126319772 15.999 > 127 143 O 0.50000000000000 0.82576435433509 0.55892126319772 15.999 > 127 144 O 0.83333333333333 0.82576435433509 0.55892126319772 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7759497 0.0000000 0.0000000 0.0000000 3.6466767 0.0000000 0.0000000 0.0000000 3.7368992 -------------------------- Born effective charges -------------------------- 1 Y 4.0972130 0.0000000 0.0000000 0.0000000 3.4247040 0.1870068 0.0000000 0.0968985 3.8315976 2 Y 4.0972130 0.0000000 0.0000000 0.0000000 3.4247040 -0.1870068 0.0000000 -0.0968985 3.8315976 3 H 0.2202910 0.0000000 0.0000000 0.0000000 1.3642018 0.7161142 0.0000000 0.6563009 0.6801643 4 H 0.2202910 0.0000000 0.0000000 0.0000000 1.3642018 -0.7161142 0.0000000 -0.6563009 0.6801643 5 O -1.8439513 0.0000000 0.0000000 0.0000000 -2.4501366 0.1716413 0.0000000 0.1622541 -1.9605190 6 O -2.4735526 0.0000000 0.0000000 0.0000000 -2.3387692 -0.3758880 0.0000000 -0.4396362 -2.5512430 7 O -1.8439513 0.0000000 0.0000000 0.0000000 -2.4501366 -0.1716413 0.0000000 -0.1622541 -1.9605190 8 O -2.4735526 0.0000000 0.0000000 0.0000000 -2.3387692 0.3758880 0.0000000 0.4396362 -2.5512430 ---------------------------------------------------------------------------- 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 2026-01-08 23:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:27]------------------------- 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 3.472534840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.781674610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.413285910000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.72433490434535 0.98390795248078 88.906 2 Y 0.50000000000000 0.27566509565465 0.48390795248078 88.906 3 H 0.50000000000000 0.19665693954409 0.96536701505097 1.008 4 H 0.00000000000000 0.80334306045591 0.46536701505097 1.008 5 O 0.50000000000000 0.01946385143900 0.85565949607281 15.999 6 O 0.00000000000000 0.52270693699474 0.61784252639544 15.999 7 O 0.00000000000000 0.98053614856100 0.35565949607281 15.999 8 O 0.50000000000000 0.47729306300526 0.11784252639544 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.417604519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.345023829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.826571820000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.24144496811512 0.49195397624039 88.906 > 1 2 Y 0.33333333333333 0.24144496811512 0.49195397624039 88.906 > 1 3 Y 0.66666666666667 0.24144496811512 0.49195397624039 88.906 > 1 4 Y 0.00000000000000 0.57477830144845 0.49195397624039 88.906 > 1 5 Y 0.33333333333333 0.57477830144845 0.49195397624039 88.906 > 1 6 Y 0.66666666666667 0.57477830144845 0.49195397624039 88.906 > 1 7 Y 0.00000000000000 0.90811163478178 0.49195397624039 88.906 > 1 8 Y 0.33333333333333 0.90811163478178 0.49195397624039 88.906 > 1 9 Y 0.66666666666667 0.90811163478178 0.49195397624039 88.906 > 1 10 Y 0.00000000000000 0.24144496811512 0.99195397624039 88.906 > 1 11 Y 0.33333333333333 0.24144496811512 0.99195397624039 88.906 > 1 12 Y 0.66666666666667 0.24144496811512 0.99195397624039 88.906 > 1 13 Y 0.00000000000000 0.57477830144845 0.99195397624039 88.906 > 1 14 Y 0.33333333333333 0.57477830144845 0.99195397624039 88.906 > 1 15 Y 0.66666666666667 0.57477830144845 0.99195397624039 88.906 > 1 16 Y 0.00000000000000 0.90811163478178 0.99195397624039 88.906 > 1 17 Y 0.33333333333333 0.90811163478178 0.99195397624039 88.906 > 1 18 Y 0.66666666666667 0.90811163478178 0.99195397624039 88.906 > 1 19 Y 0.16666666666667 0.09188836521822 0.24195397624039 88.906 > 19 20 Y 0.50000000000000 0.09188836521822 0.24195397624039 88.906 > 19 21 Y 0.83333333333333 0.09188836521822 0.24195397624039 88.906 > 19 22 Y 0.16666666666667 0.42522169855155 0.24195397624039 88.906 > 19 23 Y 0.50000000000000 0.42522169855155 0.24195397624039 88.906 > 19 24 Y 0.83333333333333 0.42522169855155 0.24195397624039 88.906 > 19 25 Y 0.16666666666667 0.75855503188488 0.24195397624039 88.906 > 19 26 Y 0.50000000000000 0.75855503188488 0.24195397624039 88.906 > 19 27 Y 0.83333333333333 0.75855503188488 0.24195397624039 88.906 > 19 28 Y 0.16666666666667 0.09188836521822 0.74195397624039 88.906 > 19 29 Y 0.50000000000000 0.09188836521822 0.74195397624039 88.906 > 19 30 Y 0.83333333333333 0.09188836521822 0.74195397624039 88.906 > 19 31 Y 0.16666666666667 0.42522169855155 0.74195397624039 88.906 > 19 32 Y 0.50000000000000 0.42522169855155 0.74195397624039 88.906 > 19 33 Y 0.83333333333333 0.42522169855155 0.74195397624039 88.906 > 19 34 Y 0.16666666666667 0.75855503188488 0.74195397624039 88.906 > 19 35 Y 0.50000000000000 0.75855503188488 0.74195397624039 88.906 > 19 36 Y 0.83333333333333 0.75855503188488 0.74195397624039 88.906 > 19 37 H 0.16666666666667 0.06555231318136 0.48268350752549 1.008 > 37 38 H 0.50000000000000 0.06555231318136 0.48268350752549 1.008 > 37 39 H 0.83333333333333 0.06555231318136 0.48268350752549 1.008 > 37 40 H 0.16666666666667 0.39888564651470 0.48268350752549 1.008 > 37 41 H 0.50000000000000 0.39888564651470 0.48268350752549 1.008 > 37 42 H 0.83333333333333 0.39888564651470 0.48268350752549 1.008 > 37 43 H 0.16666666666667 0.73221897984803 0.48268350752549 1.008 > 37 44 H 0.50000000000000 0.73221897984803 0.48268350752549 1.008 > 37 45 H 0.83333333333333 0.73221897984803 0.48268350752549 1.008 > 37 46 H 0.16666666666667 0.06555231318136 0.98268350752549 1.008 > 37 47 H 0.50000000000000 0.06555231318136 0.98268350752549 1.008 > 37 48 H 0.83333333333333 0.06555231318136 0.98268350752549 1.008 > 37 49 H 0.16666666666667 0.39888564651470 0.98268350752549 1.008 > 37 50 H 0.50000000000000 0.39888564651470 0.98268350752549 1.008 > 37 51 H 0.83333333333333 0.39888564651470 0.98268350752549 1.008 > 37 52 H 0.16666666666667 0.73221897984803 0.98268350752549 1.008 > 37 53 H 0.50000000000000 0.73221897984803 0.98268350752549 1.008 > 37 54 H 0.83333333333333 0.73221897984803 0.98268350752549 1.008 > 37 55 H 0.00000000000000 0.26778102015197 0.23268350752549 1.008 > 55 56 H 0.33333333333333 0.26778102015197 0.23268350752549 1.008 > 55 57 H 0.66666666666667 0.26778102015197 0.23268350752549 1.008 > 55 58 H 0.00000000000000 0.60111435348530 0.23268350752549 1.008 > 55 59 H 0.33333333333333 0.60111435348530 0.23268350752549 1.008 > 55 60 H 0.66666666666667 0.60111435348530 0.23268350752549 1.008 > 55 61 H 0.00000000000000 0.93444768681864 0.23268350752549 1.008 > 55 62 H 0.33333333333333 0.93444768681864 0.23268350752549 1.008 > 55 63 H 0.66666666666667 0.93444768681864 0.23268350752549 1.008 > 55 64 H 0.00000000000000 0.26778102015197 0.73268350752549 1.008 > 55 65 H 0.33333333333333 0.26778102015197 0.73268350752549 1.008 > 55 66 H 0.66666666666667 0.26778102015197 0.73268350752549 1.008 > 55 67 H 0.00000000000000 0.60111435348530 0.73268350752549 1.008 > 55 68 H 0.33333333333333 0.60111435348530 0.73268350752549 1.008 > 55 69 H 0.66666666666667 0.60111435348530 0.73268350752549 1.008 > 55 70 H 0.00000000000000 0.93444768681864 0.73268350752549 1.008 > 55 71 H 0.33333333333333 0.93444768681864 0.73268350752549 1.008 > 55 72 H 0.66666666666667 0.93444768681864 0.73268350752549 1.008 > 55 73 O 0.16666666666667 0.00648795047967 0.42782974803641 15.999 > 73 74 O 0.50000000000000 0.00648795047967 0.42782974803641 15.999 > 73 75 O 0.83333333333333 0.00648795047967 0.42782974803641 15.999 > 73 76 O 0.16666666666667 0.33982128381300 0.42782974803641 15.999 > 73 77 O 0.50000000000000 0.33982128381300 0.42782974803641 15.999 > 73 78 O 0.83333333333333 0.33982128381300 0.42782974803641 15.999 > 73 79 O 0.16666666666667 0.67315461714633 0.42782974803641 15.999 > 73 80 O 0.50000000000000 0.67315461714633 0.42782974803641 15.999 > 73 81 O 0.83333333333333 0.67315461714633 0.42782974803641 15.999 > 73 82 O 0.16666666666667 0.00648795047967 0.92782974803641 15.999 > 73 83 O 0.50000000000000 0.00648795047967 0.92782974803641 15.999 > 73 84 O 0.83333333333333 0.00648795047967 0.92782974803641 15.999 > 73 85 O 0.16666666666667 0.33982128381300 0.92782974803641 15.999 > 73 86 O 0.50000000000000 0.33982128381300 0.92782974803641 15.999 > 73 87 O 0.83333333333333 0.33982128381300 0.92782974803641 15.999 > 73 88 O 0.16666666666667 0.67315461714633 0.92782974803641 15.999 > 73 89 O 0.50000000000000 0.67315461714633 0.92782974803641 15.999 > 73 90 O 0.83333333333333 0.67315461714633 0.92782974803641 15.999 > 73 91 O 0.00000000000000 0.17423564566491 0.30892126319772 15.999 > 91 92 O 0.33333333333333 0.17423564566491 0.30892126319772 15.999 > 91 93 O 0.66666666666667 0.17423564566491 0.30892126319772 15.999 > 91 94 O 0.00000000000000 0.50756897899825 0.30892126319772 15.999 > 91 95 O 0.33333333333333 0.50756897899825 0.30892126319772 15.999 > 91 96 O 0.66666666666667 0.50756897899825 0.30892126319772 15.999 > 91 97 O 0.00000000000000 0.84090231233158 0.30892126319772 15.999 > 91 98 O 0.33333333333333 0.84090231233158 0.30892126319772 15.999 > 91 99 O 0.66666666666667 0.84090231233158 0.30892126319772 15.999 > 91 100 O 0.00000000000000 0.17423564566491 0.80892126319772 15.999 > 91 101 O 0.33333333333333 0.17423564566491 0.80892126319772 15.999 > 91 102 O 0.66666666666667 0.17423564566491 0.80892126319772 15.999 > 91 103 O 0.00000000000000 0.50756897899825 0.80892126319772 15.999 > 91 104 O 0.33333333333333 0.50756897899825 0.80892126319772 15.999 > 91 105 O 0.66666666666667 0.50756897899825 0.80892126319772 15.999 > 91 106 O 0.00000000000000 0.84090231233158 0.80892126319772 15.999 > 91 107 O 0.33333333333333 0.84090231233158 0.80892126319772 15.999 > 91 108 O 0.66666666666667 0.84090231233158 0.80892126319772 15.999 > 91 109 O 0.00000000000000 0.32684538285367 0.17782974803641 15.999 > 109 110 O 0.33333333333333 0.32684538285367 0.17782974803641 15.999 > 109 111 O 0.66666666666667 0.32684538285367 0.17782974803641 15.999 > 109 112 O 0.00000000000000 0.66017871618700 0.17782974803641 15.999 > 109 113 O 0.33333333333333 0.66017871618700 0.17782974803641 15.999 > 109 114 O 0.66666666666667 0.66017871618700 0.17782974803641 15.999 > 109 115 O 0.00000000000000 0.99351204952033 0.17782974803641 15.999 > 109 116 O 0.33333333333333 0.99351204952033 0.17782974803641 15.999 > 109 117 O 0.66666666666667 0.99351204952033 0.17782974803641 15.999 > 109 118 O 0.00000000000000 0.32684538285367 0.67782974803641 15.999 > 109 119 O 0.33333333333333 0.32684538285367 0.67782974803641 15.999 > 109 120 O 0.66666666666667 0.32684538285367 0.67782974803641 15.999 > 109 121 O 0.00000000000000 0.66017871618700 0.67782974803641 15.999 > 109 122 O 0.33333333333333 0.66017871618700 0.67782974803641 15.999 > 109 123 O 0.66666666666667 0.66017871618700 0.67782974803641 15.999 > 109 124 O 0.00000000000000 0.99351204952033 0.67782974803641 15.999 > 109 125 O 0.33333333333333 0.99351204952033 0.67782974803641 15.999 > 109 126 O 0.66666666666667 0.99351204952033 0.67782974803641 15.999 > 109 127 O 0.16666666666667 0.15909768766842 0.05892126319772 15.999 > 127 128 O 0.50000000000000 0.15909768766842 0.05892126319772 15.999 > 127 129 O 0.83333333333333 0.15909768766842 0.05892126319772 15.999 > 127 130 O 0.16666666666667 0.49243102100175 0.05892126319772 15.999 > 127 131 O 0.50000000000000 0.49243102100175 0.05892126319772 15.999 > 127 132 O 0.83333333333333 0.49243102100175 0.05892126319772 15.999 > 127 133 O 0.16666666666667 0.82576435433509 0.05892126319772 15.999 > 127 134 O 0.50000000000000 0.82576435433509 0.05892126319772 15.999 > 127 135 O 0.83333333333333 0.82576435433509 0.05892126319772 15.999 > 127 136 O 0.16666666666667 0.15909768766842 0.55892126319772 15.999 > 127 137 O 0.50000000000000 0.15909768766842 0.55892126319772 15.999 > 127 138 O 0.83333333333333 0.15909768766842 0.55892126319772 15.999 > 127 139 O 0.16666666666667 0.49243102100175 0.55892126319772 15.999 > 127 140 O 0.50000000000000 0.49243102100175 0.55892126319772 15.999 > 127 141 O 0.83333333333333 0.49243102100175 0.55892126319772 15.999 > 127 142 O 0.16666666666667 0.82576435433509 0.55892126319772 15.999 > 127 143 O 0.50000000000000 0.82576435433509 0.55892126319772 15.999 > 127 144 O 0.83333333333333 0.82576435433509 0.55892126319772 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7759497 0.0000000 0.0000000 0.0000000 3.6466767 0.0000000 0.0000000 0.0000000 3.7368992 -------------------------- Born effective charges -------------------------- 1 Y 4.0972130 0.0000000 0.0000000 0.0000000 3.4247040 0.1870068 0.0000000 0.0968985 3.8315976 2 Y 4.0972130 0.0000000 0.0000000 0.0000000 3.4247040 -0.1870068 0.0000000 -0.0968985 3.8315976 3 H 0.2202910 0.0000000 0.0000000 0.0000000 1.3642018 0.7161142 0.0000000 0.6563009 0.6801643 4 H 0.2202910 0.0000000 0.0000000 0.0000000 1.3642018 -0.7161142 0.0000000 -0.6563009 0.6801643 5 O -1.8439513 0.0000000 0.0000000 0.0000000 -2.4501366 0.1716413 0.0000000 0.1622541 -1.9605190 6 O -2.4735526 0.0000000 0.0000000 0.0000000 -2.3387692 -0.3758880 0.0000000 -0.4396362 -2.5512430 7 O -1.8439513 0.0000000 0.0000000 0.0000000 -2.4501366 -0.1716413 0.0000000 -0.1622541 -1.9605190 8 O -2.4735526 0.0000000 0.0000000 0.0000000 -2.3387692 0.3758880 0.0000000 0.4396362 -2.5512430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (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: 0.00e+00 0.00e+00 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 3.406 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 -0.000) 0.000 7.454 ( 0.000 0.000 -0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 -0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 11.003 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 -0.000) 0.000 11.548 ( 0.000 0.000 -0.000) 0.000 13.019 ( 0.000 0.000 0.000) 0.000 13.825 ( 0.000 0.000 0.000) 0.000 17.332 ( 0.000 0.000 0.000) 0.000 29.646 ( 0.000 0.000 -0.000) 0.000 30.463 ( 0.000 0.000 -0.000) 0.000 33.903 ( 0.000 0.000 0.000) 0.000 34.851 ( 0.000 0.000 -0.000) 0.000 77.314 ( 0.000 0.000 -0.000) 0.000 77.576 ( 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: 0.00e+00 0.00e+00 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| 0.698 ( 33.466 0.000 0.000) 33.466 0.741 ( 35.643 0.000 0.000) 35.643 1.471 ( 70.709 0.000 0.000) 70.709 3.769 ( 32.909 0.000 0.000) 32.909 4.121 ( -0.124 0.000 0.000) 0.124 6.157 ( -3.586 0.000 0.000) 3.586 7.455 ( 0.062 0.000 0.000) 0.062 7.479 ( -1.848 0.000 0.000) 1.848 8.582 ( 7.661 0.000 0.000) 7.661 9.459 ( -0.030 0.000 0.000) 0.030 9.775 ( 1.326 0.000 0.000) 1.326 10.576 ( -8.117 0.000 0.000) 8.117 11.470 ( 12.016 0.000 0.000) 12.016 11.539 ( -0.808 0.000 0.000) 0.808 12.972 ( -4.500 0.000 0.000) 4.500 13.803 ( -2.077 0.000 0.000) 2.077 16.255 ( -3.678 0.000 0.000) 3.678 17.246 ( -8.203 0.000 0.000) 8.203 29.700 ( 5.241 0.000 0.000) 5.241 31.105 ( 1.551 0.000 0.000) 1.551 33.905 ( 0.279 0.000 0.000) 0.279 34.831 ( -1.901 0.000 0.000) 1.901 77.306 ( -0.786 0.000 0.000) 0.786 77.560 ( -1.544 0.000 0.000) 1.544 ======================= Grid point 2 (3/240) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.368 ( 31.506 0.000 0.000) 31.506 1.457 ( 33.672 0.000 0.000) 33.672 2.882 ( 65.121 0.000 0.000) 65.121 4.135 ( 2.540 0.000 0.000) 2.540 4.618 ( 45.873 0.000 0.000) 45.873 6.053 ( -6.004 0.000 0.000) 6.004 7.433 ( -2.386 0.000 0.000) 2.386 7.454 ( -0.166 0.000 0.000) 0.166 8.775 ( 10.022 0.000 0.000) 10.022 9.470 ( 1.356 0.000 0.000) 1.356 9.806 ( 1.545 0.000 0.000) 1.545 10.429 ( -5.095 0.000 0.000) 5.095 11.517 ( -1.285 0.000 0.000) 1.285 11.748 ( 14.233 0.000 0.000) 14.233 12.840 ( -8.090 0.000 0.000) 8.090 13.742 ( -3.790 0.000 0.000) 3.790 16.143 ( -7.150 0.000 0.000) 7.150 17.003 ( -15.063 0.000 0.000) 15.063 29.855 ( 9.616 0.000 0.000) 9.616 31.149 ( 2.536 0.000 0.000) 2.536 33.915 ( 0.696 0.000 0.000) 0.696 34.774 ( -3.611 0.000 0.000) 3.611 77.284 ( -1.293 0.000 0.000) 1.293 77.515 ( -2.708 0.000 0.000) 2.708 ======================= Grid point 3 (4/240) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.990 ( 28.921 0.000 0.000) 28.921 2.116 ( 30.231 0.000 0.000) 30.231 3.877 ( 18.055 0.000 0.000) 18.055 4.482 ( 44.194 0.000 0.000) 44.194 5.426 ( 20.546 0.000 0.000) 20.546 6.031 ( 13.815 0.000 0.000) 13.815 7.394 ( -0.936 0.000 0.000) 0.936 7.448 ( -0.357 0.000 0.000) 0.357 8.959 ( 7.480 0.000 0.000) 7.480 9.517 ( 3.134 0.000 0.000) 3.134 9.838 ( 1.737 0.000 0.000) 1.737 10.385 ( 0.747 0.000 0.000) 0.747 11.490 ( -1.154 0.000 0.000) 1.154 12.035 ( 13.222 0.000 0.000) 13.222 12.652 ( -9.724 0.000 0.000) 9.724 13.651 ( -4.931 0.000 0.000) 4.931 15.965 ( -10.008 0.000 0.000) 10.008 16.643 ( -19.488 0.000 0.000) 19.488 30.085 ( 12.489 0.000 0.000) 12.489 31.203 ( 2.511 0.000 0.000) 2.511 33.936 ( 1.340 0.000 0.000) 1.340 34.685 ( -4.963 0.000 0.000) 4.963 77.256 ( -1.364 0.000 0.000) 1.364 77.452 ( -3.279 0.000 0.000) 3.279 ======================= Grid point 4 (5/240) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.558 ( 26.403 0.000 0.000) 26.403 2.692 ( 25.610 0.000 0.000) 25.610 3.997 ( 1.510 0.000 0.000) 1.510 5.371 ( -14.167 0.000 0.000) 14.167 5.545 ( 50.086 0.000 0.000) 50.086 6.616 ( 28.270 0.000 0.000) 28.270 7.436 ( 7.088 0.000 0.000) 7.088 7.451 ( 1.239 0.000 0.000) 1.239 9.087 ( 5.305 0.000 0.000) 5.305 9.584 ( 2.703 0.000 0.000) 2.703 9.892 ( 4.023 0.000 0.000) 4.023 10.436 ( 3.420 0.000 0.000) 3.420 11.475 ( -0.109 0.000 0.000) 0.109 12.240 ( 2.783 0.000 0.000) 2.783 12.498 ( -1.152 0.000 0.000) 1.152 13.543 ( -5.578 0.000 0.000) 5.578 15.741 ( -11.479 0.000 0.000) 11.479 16.223 ( -20.758 0.000 0.000) 20.758 30.357 ( 13.568 0.000 0.000) 13.568 31.244 ( 1.267 0.000 0.000) 1.267 33.972 ( 2.223 0.000 0.000) 2.223 34.573 ( -5.835 0.000 0.000) 5.835 77.231 ( -1.010 0.000 0.000) 1.010 77.384 ( -3.261 0.000 0.000) 3.261 ======================= Grid point 5 (6/240) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.079 ( 24.287 0.000 0.000) 24.287 3.164 ( 20.183 0.000 0.000) 20.183 4.007 ( -0.424 0.000 0.000) 0.424 5.014 ( -19.577 0.000 0.000) 19.577 6.402 ( 31.099 0.000 0.000) 31.099 6.942 ( 5.064 0.000 0.000) 5.064 7.541 ( 8.917 0.000 0.000) 8.917 7.735 ( 18.831 0.000 0.000) 18.831 9.194 ( 5.440 0.000 0.000) 5.440 9.606 ( -0.807 0.000 0.000) 0.807 10.019 ( 8.220 0.000 0.000) 8.220 10.496 ( 1.861 0.000 0.000) 1.861 11.494 ( 2.127 0.000 0.000) 2.127 12.114 ( -10.182 0.000 0.000) 10.182 12.648 ( 11.029 0.000 0.000) 11.029 13.422 ( -6.252 0.000 0.000) 6.252 15.511 ( -10.312 0.000 0.000) 10.312 15.814 ( -18.448 0.000 0.000) 18.448 30.632 ( 12.896 0.000 0.000) 12.896 31.247 ( -1.117 0.000 0.000) 1.117 34.028 ( 3.276 0.000 0.000) 3.276 34.449 ( -6.164 0.000 0.000) 6.164 77.216 ( -0.355 0.000 0.000) 0.355 77.321 ( -2.811 0.000 0.000) 2.811 ======================= Grid point 6 (7/240) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.518 ( 14.106 0.000 0.000) 14.106 3.548 ( 20.217 0.000 0.000) 20.217 3.986 ( -0.684 0.000 0.000) 0.684 4.587 ( -21.524 0.000 0.000) 21.524 6.801 ( 9.771 0.000 0.000) 9.771 6.962 ( -1.281 0.000 0.000) 1.281 7.820 ( 15.688 0.000 0.000) 15.688 8.041 ( 8.767 0.000 0.000) 8.767 9.314 ( 6.208 0.000 0.000) 6.208 9.553 ( -4.169 0.000 0.000) 4.169 10.212 ( 9.853 0.000 0.000) 9.853 10.495 ( -2.310 0.000 0.000) 2.310 11.569 ( 5.252 0.000 0.000) 5.252 11.900 ( -10.121 0.000 0.000) 10.121 12.880 ( 11.185 0.000 0.000) 11.185 13.280 ( -7.738 0.000 0.000) 7.738 15.344 ( -5.165 0.000 0.000) 5.165 15.490 ( -12.408 0.000 0.000) 12.408 30.877 ( 10.783 0.000 0.000) 10.783 31.192 ( -4.290 0.000 0.000) 4.290 34.107 ( 4.364 0.000 0.000) 4.364 34.324 ( -5.964 0.000 0.000) 5.964 77.217 ( 0.451 0.000 0.000) 0.451 77.270 ( -2.111 0.000 0.000) 2.111 ======================= Grid point 7 (8/240) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.727 ( -4.700 0.000 0.000) 4.700 3.727 ( 4.700 0.000 0.000) 4.700 4.155 ( -18.761 0.000 0.000) 18.761 4.155 ( 18.761 0.000 0.000) 18.761 6.916 ( -3.200 0.000 0.000) 3.200 6.916 ( 3.200 0.000 0.000) 3.200 8.065 ( -6.283 0.000 0.000) 6.283 8.065 ( 6.283 0.000 0.000) 6.283 9.444 ( -6.109 0.000 0.000) 6.109 9.444 ( 6.109 0.000 0.000) 6.109 10.395 ( -7.307 0.000 0.000) 7.307 10.395 ( 7.307 0.000 0.000) 7.307 11.709 ( -8.221 0.000 0.000) 8.221 11.709 ( 8.221 0.000 0.000) 8.221 13.099 ( -9.855 0.000 0.000) 9.855 13.099 ( 9.855 0.000 0.000) 9.855 15.323 ( -3.518 0.000 0.000) 3.518 15.323 ( 3.518 0.000 0.000) 3.518 31.069 ( -7.717 0.000 0.000) 7.717 31.069 ( 7.717 0.000 0.000) 7.717 34.207 ( -5.317 0.000 0.000) 5.317 34.207 ( 5.317 0.000 0.000) 5.317 77.235 ( -1.297 0.000 0.000) 1.297 77.235 ( 1.297 0.000 0.000) 1.297 ======================= Grid point 15 (9/240) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 0.713 ( 0.000 33.260 0.000) 33.260 0.927 ( 0.000 43.778 0.000) 43.778 1.246 ( 0.000 58.420 0.000) 58.420 3.395 ( 0.000 -1.062 0.000) 1.062 4.235 ( 0.000 10.047 0.000) 10.047 6.176 ( 0.000 -4.308 0.000) 4.308 7.398 ( 0.000 -5.184 0.000) 5.184 7.848 ( 0.000 1.159 0.000) 1.159 8.493 ( 0.000 -0.436 0.000) 0.436 8.771 ( 0.000 -14.089 0.000) 14.089 9.676 ( 0.000 15.374 0.000) 15.374 10.986 ( 0.000 -1.533 0.000) 1.533 11.322 ( 0.000 -0.093 0.000) 0.093 11.504 ( 0.000 -3.799 0.000) 3.799 13.041 ( 0.000 1.880 0.000) 1.880 13.803 ( 0.000 -2.040 0.000) 2.040 14.655 ( 0.000 -2.132 0.000) 2.132 18.282 ( 0.000 -2.227 0.000) 2.227 29.661 ( 0.000 1.429 0.000) 1.429 30.451 ( 0.000 -1.060 0.000) 1.060 34.380 ( 0.000 0.387 0.000) 0.387 34.845 ( 0.000 -0.600 0.000) 0.600 77.435 ( 0.000 11.385 0.000) 11.385 81.712 ( 0.000 -9.252 0.000) 9.252 ======================= Grid point 16 (10/240) ======================= q-point: ( 0.07 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.107 ( 24.238 28.069 0.000) 37.085 1.137 ( 19.229 32.430 0.000) 37.703 1.862 ( 53.216 33.835 0.000) 63.062 3.752 ( 32.160 -1.765 0.000) 32.209 4.228 ( -0.382 9.765 0.000) 9.772 6.115 ( -4.712 -4.286 0.000) 6.370 7.394 ( -0.370 -5.482 0.000) 5.495 7.681 ( -7.700 11.605 0.000) 13.927 8.565 ( 7.823 -1.787 0.000) 8.025 9.173 ( 19.248 -29.714 0.000) 35.403 9.634 ( -2.901 12.519 0.000) 12.851 10.811 ( -12.158 7.969 0.000) 14.537 11.444 ( 11.062 -1.376 0.000) 11.147 11.513 ( 0.909 -2.961 0.000) 3.097 12.994 ( -4.510 2.035 0.000) 4.948 13.802 ( -1.622 -0.946 0.000) 1.878 15.219 ( 30.753 -38.005 0.000) 48.889 17.864 ( -28.539 16.187 0.000) 32.810 29.716 ( 5.253 1.450 0.000) 5.450 30.739 ( 16.481 -15.558 0.000) 22.664 34.183 ( -10.941 11.272 0.000) 15.709 34.823 ( -1.982 -0.706 0.000) 2.104 77.421 ( -1.270 10.973 0.000) 11.047 79.610 (-104.369 91.847 0.000) 139.028 ======================= Grid point 17 (11/240) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.595 ( 24.947 20.209 0.000) 32.105 1.653 ( 27.201 17.422 0.000) 32.302 3.071 ( 59.155 16.744 0.000) 61.479 4.232 ( 2.703 9.049 0.000) 9.444 4.587 ( 44.799 -3.027 0.000) 44.902 5.996 ( -6.600 -5.439 0.000) 8.552 7.384 ( -0.648 -6.101 0.000) 6.135 7.555 ( -5.203 9.352 0.000) 10.702 8.766 ( 10.452 -1.300 0.000) 10.532 9.454 ( 9.543 -23.099 0.000) 24.992 9.591 ( -0.676 10.220 0.000) 10.243 10.609 ( -6.703 10.006 0.000) 12.044 11.498 ( -0.446 -1.614 0.000) 1.674 11.738 ( 14.559 -1.115 0.000) 14.602 12.862 ( -8.051 2.137 0.000) 8.330 13.740 ( -4.078 -0.516 0.000) 4.110 15.595 ( 7.661 -34.492 0.000) 35.333 17.315 ( -24.860 15.597 0.000) 29.347 29.871 ( 9.598 1.455 0.000) 9.707 30.985 ( 8.341 -11.902 0.000) 14.534 34.038 ( -3.844 8.728 0.000) 9.537 34.765 ( -3.679 -0.870 0.000) 3.780 77.386 ( -2.041 9.777 0.000) 9.988 78.284 ( -36.314 56.463 0.000) 67.133 ======================= Grid point 18 (12/240) ======================= q-point: ( 0.21 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.117 ( 25.353 11.782 0.000) 27.957 2.209 ( 26.298 8.869 0.000) 27.753 3.952 ( 14.858 6.532 0.000) 16.230 4.593 ( 43.000 10.233 0.000) 44.200 5.396 ( 21.944 -2.872 0.000) 22.131 5.944 ( 11.082 -8.240 0.000) 13.810 7.371 ( -0.331 -6.274 0.000) 6.282 7.465 ( -3.258 5.358 0.000) 6.271 8.957 ( 7.610 -0.660 0.000) 7.638 9.543 ( 0.306 -9.070 0.000) 9.075 9.675 ( 8.110 1.332 0.000) 8.219 10.542 ( 0.019 10.301 0.000) 10.301 11.489 ( -0.291 -0.146 0.000) 0.325 12.028 ( 13.217 -0.712 0.000) 13.236 12.677 ( -9.486 2.446 0.000) 9.796 13.642 ( -5.281 -0.961 0.000) 5.367 15.623 ( -3.325 -25.015 0.000) 25.235 16.820 ( -23.629 10.511 0.000) 25.861 30.100 ( 12.430 1.389 0.000) 12.507 31.117 ( 4.970 -7.157 0.000) 8.713 33.997 ( -0.634 5.021 0.000) 5.061 34.675 ( -5.014 -1.000 0.000) 5.113 77.341 ( -2.262 8.046 0.000) 8.358 77.787 ( -16.006 27.769 0.000) 32.052 ======================= Grid point 19 (13/240) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.627 ( 24.178 6.484 0.000) 25.032 2.719 ( 23.064 2.824 0.000) 23.237 4.039 ( 0.181 3.698 0.000) 3.702 5.346 ( -14.090 -2.570 0.000) 14.322 5.594 ( 46.221 4.386 0.000) 46.429 6.499 ( 27.567 -10.606 0.000) 29.537 7.388 ( 2.572 -5.568 0.000) 6.133 7.461 ( 4.856 2.051 0.000) 5.271 9.081 ( 4.861 -0.757 0.000) 4.920 9.540 ( -0.528 -7.718 0.000) 7.736 9.857 ( 9.499 3.370 0.000) 10.079 10.583 ( 3.010 10.714 0.000) 11.129 11.492 ( 0.659 1.337 0.000) 1.491 12.236 ( 3.734 -0.451 0.000) 3.761 12.525 ( -1.904 2.707 0.000) 3.309 13.529 ( -5.589 -1.261 0.000) 5.730 15.503 ( -7.526 -18.087 0.000) 19.590 16.341 ( -22.693 7.293 0.000) 23.836 30.370 ( 13.444 1.219 0.000) 13.500 31.195 ( 2.565 -4.309 0.000) 5.014 34.003 ( 1.168 2.725 0.000) 2.965 34.562 ( -5.842 -1.064 0.000) 5.938 77.296 ( -2.026 6.105 0.000) 6.433 77.541 ( -8.912 13.631 0.000) 16.286 ======================= Grid point 20 (14/240) ======================= q-point: ( 0.36 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.110 ( 22.665 2.819 0.000) 22.840 3.150 ( 18.741 -1.137 0.000) 18.776 4.020 ( -1.846 1.054 0.000) 2.126 4.993 ( -19.371 -2.286 0.000) 19.506 6.359 ( 26.313 -3.921 0.000) 26.603 6.828 ( 5.470 -10.267 0.000) 11.633 7.524 ( 11.726 -1.666 0.000) 11.843 7.708 ( 16.719 -2.265 0.000) 16.872 9.174 ( 4.538 -1.910 0.000) 4.923 9.517 ( -1.767 -8.419 0.000) 8.603 10.066 ( 10.738 6.232 0.000) 12.416 10.632 ( 1.071 10.588 0.000) 10.642 11.524 ( 2.703 2.577 0.000) 3.734 12.134 ( -9.458 2.006 0.000) 9.668 12.655 ( 10.612 0.812 0.000) 10.643 13.413 ( -5.829 -0.838 0.000) 5.888 15.346 ( -7.007 -12.443 0.000) 14.280 15.898 ( -20.057 5.080 0.000) 20.691 30.641 ( 12.687 0.901 0.000) 12.719 31.219 ( -0.299 -2.501 0.000) 2.519 34.042 ( 2.623 1.267 0.000) 2.913 34.438 ( -6.099 -1.011 0.000) 6.182 77.261 ( -1.281 4.208 0.000) 4.398 77.397 ( -5.399 6.710 0.000) 8.613 ======================= Grid point 21 (15/240) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.482 ( 13.624 -3.381 0.000) 14.037 3.551 ( 18.601 0.023 0.000) 18.601 3.975 ( -1.310 -1.115 0.000) 1.720 4.571 ( -21.200 -1.718 0.000) 21.269 6.691 ( 8.421 -9.519 0.000) 12.709 6.848 ( -1.556 -10.138 0.000) 10.256 7.830 ( 15.180 0.463 0.000) 15.187 7.999 ( 9.250 -3.802 0.000) 10.001 9.273 ( 5.039 -3.766 0.000) 6.290 9.464 ( -3.471 -7.859 0.000) 8.591 10.290 ( 10.695 7.470 0.000) 13.046 10.609 ( -3.475 9.408 0.000) 10.029 11.608 ( 5.490 3.469 0.000) 6.494 11.931 ( -9.672 3.090 0.000) 10.153 12.884 ( 11.178 0.411 0.000) 11.185 13.280 ( -7.375 -0.025 0.000) 7.375 15.249 ( -1.571 -7.024 0.000) 7.197 15.534 ( -14.908 2.375 0.000) 15.096 30.882 ( 10.473 0.404 0.000) 10.480 31.179 ( -3.713 -1.236 0.000) 3.913 34.110 ( 3.933 0.286 0.000) 3.943 34.315 ( -5.802 -0.795 0.000) 5.857 77.247 ( -0.028 2.807 0.000) 2.807 77.310 ( -3.200 3.537 0.000) 4.770 ======================= Grid point 22 (16/240) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.692 ( -5.087 -3.402 0.000) 6.120 3.692 ( 5.087 -3.402 0.000) 6.120 4.147 ( -16.656 -0.905 0.000) 16.681 4.147 ( 16.656 -0.905 0.000) 16.681 6.798 ( -3.264 -10.380 0.000) 10.881 6.798 ( 3.264 -10.380 0.000) 10.881 8.048 ( -3.591 -1.852 0.000) 4.041 8.048 ( 3.591 -1.852 0.000) 4.041 9.377 ( -2.157 -6.004 0.000) 6.379 9.377 ( 2.157 -6.004 0.000) 6.379 10.488 ( -5.870 8.157 0.000) 10.049 10.488 ( 5.870 8.157 0.000) 10.049 11.748 ( -4.207 3.641 0.000) 5.564 11.748 ( 4.207 3.641 0.000) 5.564 13.103 ( -9.346 0.358 0.000) 9.353 13.103 ( 9.346 0.358 0.000) 9.353 15.304 ( -5.748 -1.768 0.000) 6.014 15.304 ( 5.748 -1.768 0.000) 6.014 31.065 ( -7.224 -0.297 0.000) 7.231 31.065 ( 7.224 -0.297 0.000) 7.231 34.203 ( -5.032 -0.377 0.000) 5.046 34.203 ( 5.032 -0.377 0.000) 5.047 77.262 ( -0.865 2.456 0.000) 2.604 77.262 ( 0.866 2.456 0.000) 2.604 ======================= Grid point 30 (17/240) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.375 ( 0.000 29.672 0.000) 29.672 1.818 ( 0.000 41.214 0.000) 41.214 2.420 ( 0.000 53.184 0.000) 53.184 3.359 ( 0.000 -2.407 0.000) 2.407 4.496 ( 0.000 13.462 0.000) 13.462 6.044 ( 0.000 -8.118 0.000) 8.118 7.248 ( 0.000 -8.638 0.000) 8.638 7.881 ( 0.000 1.971 0.000) 1.971 8.476 ( 0.000 -13.670 0.000) 13.670 8.481 ( 0.000 -0.715 0.000) 0.715 10.004 ( 0.000 15.250 0.000) 15.250 10.945 ( 0.000 -2.294 0.000) 2.294 11.317 ( 0.000 -0.423 0.000) 0.423 11.412 ( 0.000 -4.484 0.000) 4.484 13.084 ( 0.000 1.907 0.000) 1.907 13.742 ( 0.000 -3.718 0.000) 3.718 14.593 ( 0.000 -3.619 0.000) 3.619 18.219 ( 0.000 -3.491 0.000) 3.491 29.703 ( 0.000 2.464 0.000) 2.464 30.420 ( 0.000 -1.868 0.000) 1.868 34.391 ( 0.000 0.640 0.000) 0.640 34.828 ( 0.000 -0.994 0.000) 0.994 77.779 ( 0.000 21.104 0.000) 21.104 81.428 ( 0.000 -17.689 0.000) 17.689 ======================= Grid point 31 (18/240) ======================= q-point: ( 0.07 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.692 ( 22.891 27.403 0.000) 35.706 1.897 ( 7.769 37.552 0.000) 38.347 2.699 ( 28.168 42.642 0.000) 51.105 3.697 ( 30.609 -3.416 0.000) 30.799 4.486 ( -0.818 13.522 0.000) 13.547 5.979 ( -5.723 -8.479 0.000) 10.230 7.237 ( -1.037 -9.047 0.000) 9.106 7.859 ( -3.280 5.887 0.000) 6.740 8.463 ( 6.280 -9.786 0.000) 11.628 8.747 ( 16.023 -10.349 0.000) 19.074 9.947 ( -4.258 15.868 0.000) 16.429 10.881 ( -6.133 0.415 0.000) 6.147 11.421 ( 10.653 -1.383 0.000) 10.743 11.431 ( 1.239 -3.858 0.000) 4.052 13.047 ( -3.812 2.702 0.000) 4.673 13.748 ( -0.439 -4.078 0.000) 4.102 14.743 ( 12.309 -13.311 0.000) 18.130 17.999 ( -19.380 0.850 0.000) 19.399 29.758 ( 5.284 2.474 0.000) 5.834 30.540 ( 10.028 -5.774 0.000) 11.571 34.319 ( -5.945 3.486 0.000) 6.892 34.804 ( -2.202 -1.103 0.000) 2.463 77.752 ( -2.555 20.217 0.000) 20.378 80.583 ( -66.386 14.062 0.000) 67.859 ======================= Grid point 32 (19/240) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.115 ( 17.380 25.501 0.000) 30.860 2.132 ( 15.372 29.127 0.000) 32.934 3.500 ( 43.844 22.111 0.000) 49.104 4.483 ( 24.714 6.330 0.000) 25.511 4.498 ( 21.896 2.526 0.000) 22.041 5.830 ( -8.446 -10.186 0.000) 13.232 7.210 ( -1.407 -9.936 0.000) 10.035 7.745 ( -7.152 7.602 0.000) 10.438 8.666 ( 11.560 -10.007 0.000) 15.290 9.063 ( 13.428 -10.790 0.000) 17.226 9.880 ( -1.464 15.960 0.000) 16.027 10.757 ( -4.425 4.397 0.000) 6.238 11.454 ( 1.089 -2.621 0.000) 2.838 11.703 ( 15.097 -2.078 0.000) 15.239 12.928 ( -7.440 4.021 0.000) 8.457 13.703 ( -3.771 -3.284 0.000) 5.001 14.983 ( 9.152 -23.109 0.000) 24.855 17.518 ( -25.745 4.746 0.000) 26.179 29.913 ( 9.574 2.489 0.000) 9.892 30.762 ( 10.461 -8.704 0.000) 13.608 34.194 ( -5.398 5.730 0.000) 7.872 34.740 ( -3.921 -1.400 0.000) 4.163 77.679 ( -4.380 17.748 0.000) 18.280 79.276 ( -54.337 32.729 0.000) 63.433 ======================= Grid point 33 (20/240) ======================= q-point: ( 0.21 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.454 ( 17.250 19.127 0.000) 25.756 2.486 ( 17.105 17.891 0.000) 24.752 4.110 ( 9.041 7.446 0.000) 11.712 4.873 ( 37.828 15.189 0.000) 40.764 5.311 ( 25.450 -4.808 0.000) 25.900 5.698 ( 4.460 -14.867 0.000) 15.521 7.189 ( -0.257 -10.485 0.000) 10.488 7.593 ( -6.802 5.896 0.000) 9.002 8.886 ( 9.063 -7.671 0.000) 11.874 9.268 ( 6.216 -9.174 0.000) 11.082 9.908 ( 4.437 14.906 0.000) 15.552 10.729 ( 1.690 7.131 0.000) 7.329 11.480 ( 1.506 -0.927 0.000) 1.769 12.002 ( 13.426 -1.776 0.000) 13.543 12.758 ( -8.515 5.328 0.000) 10.044 13.605 ( -5.474 -2.746 0.000) 6.124 15.097 ( 2.249 -23.438 0.000) 23.546 16.980 ( -26.069 4.704 0.000) 26.491 30.141 ( 12.282 2.403 0.000) 12.514 30.952 ( 7.896 -7.815 0.000) 11.110 34.108 ( -2.958 5.049 0.000) 5.852 34.646 ( -5.182 -1.681 0.000) 5.448 77.579 ( -5.150 14.244 0.000) 15.147 78.393 ( -32.768 25.883 0.000) 41.758 ======================= Grid point 34 (21/240) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.820 ( 18.091 10.925 0.000) 21.134 2.825 ( 15.744 8.338 0.000) 17.816 4.128 ( -3.046 4.029 0.000) 5.051 5.246 ( -14.557 -7.531 0.000) 16.390 5.703 ( 36.511 5.249 0.000) 36.887 6.219 ( 26.862 -14.701 0.000) 30.622 7.230 ( 5.434 -9.003 0.000) 10.515 7.515 ( 0.823 2.769 0.000) 2.889 9.028 ( 4.980 -5.304 0.000) 7.275 9.332 ( 0.716 -8.269 0.000) 8.300 10.053 ( 9.156 12.910 0.000) 15.827 10.800 ( 4.273 9.321 0.000) 10.254 11.518 ( 2.363 0.914 0.000) 2.534 12.219 ( 5.935 -1.211 0.000) 6.057 12.619 ( -3.075 6.382 0.000) 7.084 13.491 ( -5.400 -2.418 0.000) 5.917 15.099 ( -1.418 -19.151 0.000) 19.204 16.457 ( -24.560 3.560 0.000) 24.817 30.405 ( 13.108 2.119 0.000) 13.278 31.084 ( 4.919 -5.777 0.000) 7.588 34.071 ( -0.737 3.412 0.000) 3.490 34.531 ( -5.866 -1.817 0.000) 6.141 77.474 ( -4.922 10.464 0.000) 11.564 77.870 ( -19.182 15.839 0.000) 24.876 ======================= Grid point 35 (22/240) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.125 ( 13.550 -0.591 0.000) 13.563 3.195 ( 18.057 4.916 0.000) 18.714 4.037 ( -5.377 0.161 0.000) 5.379 4.899 ( -18.559 -7.195 0.000) 19.905 6.253 ( 16.564 -5.926 0.000) 17.592 6.560 ( 6.673 -13.859 0.000) 15.382 7.459 ( 16.471 -4.887 0.000) 17.180 7.661 ( 12.044 -1.853 0.000) 12.186 9.107 ( 3.086 -4.933 0.000) 5.818 9.320 ( -1.550 -8.355 0.000) 8.498 10.265 ( 10.956 11.485 0.000) 15.872 10.863 ( 1.000 10.484 0.000) 10.531 11.584 ( 4.300 2.837 0.000) 5.152 12.194 ( -6.611 3.261 0.000) 7.372 12.693 ( 8.676 3.182 0.000) 9.241 13.386 ( -4.891 -1.704 0.000) 5.179 15.068 ( -0.858 -13.176 0.000) 13.204 15.977 ( -21.892 2.407 0.000) 22.024 30.668 ( 12.111 1.565 0.000) 12.212 31.151 ( 1.525 -3.742 0.000) 4.041 34.076 ( 1.177 1.781 0.000) 2.135 34.409 ( -5.914 -1.725 0.000) 6.160 77.383 ( -3.724 7.106 0.000) 8.023 77.568 ( -10.886 8.721 0.000) 13.948 ======================= Grid point 36 (23/240) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.381 ( 11.319 -6.012 0.000) 12.817 3.536 ( 13.033 -1.766 0.000) 13.152 3.939 ( -2.004 -2.331 0.000) 3.074 4.500 ( -19.770 -5.428 0.000) 20.502 6.457 ( 5.599 -11.602 0.000) 12.883 6.591 ( -1.535 -12.959 0.000) 13.050 7.804 ( 14.223 -3.959 0.000) 14.764 7.901 ( 8.991 -4.946 0.000) 10.261 9.167 ( 2.831 -6.168 0.000) 6.786 9.277 ( -2.445 -8.441 0.000) 8.788 10.490 ( 10.639 10.562 0.000) 14.991 10.827 ( -4.452 10.319 0.000) 11.238 11.699 ( 6.723 4.856 0.000) 8.293 12.028 ( -8.652 5.790 0.000) 10.411 12.900 ( 10.642 1.233 0.000) 10.713 13.274 ( -6.469 -0.649 0.000) 6.502 15.096 ( 4.259 -7.077 0.000) 8.260 15.566 ( -17.798 0.806 0.000) 17.816 30.893 ( 9.630 0.701 0.000) 9.656 31.144 ( -2.279 -1.963 0.000) 3.008 34.118 ( 2.868 0.414 0.000) 2.897 34.292 ( -5.358 -1.340 0.000) 5.523 77.328 ( -1.437 4.696 0.000) 4.911 77.402 ( -5.533 4.916 0.000) 7.402 ======================= Grid point 37 (24/240) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.579 ( -5.331 -7.474 0.000) 9.180 3.579 ( 5.331 -7.474 0.000) 9.180 4.111 ( -12.549 -2.668 0.000) 12.829 4.111 ( 12.549 -2.668 0.000) 12.829 6.540 ( -2.313 -12.799 0.000) 13.006 6.540 ( 2.313 -12.799 0.000) 13.006 7.978 ( -0.549 -5.073 0.000) 5.102 7.978 ( 0.549 -5.073 0.000) 5.102 9.224 ( -0.800 -7.675 0.000) 7.717 9.224 ( 0.800 -7.675 0.000) 7.717 10.690 ( -6.601 10.088 0.000) 12.056 10.690 ( 6.601 10.088 0.000) 12.056 11.853 ( -3.275 6.106 0.000) 6.929 11.853 ( 3.275 6.106 0.000) 6.929 13.110 ( -8.439 0.273 0.000) 8.444 13.110 ( 8.439 0.273 0.000) 8.444 15.259 ( -9.571 -2.185 0.000) 9.817 15.259 ( 9.571 -2.185 0.000) 9.817 31.057 ( -5.973 -0.478 0.000) 5.992 31.057 ( 5.973 -0.478 0.000) 5.992 34.192 ( -4.284 -0.630 0.000) 4.330 34.192 ( 4.284 -0.630 0.000) 4.330 77.330 ( -0.770 3.784 0.000) 3.862 77.330 ( 0.770 3.784 0.000) 3.862 ======================= Grid point 45 (25/240) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.939 ( 0.000 23.993 0.000) 23.993 2.640 ( 0.000 37.096 0.000) 37.096 3.291 ( 0.000 -4.136 0.000) 4.136 3.435 ( 0.000 42.716 0.000) 42.716 4.734 ( 0.000 7.908 0.000) 7.908 5.849 ( 0.000 -9.992 0.000) 9.992 7.067 ( 0.000 -7.989 0.000) 7.989 7.925 ( 0.000 2.108 0.000) 2.108 8.204 ( 0.000 -12.209 0.000) 12.209 8.465 ( 0.000 -0.740 0.000) 0.740 10.297 ( 0.000 12.453 0.000) 12.453 10.897 ( 0.000 -2.136 0.000) 2.136 11.305 ( 0.000 -0.692 0.000) 0.692 11.331 ( 0.000 -3.117 0.000) 3.117 13.114 ( 0.000 0.956 0.000) 0.956 13.655 ( 0.000 -4.331 0.000) 4.331 14.512 ( 0.000 -3.888 0.000) 3.888 18.146 ( 0.000 -3.348 0.000) 3.348 29.759 ( 0.000 2.736 0.000) 2.736 30.377 ( 0.000 -2.141 0.000) 2.141 34.405 ( 0.000 0.662 0.000) 0.662 34.806 ( 0.000 -1.028 0.000) 1.028 78.296 ( 0.000 27.742 0.000) 27.742 80.984 ( 0.000 -24.369 0.000) 24.369 ======================= Grid point 46 (26/240) ======================= q-point: ( 0.07 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.227 ( 23.159 23.174 0.000) 32.762 2.664 ( 2.667 35.173 0.000) 35.274 3.532 ( 12.481 29.814 0.000) 32.321 3.621 ( 27.774 1.532 0.000) 27.816 4.733 ( 0.224 8.739 0.000) 8.742 5.778 ( -6.561 -10.007 0.000) 11.966 7.044 ( -2.011 -8.667 0.000) 8.897 7.950 ( -0.917 2.978 0.000) 3.116 8.206 ( 4.608 -12.294 0.000) 13.129 8.648 ( 14.536 -2.022 0.000) 14.676 10.261 ( -2.779 13.648 0.000) 13.928 10.866 ( -2.936 -1.346 0.000) 3.230 11.346 ( 2.305 -3.253 0.000) 3.987 11.405 ( 8.730 -0.972 0.000) 8.784 13.100 ( -1.813 2.321 0.000) 2.946 13.644 ( -1.187 -5.503 0.000) 5.629 14.543 ( 2.874 -6.907 0.000) 7.481 17.979 ( -15.412 -1.917 0.000) 15.531 29.814 ( 5.315 2.757 0.000) 5.988 30.448 ( 6.505 -3.444 0.000) 7.360 34.368 ( -3.353 1.597 0.000) 3.714 34.780 ( -2.439 -1.138 0.000) 2.692 78.245 ( -4.874 26.279 0.000) 26.727 80.553 ( -37.879 -12.437 0.000) 39.868 ======================= Grid point 47 (27/240) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.657 ( 14.769 25.487 0.000) 29.456 2.768 ( 8.093 30.488 0.000) 31.544 3.907 ( 22.201 14.323 0.000) 26.420 4.371 ( 41.451 -4.447 0.000) 41.689 4.784 ( 7.107 11.296 0.000) 13.346 5.598 ( -10.507 -10.434 0.000) 14.808 6.995 ( -2.478 -9.952 0.000) 10.256 7.850 ( -7.359 2.146 0.000) 7.665 8.409 ( 12.743 -11.395 0.000) 17.095 8.965 ( 14.431 -1.410 0.000) 14.500 10.214 ( -1.139 15.179 0.000) 15.222 10.811 ( -1.330 1.107 0.000) 1.730 11.392 ( 2.360 -3.027 0.000) 3.838 11.659 ( 14.550 -1.987 0.000) 14.685 13.025 ( -5.386 5.190 0.000) 7.479 13.602 ( -2.960 -6.230 0.000) 6.897 14.615 ( 3.660 -12.732 0.000) 13.248 17.560 ( -24.075 0.171 0.000) 24.075 29.970 ( 9.573 2.800 0.000) 9.974 30.618 ( 9.270 -5.355 0.000) 10.706 34.283 ( -4.476 3.019 0.000) 5.399 34.710 ( -4.289 -1.463 0.000) 4.532 78.105 ( -8.388 22.365 0.000) 23.886 79.643 ( -46.044 4.395 0.000) 46.253 ======================= Grid point 48 (28/240) ======================= q-point: ( 0.21 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.867 ( 8.695 20.674 0.000) 22.428 2.955 ( 8.132 25.249 0.000) 26.526 4.210 ( 4.366 0.891 0.000) 4.456 5.114 ( 22.112 1.066 0.000) 22.138 5.240 ( 36.980 -3.040 0.000) 37.105 5.387 ( -3.643 -6.919 0.000) 7.820 6.961 ( -0.125 -10.580 0.000) 10.581 7.685 ( -7.948 2.596 0.000) 8.361 8.668 ( 11.620 -10.539 0.000) 15.688 9.186 ( 6.524 -0.730 0.000) 6.565 10.233 ( 3.092 15.184 0.000) 15.496 10.840 ( 4.207 3.560 0.000) 5.511 11.448 ( 3.114 -2.020 0.000) 3.711 11.957 ( 13.547 -2.415 0.000) 13.760 12.895 ( -6.690 7.492 0.000) 10.044 13.524 ( -4.407 -4.957 0.000) 6.633 14.683 ( 2.944 -15.768 0.000) 16.041 17.033 ( -26.376 0.872 0.000) 26.390 30.196 ( 12.111 2.751 0.000) 12.420 30.808 ( 8.824 -5.841 0.000) 10.582 34.197 ( -3.700 3.389 0.000) 5.018 34.608 ( -5.458 -1.826 0.000) 5.755 77.914 ( -9.851 17.159 0.000) 19.786 78.777 ( -36.881 10.376 0.000) 38.313 ======================= Grid point 49 (29/240) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.034 ( 6.722 12.387 0.000) 14.093 3.114 ( 8.529 16.066 0.000) 18.190 4.171 ( -5.977 -0.688 0.000) 6.016 5.011 ( -15.048 -15.220 0.000) 21.403 5.784 ( 24.237 2.051 0.000) 24.323 5.954 ( 27.054 -9.187 0.000) 28.572 7.035 ( 8.670 -9.033 0.000) 12.521 7.567 ( -2.193 2.067 0.000) 3.014 8.866 ( 7.359 -8.504 0.000) 11.246 9.244 ( -0.172 -1.367 0.000) 1.378 10.339 ( 7.021 13.549 0.000) 15.260 10.957 ( 6.045 5.432 0.000) 8.127 11.524 ( 4.372 -0.342 0.000) 4.386 12.183 ( 7.571 -2.190 0.000) 7.882 12.783 ( -3.199 8.792 0.000) 9.355 13.430 ( -4.489 -3.277 0.000) 5.558 14.742 ( 3.075 -14.332 0.000) 14.658 16.498 ( -25.203 0.733 0.000) 25.214 30.454 ( 12.657 2.461 0.000) 12.895 30.969 ( 6.613 -5.037 0.000) 8.313 34.136 ( -2.100 2.744 0.000) 3.455 34.490 ( -5.912 -2.015 0.000) 6.246 77.713 ( -9.316 11.940 0.000) 15.144 78.140 ( -25.137 9.168 0.000) 26.757 ======================= Grid point 50 (30/240) ======================= q-point: ( 0.36 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.143 ( 4.625 2.747 0.000) 5.380 3.312 ( 9.864 6.045 0.000) 11.569 4.011 ( -8.625 -2.793 0.000) 9.066 4.680 ( -16.696 -13.598 0.000) 21.532 6.119 ( 9.131 -6.846 0.000) 11.412 6.314 ( 8.219 -8.456 0.000) 11.792 7.324 ( 17.631 -7.498 0.000) 19.160 7.630 ( 7.646 -1.305 0.000) 7.757 8.976 ( 3.752 -6.380 0.000) 7.401 9.209 ( -2.638 -2.777 0.000) 3.830 10.509 ( 9.186 11.355 0.000) 14.606 11.043 ( 1.479 6.295 0.000) 6.467 11.636 ( 6.771 2.127 0.000) 7.097 12.240 ( -1.878 0.733 0.000) 2.015 12.797 ( 4.608 6.509 0.000) 7.975 13.345 ( -3.969 -2.168 0.000) 4.522 14.823 ( 5.146 -9.782 0.000) 11.053 16.006 ( -22.537 0.591 0.000) 22.545 30.704 ( 11.318 1.833 0.000) 11.466 31.072 ( 3.337 -3.612 0.000) 4.918 34.112 ( -0.244 1.620 0.000) 1.638 34.370 ( -5.648 -1.906 0.000) 5.960 77.542 ( -7.117 7.674 0.000) 10.466 77.729 ( -15.204 6.203 0.000) 16.421 ======================= Grid point 51 (31/240) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.247 ( 5.810 -6.263 0.000) 8.543 3.462 ( 2.257 -5.537 0.000) 5.979 3.887 ( -0.434 -2.174 0.000) 2.217 4.339 ( -16.099 -9.702 0.000) 18.796 6.238 ( 3.933 -9.076 0.000) 9.891 6.364 ( -1.354 -7.798 0.000) 7.915 7.662 ( 13.403 -8.579 0.000) 15.913 7.797 ( 6.402 -5.346 0.000) 8.340 9.037 ( 2.543 -5.273 0.000) 5.854 9.149 ( -3.020 -3.943 0.000) 4.967 10.703 ( 9.307 9.424 0.000) 13.245 11.010 ( -4.358 6.790 0.000) 8.068 11.799 ( 8.725 4.459 0.000) 9.799 12.142 ( -6.848 4.279 0.000) 8.075 12.939 ( 8.339 2.528 0.000) 8.714 13.252 ( -5.445 -1.380 0.000) 5.617 14.971 ( 9.594 -4.597 0.000) 10.639 15.576 ( -19.174 0.318 0.000) 19.177 30.910 ( 8.489 0.839 0.000) 8.530 31.101 ( -0.592 -2.009 0.000) 2.095 34.126 ( 1.627 0.412 0.000) 1.679 34.262 ( -4.745 -1.448 0.000) 4.961 77.431 ( -3.436 4.827 0.000) 5.926 77.499 ( -7.502 4.039 0.000) 8.520 ======================= Grid point 52 (32/240) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.384 ( -4.425 -10.731 0.000) 11.607 3.384 ( 4.425 -10.731 0.000) 11.607 4.036 ( -7.648 -4.213 0.000) 8.732 4.036 ( 7.648 -4.213 0.000) 8.732 6.310 ( -1.555 -8.556 0.000) 8.696 6.310 ( 1.555 -8.556 0.000) 8.696 7.836 ( -0.763 -8.068 0.000) 8.104 7.836 ( 0.763 -8.068 0.000) 8.104 9.090 ( -1.104 -4.675 0.000) 4.803 9.090 ( 1.104 -4.675 0.000) 4.803 10.881 ( -7.250 7.845 0.000) 10.682 10.881 ( 7.250 7.845 0.000) 10.682 11.980 ( -3.865 5.393 0.000) 6.635 11.980 ( 3.865 5.393 0.000) 6.635 13.113 ( -7.177 -0.030 0.000) 7.177 13.113 ( 7.177 -0.030 0.000) 7.177 15.223 ( -13.057 -1.075 0.000) 13.101 15.223 ( 13.057 -1.075 0.000) 13.101 31.047 ( -4.474 -0.475 0.000) 4.499 31.047 ( 4.474 -0.475 0.000) 4.499 34.178 ( -3.326 -0.654 0.000) 3.390 34.178 ( 3.326 -0.654 0.000) 3.390 77.409 ( -0.622 3.559 0.000) 3.613 77.409 ( 0.622 3.559 0.000) 3.613 ======================= Grid point 60 (33/240) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.361 ( 0.000 15.657 0.000) 15.657 3.190 ( 0.000 -5.176 0.000) 5.176 3.347 ( 0.000 29.457 0.000) 29.457 4.116 ( 0.000 18.600 0.000) 18.600 4.825 ( 0.000 3.304 0.000) 3.304 5.654 ( 0.000 -8.151 0.000) 8.151 6.934 ( 0.000 -4.506 0.000) 4.506 7.963 ( 0.000 1.385 0.000) 1.385 7.984 ( 0.000 -8.142 0.000) 8.142 8.452 ( 0.000 -0.479 0.000) 0.479 10.511 ( 0.000 7.548 0.000) 7.548 10.860 ( 0.000 -1.263 0.000) 1.263 11.281 ( 0.000 -1.691 0.000) 1.691 11.291 ( 0.000 -0.545 0.000) 0.545 13.126 ( 0.000 0.290 0.000) 0.290 13.574 ( 0.000 -3.058 0.000) 3.058 14.441 ( 0.000 -2.579 0.000) 2.579 18.088 ( 0.000 -1.995 0.000) 1.995 29.809 ( 0.000 1.907 0.000) 1.907 30.337 ( 0.000 -1.540 0.000) 1.540 34.417 ( 0.000 0.424 0.000) 0.424 34.787 ( 0.000 -0.656 0.000) 0.656 78.904 ( 0.000 29.074 0.000) 29.074 80.435 ( 0.000 -27.010 0.000) 27.010 ======================= Grid point 61 (34/240) ======================= q-point: ( 0.07 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.637 ( 23.769 15.333 0.000) 28.285 3.334 ( 0.896 26.667 0.000) 26.682 3.496 ( 25.299 -3.874 0.000) 25.594 4.124 ( 1.650 15.508 0.000) 15.595 4.829 ( 0.475 1.941 0.000) 1.998 5.602 ( -4.617 -5.973 0.000) 7.550 6.897 ( -3.207 -5.047 0.000) 5.980 7.934 ( -4.087 -5.807 0.000) 7.101 8.050 ( 7.793 -0.626 0.000) 7.818 8.619 ( 14.411 -0.907 0.000) 14.440 10.498 ( -0.937 8.514 0.000) 8.566 10.836 ( -1.991 -1.380 0.000) 2.423 11.295 ( 1.540 -1.688 0.000) 2.285 11.385 ( 8.577 -0.826 0.000) 8.616 13.142 ( 1.116 1.666 0.000) 2.005 13.536 ( -3.390 -4.261 0.000) 5.445 14.436 ( -0.458 -3.459 0.000) 3.489 17.940 ( -13.894 -1.511 0.000) 13.976 29.866 ( 5.371 1.939 0.000) 5.710 30.391 ( 5.083 -2.002 0.000) 5.463 34.392 ( -2.324 0.750 0.000) 2.442 34.760 ( -2.644 -0.733 0.000) 2.744 78.816 ( -8.332 27.042 0.000) 28.297 80.177 ( -23.643 -21.444 0.000) 31.920 ======================= Grid point 62 (35/240) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.140 ( 18.768 19.506 0.000) 27.069 3.365 ( 4.232 25.254 0.000) 25.607 3.990 ( 11.720 -5.070 0.000) 12.770 4.375 ( 30.977 2.761 0.000) 31.100 4.851 ( 1.670 -4.876 0.000) 5.154 5.495 ( -4.423 1.262 0.000) 4.600 6.822 ( -3.576 -6.016 0.000) 6.999 7.831 ( -5.841 -3.192 0.000) 6.656 8.256 ( 11.665 -3.238 0.000) 12.106 8.950 ( 15.501 -0.343 0.000) 15.504 10.485 ( 0.026 10.124 0.000) 10.124 10.811 ( 0.445 -0.946 0.000) 1.046 11.338 ( 2.613 -1.992 0.000) 3.286 11.623 ( 13.683 -1.365 0.000) 13.751 13.141 ( -1.953 5.773 0.000) 6.094 13.458 ( -3.559 -7.090 0.000) 7.933 14.428 ( -0.125 -5.568 0.000) 5.569 17.550 ( -22.997 -0.686 0.000) 23.008 30.023 ( 9.627 2.014 0.000) 9.836 30.532 ( 8.194 -2.860 0.000) 8.679 34.328 ( -3.656 1.382 0.000) 3.909 34.683 ( -4.650 -0.967 0.000) 4.750 78.580 ( -13.994 21.883 0.000) 25.975 79.554 ( -34.414 -10.587 0.000) 36.005 ======================= Grid point 63 (36/240) ======================= q-point: ( 0.21 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.297 ( 2.115 19.458 0.000) 19.573 3.492 ( 2.823 24.840 0.000) 25.000 4.124 ( 3.141 -8.652 0.000) 9.205 4.821 ( -4.030 -20.632 0.000) 21.022 5.166 ( 37.137 -0.554 0.000) 37.141 5.523 ( 9.379 8.087 0.000) 12.384 6.778 ( 0.183 -6.310 0.000) 6.313 7.702 ( -6.300 -0.558 0.000) 6.324 8.505 ( 11.882 -4.824 0.000) 12.824 9.186 ( 6.644 0.255 0.000) 6.649 10.511 ( 2.540 10.669 0.000) 10.967 10.877 ( 5.896 -0.006 0.000) 5.896 11.406 ( 4.147 -1.660 0.000) 4.467 11.909 ( 13.262 -1.915 0.000) 13.399 13.058 ( -5.400 7.784 0.000) 9.474 13.403 ( -2.030 -6.388 0.000) 6.703 14.442 ( 1.821 -7.408 0.000) 7.628 17.035 ( -26.206 -0.287 0.000) 26.208 30.249 ( 12.014 2.046 0.000) 12.187 30.711 ( 8.840 -3.315 0.000) 9.441 34.250 ( -3.710 1.738 0.000) 4.097 34.574 ( -5.761 -1.260 0.000) 5.897 78.266 ( -15.891 15.599 0.000) 22.267 78.847 ( -32.781 -2.478 0.000) 32.874 ======================= Grid point 64 (37/240) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.317 ( -0.622 13.699 0.000) 13.713 3.472 ( -2.816 16.818 0.000) 17.052 4.095 ( -5.568 -5.431 0.000) 7.778 4.629 ( -12.534 -19.978 0.000) 23.584 5.792 ( 14.266 -0.348 0.000) 14.271 5.849 ( 25.378 -2.023 0.000) 25.459 6.876 ( 10.249 -5.664 0.000) 11.710 7.598 ( -2.912 0.938 0.000) 3.059 8.725 ( 9.187 -4.508 0.000) 10.233 9.233 ( -1.142 -0.055 0.000) 1.143 10.590 ( 5.182 9.775 0.000) 11.063 11.021 ( 6.902 0.731 0.000) 6.940 11.514 ( 6.461 -0.368 0.000) 6.471 12.135 ( 8.097 -2.068 0.000) 8.357 12.958 ( -3.512 7.204 0.000) 8.015 13.359 ( -2.383 -3.245 0.000) 4.026 14.515 ( 5.462 -7.276 0.000) 9.098 16.501 ( -25.203 -0.193 0.000) 25.203 30.502 ( 12.265 1.892 0.000) 12.410 30.882 ( 7.461 -3.111 0.000) 8.084 34.182 ( -2.765 1.590 0.000) 3.189 34.452 ( -5.973 -1.433 0.000) 6.143 77.949 ( -14.474 9.918 0.000) 17.546 78.245 ( -25.287 1.143 0.000) 25.313 ======================= Grid point 65 (38/240) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.247 ( -5.459 6.960 0.000) 8.846 3.426 ( -2.508 3.611 0.000) 4.397 3.942 ( -7.563 -2.397 0.000) 7.933 4.362 ( -12.614 -15.503 0.000) 19.987 5.987 ( 6.107 -4.886 0.000) 7.821 6.212 ( 9.055 -2.129 0.000) 9.302 7.173 ( 16.688 -6.100 0.000) 17.768 7.607 ( 3.484 -0.788 0.000) 3.572 8.876 ( 5.586 -2.995 0.000) 6.338 9.176 ( -3.755 -0.790 0.000) 3.837 10.720 ( 7.164 8.201 0.000) 10.889 11.118 ( 2.019 1.106 0.000) 2.301 11.675 ( 9.119 1.504 0.000) 9.242 12.230 ( 1.113 -1.231 0.000) 1.660 12.933 ( 1.121 5.498 0.000) 5.611 13.303 ( -3.182 -1.630 0.000) 3.576 14.669 ( 9.550 -4.825 0.000) 10.699 16.011 ( -22.331 0.045 0.000) 22.331 30.740 ( 10.565 1.447 0.000) 10.663 31.008 ( 4.613 -2.388 0.000) 5.195 34.141 ( -1.216 1.047 0.000) 1.604 34.334 ( -5.383 -1.359 0.000) 5.552 77.686 ( -10.737 5.742 0.000) 12.176 77.815 ( -16.490 1.992 0.000) 16.610 ======================= Grid point 66 (39/240) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.150 ( -2.762 -2.299 0.000) 3.594 3.315 ( -7.989 -7.778 0.000) 11.150 3.865 ( 0.893 0.347 0.000) 0.958 4.127 ( -10.034 -9.432 0.000) 13.771 6.090 ( 4.644 -4.795 0.000) 6.675 6.267 ( -1.947 -2.089 0.000) 2.856 7.489 ( 12.816 -6.930 0.000) 14.570 7.688 ( 2.734 -4.382 0.000) 5.165 8.965 ( 3.406 -1.785 0.000) 3.845 9.097 ( -3.629 -1.286 0.000) 3.850 10.872 ( 7.351 6.449 0.000) 9.779 11.105 ( -2.983 2.350 0.000) 3.797 11.875 ( 9.850 2.573 0.000) 10.180 12.192 ( -4.374 0.812 0.000) 4.448 12.997 ( 4.753 2.499 0.000) 5.370 13.223 ( -4.702 -1.198 0.000) 4.852 14.906 ( 13.340 -1.776 0.000) 13.458 15.583 ( -19.329 0.359 0.000) 19.332 30.927 ( 7.399 0.696 0.000) 7.432 31.065 ( 0.813 -1.379 0.000) 1.601 34.134 ( 0.620 0.316 0.000) 0.696 34.235 ( -4.151 -1.006 0.000) 4.271 77.518 ( -5.451 3.233 0.000) 6.338 77.563 ( -8.236 1.900 0.000) 8.452 ======================= Grid point 67 (40/240) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.168 ( -2.623 -8.773 0.000) 9.156 3.168 ( 2.623 -8.773 0.000) 9.156 3.953 ( -3.580 -3.283 0.000) 4.857 3.953 ( 3.580 -3.283 0.000) 4.858 6.189 ( -3.212 -3.313 0.000) 4.615 6.189 ( 3.213 -3.313 0.000) 4.615 7.673 ( -1.925 -6.571 0.000) 6.848 7.673 ( 1.925 -6.571 0.000) 6.848 9.029 ( -2.041 -1.419 0.000) 2.486 9.029 ( 2.041 -1.419 0.000) 2.486 11.011 ( -5.870 4.392 0.000) 7.331 11.011 ( 5.870 4.392 0.000) 7.331 12.062 ( -4.898 2.368 0.000) 5.441 12.062 ( 4.898 2.368 0.000) 5.441 13.111 ( -5.592 -0.071 0.000) 5.592 13.111 ( 5.592 -0.071 0.000) 5.592 15.214 ( -15.824 0.023 0.000) 15.824 15.214 ( 15.824 0.023 0.000) 15.824 31.038 ( -3.261 -0.292 0.000) 3.274 31.038 ( 3.261 -0.292 0.000) 3.274 34.166 ( -2.476 -0.415 0.000) 2.510 34.166 ( 2.476 -0.415 0.000) 2.510 77.470 ( -0.407 2.092 0.000) 2.132 77.470 ( 0.407 2.092 0.000) 2.132 ======================= Grid point 75 (41/240) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.542 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.285 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.540 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 18.067 ( 0.000 0.000 0.000) 0.000 29.831 ( 0.000 0.000 0.000) 0.000 30.319 ( 0.000 0.000 0.000) 0.000 34.421 ( 0.000 0.000 0.000) 0.000 34.780 ( 0.000 0.000 0.000) 0.000 79.331 ( 0.000 0.000 0.000) 0.000 80.030 ( 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: 0.00e+00 0.00e+00 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| 2.814 ( 24.092 0.000 0.000) 24.092 3.410 ( 25.498 -0.000 0.000) 25.498 3.716 ( -1.566 0.000 0.000) 1.566 4.203 ( 0.261 0.000 0.000) 0.261 4.871 ( -3.942 0.000 0.000) 3.942 5.538 ( -0.792 0.000 0.000) 0.792 6.843 ( -3.679 0.000 0.000) 3.679 7.856 ( -2.832 0.000 0.000) 2.832 8.056 ( 6.571 0.000 0.000) 6.571 8.609 ( 14.375 0.000 0.000) 14.375 10.593 ( 0.122 0.000 0.000) 0.122 10.819 ( -2.220 0.000 0.000) 2.220 11.276 ( 1.316 0.000 0.000) 1.316 11.376 ( 8.443 0.000 0.000) 8.443 13.162 ( 2.972 0.000 0.000) 2.972 13.488 ( -4.960 -0.000 0.000) 4.960 14.399 ( -1.227 0.000 0.000) 1.227 17.923 ( -13.494 0.000 0.000) 13.494 29.887 ( 5.409 0.000 0.000) 5.409 30.369 ( 4.682 0.000 0.000) 4.682 34.400 ( -2.039 0.000 0.000) 2.039 34.752 ( -2.730 0.000 0.000) 2.730 79.208 ( -11.476 0.000 0.000) 11.476 79.841 ( -17.606 0.000 0.000) 17.606 ======================= Grid point 79 (43/240) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.382 ( 25.866 0.000 0.000) 25.866 3.692 ( 1.092 -0.000 0.000) 1.092 3.882 ( 9.233 -0.000 0.000) 9.233 4.375 ( 23.006 0.000 0.000) 23.006 4.767 ( -4.301 0.000 0.000) 4.301 5.534 ( 1.000 0.000 0.000) 1.000 6.758 ( -3.956 0.000 0.000) 3.956 7.784 ( -4.158 0.000 0.000) 4.158 8.231 ( 10.160 0.000 0.000) 10.160 8.946 ( 15.983 0.000 0.000) 15.983 10.603 ( 0.969 0.000 0.000) 0.969 10.791 ( 0.513 0.000 0.000) 0.513 11.316 ( 2.575 0.000 0.000) 2.575 11.607 ( 13.306 0.000 0.000) 13.306 13.235 ( 3.662 0.000 0.000) 3.662 13.349 ( -8.065 -0.000 0.000) 8.065 14.371 ( -1.224 0.000 0.000) 1.224 17.542 ( -22.668 0.000 0.000) 22.668 30.045 ( 9.679 0.000 0.000) 9.679 30.501 ( 7.801 0.000 0.000) 7.801 34.343 ( -3.359 0.000 0.000) 3.359 34.672 ( -4.811 0.000 0.000) 4.811 78.889 ( -18.683 0.000 0.000) 18.683 79.360 ( -27.548 0.000 0.000) 27.548 ======================= Grid point 81 (44/240) ======================= q-point: ( 0.21 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.568 ( -1.446 0.000 0.000) 1.446 3.858 ( -6.513 0.000 0.000) 6.513 3.943 ( 14.408 -0.000 0.000) 14.408 4.519 ( -8.554 0.000 0.000) 8.554 5.165 ( 35.753 0.000 0.000) 35.753 5.611 ( 7.071 0.000 0.000) 7.071 6.711 ( 0.362 0.000 0.000) 0.362 7.690 ( -4.739 0.000 0.000) 4.739 8.457 ( 11.344 0.000 0.000) 11.344 9.189 ( 6.730 0.000 0.000) 6.730 10.637 ( 2.374 0.000 0.000) 2.374 10.864 ( 6.415 0.000 0.000) 6.415 11.388 ( 4.590 0.000 0.000) 4.590 11.887 ( 13.027 0.000 0.000) 13.027 13.178 ( -7.962 0.000 0.000) 7.962 13.298 ( 2.200 -0.000 0.000) 2.200 14.366 ( 1.218 0.000 0.000) 1.218 17.031 ( -26.117 0.000 0.000) 26.117 30.272 ( 12.007 0.000 0.000) 12.007 30.675 ( 8.751 0.000 0.000) 8.751 34.269 ( -3.634 0.000 0.000) 3.634 34.560 ( -5.911 0.000 0.000) 5.911 78.478 ( -20.426 0.000 0.000) 20.426 78.771 ( -28.384 0.000 0.000) 28.384 ======================= Grid point 83 (45/240) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.512 ( -3.812 0.000 0.000) 3.812 3.671 ( -11.434 0.000 0.000) 11.434 4.061 ( -2.064 -0.000 0.000) 2.064 4.319 ( -9.745 0.000 0.000) 9.745 5.793 ( 8.762 0.000 0.000) 8.762 5.827 ( 26.219 0.000 0.000) 26.219 6.815 ( 10.267 0.000 0.000) 10.267 7.608 ( -2.663 0.000 0.000) 2.663 8.679 ( 9.743 0.000 0.000) 9.743 9.233 ( -1.474 0.000 0.000) 1.474 10.705 ( 4.373 0.000 0.000) 4.373 11.016 ( 7.128 0.000 0.000) 7.128 11.511 ( 7.459 0.000 0.000) 7.459 12.111 ( 8.136 0.000 0.000) 8.136 13.044 ( -4.620 0.000 0.000) 4.620 13.317 ( -0.374 -0.000 0.000) 0.374 14.439 ( 6.157 0.000 0.000) 6.157 16.498 ( -25.122 0.000 0.000) 25.122 30.524 ( 12.116 0.000 0.000) 12.116 30.847 ( 7.703 0.000 0.000) 7.703 34.200 ( -2.944 0.000 0.000) 2.944 34.436 ( -6.013 0.000 0.000) 6.013 78.077 ( -17.945 0.000 0.000) 17.945 78.233 ( -23.336 0.000 0.000) 23.336 ======================= Grid point 85 (46/240) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.394 ( -8.194 0.000 0.000) 8.194 3.405 ( -13.642 -0.000 0.000) 13.642 3.955 ( -5.671 -0.000 0.000) 5.671 4.138 ( -7.722 0.000 0.000) 7.722 5.934 ( 5.377 0.000 0.000) 5.377 6.194 ( 9.298 0.000 0.000) 9.298 7.104 ( 16.094 0.000 0.000) 16.094 7.599 ( 1.647 0.000 0.000) 1.647 8.846 ( 6.452 0.000 0.000) 6.452 9.168 ( -4.090 0.000 0.000) 4.090 10.816 ( 6.207 0.000 0.000) 6.207 11.119 ( 2.510 0.000 0.000) 2.510 11.692 ( 9.932 0.000 0.000) 9.932 12.213 ( 1.861 0.000 0.000) 1.861 12.995 ( -0.267 0.000 0.000) 0.267 13.284 ( -2.721 0.000 0.000) 2.721 14.620 ( 11.201 0.000 0.000) 11.201 16.011 ( -22.107 0.000 0.000) 22.107 30.757 ( 10.232 0.000 0.000) 10.232 30.981 ( 5.089 0.000 0.000) 5.089 34.152 ( -1.564 0.000 0.000) 1.564 34.319 ( -5.264 0.000 0.000) 5.264 77.757 ( -12.921 0.000 0.000) 12.921 77.827 ( -15.919 0.000 0.000) 15.919 ======================= Grid point 87 (47/240) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.156 ( -9.287 0.000 0.000) 9.287 3.193 ( -9.698 -0.000 0.000) 9.698 3.888 ( -0.636 -0.000 0.000) 0.636 4.003 ( -5.410 0.000 0.000) 5.410 6.040 ( 5.338 0.000 0.000) 5.338 6.249 ( -2.305 0.000 0.000) 2.305 7.411 ( 12.634 0.000 0.000) 12.634 7.639 ( 0.967 -0.000 0.000) 0.967 8.949 ( 3.808 0.000 0.000) 3.808 9.085 ( -3.726 0.000 0.000) 3.726 10.947 ( 6.167 0.000 0.000) 6.167 11.123 ( -1.776 0.000 0.000) 1.776 11.902 ( 9.987 0.000 0.000) 9.987 12.197 ( -3.243 0.000 0.000) 3.243 13.026 ( 3.053 0.000 0.000) 3.053 13.209 ( -4.438 0.000 0.000) 4.438 14.889 ( 14.693 0.000 0.000) 14.693 15.587 ( -19.204 0.000 0.000) 19.204 30.935 ( 6.901 0.000 0.000) 6.901 31.049 ( 1.406 0.000 0.000) 1.406 34.138 ( 0.210 0.000 0.000) 0.210 34.224 ( -3.881 0.000 0.000) 3.881 77.555 ( -6.550 0.000 0.000) 6.550 77.580 ( -8.090 0.000 0.000) 8.090 ======================= Grid point 89 (48/240) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.068 ( -1.258 0.000 0.000) 1.258 3.068 ( 1.258 0.000 0.000) 1.258 3.916 ( -2.995 0.000 0.000) 2.995 3.916 ( 2.995 0.000 0.000) 2.995 6.157 ( -5.703 0.000 0.000) 5.703 6.157 ( 5.703 0.000 0.000) 5.703 7.598 ( -5.412 0.000 0.000) 5.412 7.598 ( 5.412 0.000 0.000) 5.412 9.017 ( -3.086 0.000 0.000) 3.086 9.017 ( 3.086 0.000 0.000) 3.086 11.058 ( -4.418 0.000 0.000) 4.418 11.058 ( 4.418 0.000 0.000) 4.418 12.085 ( -7.434 0.000 0.000) 7.434 12.085 ( 7.434 0.000 0.000) 7.434 13.110 ( -4.851 0.000 0.000) 4.851 13.110 ( 4.851 0.000 0.000) 4.851 15.216 ( -17.007 0.000 0.000) 17.007 15.216 ( 17.007 0.000 0.000) 17.007 31.035 ( -2.797 0.000 0.000) 2.797 31.035 ( 2.797 0.000 0.000) 2.797 34.162 ( -2.110 0.000 0.000) 2.110 34.162 ( 2.110 0.000 0.000) 2.110 77.492 ( -0.537 0.000 0.000) 0.537 77.492 ( 0.537 0.000 0.000) 0.537 ======================= Grid point 165 (49/240) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 0.678 ( 0.000 0.000 32.433) 32.433 0.895 ( 0.000 0.000 42.708) 42.708 1.304 ( 0.000 0.000 62.291) 62.291 3.368 ( 0.000 0.000 -3.679) 3.679 4.282 ( 0.000 0.000 -3.860) 3.860 6.140 ( 0.000 0.000 -5.194) 5.194 7.573 ( 0.000 0.000 6.761) 6.761 7.860 ( 0.000 0.000 2.407) 2.407 8.483 ( 0.000 0.000 -1.393) 1.393 8.566 ( 0.000 0.000 -2.495) 2.495 10.223 ( 0.000 0.000 3.842) 3.842 10.674 ( 0.000 0.000 -0.929) 0.929 11.008 ( 0.000 0.000 0.438) 0.438 11.308 ( 0.000 0.000 -1.418) 1.418 13.012 ( 0.000 0.000 -0.612) 0.612 13.451 ( 0.000 0.000 -3.115) 3.115 17.146 ( 0.000 0.000 -2.098) 2.098 17.299 ( 0.000 0.000 -3.102) 3.102 29.669 ( 0.000 0.000 2.271) 2.271 30.437 ( 0.000 0.000 -2.478) 2.478 33.935 ( 0.000 0.000 3.128) 3.128 35.083 ( 0.000 0.000 -3.947) 3.947 77.608 ( 0.000 0.000 3.140) 3.140 78.839 ( 0.000 0.000 -4.540) 4.540 ======================= Grid point 166 (50/240) ======================= q-point: ( 0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.063 ( 20.231 0.000 29.695) 35.932 1.151 ( 21.956 0.000 32.154) 38.935 1.854 ( 53.286 0.000 34.922) 63.710 3.725 ( 32.264 0.000 -4.256) 32.543 4.200 ( -3.888 0.000 2.041) 4.391 6.106 ( -3.203 0.000 -4.884) 5.841 7.545 ( -2.498 0.000 5.991) 6.491 7.564 ( -9.475 0.000 7.687) 12.201 8.574 ( 8.174 0.000 -0.765) 8.210 9.006 ( 17.718 0.000 -20.694) 27.243 10.024 ( -8.433 0.000 10.203) 13.237 10.571 ( -7.781 0.000 -0.478) 7.796 11.317 ( 13.279 0.000 -9.887) 16.555 11.446 ( 11.335 0.000 -2.176) 11.542 12.968 ( -4.166 0.000 -0.299) 4.176 13.585 ( 6.997 0.000 -10.139) 12.319 16.718 ( -24.351 0.000 19.008) 30.891 17.213 ( -8.163 0.000 -3.065) 8.719 29.723 ( 5.193 0.000 2.230) 5.651 30.759 ( 16.974 0.000 -17.449) 24.343 33.937 ( 0.238 0.000 3.083) 3.092 34.936 ( -8.527 0.000 2.633) 8.924 77.591 ( -1.611 0.000 3.060) 3.458 78.045 ( -38.844 0.000 33.920) 51.569 ======================= Grid point 167 (51/240) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.535 ( 25.315 0.000 17.400) 30.718 1.683 ( 27.966 0.000 20.124) 34.454 3.078 ( 60.086 0.000 17.737) 62.649 4.171 ( 1.825 0.000 2.351) 2.976 4.548 ( 43.704 0.000 -6.640) 44.205 6.022 ( -4.068 0.000 -3.012) 5.061 7.470 ( -1.794 0.000 1.856) 2.581 7.484 ( -3.085 0.000 4.612) 5.549 8.778 ( 10.518 0.000 0.238) 10.521 9.230 ( 6.610 0.000 -16.229) 17.524 9.936 ( -1.206 0.000 7.967) 8.058 10.429 ( -4.997 0.000 -0.047) 4.997 11.467 ( 3.359 0.000 -3.277) 4.693 11.708 ( 13.220 0.000 -3.706) 13.730 12.848 ( -7.306 0.000 0.713) 7.341 13.642 ( -0.945 0.000 -8.038) 8.093 16.333 ( -14.790 0.000 13.507) 20.030 16.972 ( -14.972 0.000 -2.941) 15.258 29.877 ( 9.499 0.000 2.080) 9.724 30.998 ( 7.766 0.000 -12.008) 14.300 33.946 ( 0.622 0.000 2.958) 3.023 34.796 ( -5.718 0.000 0.864) 5.783 77.545 ( -2.797 0.000 2.874) 4.010 77.557 ( -13.151 0.000 20.593) 24.434 ======================= Grid point 168 (52/240) ======================= q-point: ( 0.21 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.068 ( 25.974 0.000 8.688) 27.389 2.257 ( 27.159 0.000 12.961) 30.094 3.943 ( 12.390 0.000 4.801) 13.287 4.569 ( 47.199 0.000 8.820) 48.016 5.280 ( 18.010 0.000 -12.770) 22.078 6.073 ( 16.244 0.000 2.827) 16.489 7.433 ( -1.333 0.000 3.555) 3.797 7.450 ( -0.440 0.000 0.462) 0.638 8.972 ( 7.920 0.000 1.049) 7.989 9.338 ( 4.491 0.000 -13.239) 13.980 9.943 ( 1.568 0.000 7.079) 7.250 10.384 ( 0.533 0.000 -0.159) 0.556 11.506 ( 0.986 0.000 1.461) 1.763 11.968 ( 11.526 0.000 -5.914) 12.955 12.683 ( -8.131 0.000 2.638) 8.549 13.578 ( -4.692 0.000 -6.655) 8.143 16.054 ( -13.028 0.000 7.255) 14.912 16.614 ( -19.324 0.000 -2.699) 19.512 30.104 ( 12.279 0.000 1.768) 12.406 31.121 ( 4.571 0.000 -7.327) 8.636 33.964 ( 1.238 0.000 2.771) 3.035 34.683 ( -5.474 0.000 -0.518) 5.498 77.380 ( -5.481 0.000 10.670) 11.995 77.481 ( -3.333 0.000 2.700) 4.289 ======================= Grid point 169 (53/240) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.590 ( 24.673 0.000 3.867) 24.974 2.782 ( 23.575 0.000 8.367) 25.015 4.027 ( 1.213 0.000 2.253) 2.559 5.263 ( -11.759 0.000 -10.039) 15.462 5.624 ( 48.499 0.000 7.523) 49.079 6.618 ( 25.903 0.000 0.016) 25.903 7.457 ( 1.686 0.000 0.717) 1.832 7.472 ( 7.097 0.000 3.311) 7.832 9.106 ( 5.529 0.000 1.588) 5.753 9.422 ( 3.561 0.000 -12.123) 12.635 9.997 ( 3.771 0.000 7.231) 8.155 10.430 ( 3.249 0.000 -0.513) 3.290 11.523 ( 0.967 0.000 4.236) 4.345 12.141 ( 3.548 0.000 -7.729) 8.504 12.559 ( -1.935 0.000 4.333) 4.746 13.466 ( -5.907 0.000 -7.037) 9.188 15.787 ( -12.871 0.000 3.924) 13.456 16.199 ( -20.499 0.000 -2.293) 20.627 30.369 ( 13.256 0.000 1.258) 13.316 31.192 ( 2.306 0.000 -4.816) 5.340 33.998 ( 2.086 0.000 2.523) 3.274 34.567 ( -5.763 0.000 -0.688) 5.804 77.301 ( -2.635 0.000 6.296) 6.826 77.412 ( -3.253 0.000 2.630) 4.183 ======================= Grid point 170 (54/240) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.079 ( 22.765 0.000 0.540) 22.772 3.217 ( 18.570 0.000 4.935) 19.214 4.038 ( 0.017 0.000 2.620) 2.620 4.947 ( -17.798 0.000 -6.360) 18.901 6.441 ( 28.885 0.000 3.650) 29.115 6.923 ( 5.086 0.000 -1.679) 5.356 7.563 ( 9.920 0.000 2.181) 10.157 7.760 ( 17.837 0.000 2.270) 17.981 9.213 ( 5.036 0.000 1.302) 5.201 9.474 ( 1.302 0.000 -10.607) 10.686 10.103 ( 6.605 0.000 6.557) 9.307 10.491 ( 2.144 0.000 -0.245) 2.158 11.555 ( 2.355 0.000 5.450) 5.937 12.084 ( -7.176 0.000 -2.778) 7.695 12.640 ( 8.099 0.000 -0.642) 8.124 13.340 ( -6.373 0.000 -7.568) 9.894 15.536 ( -11.074 0.000 2.136) 11.278 15.796 ( -18.085 0.000 -1.697) 18.164 30.637 ( 12.501 0.000 0.557) 12.513 31.212 ( -0.456 0.000 -3.288) 3.319 34.051 ( 3.085 0.000 2.192) 3.784 34.447 ( -5.863 0.000 -0.245) 5.868 77.264 ( -1.041 0.000 4.393) 4.515 77.350 ( -2.744 0.000 2.689) 3.842 ======================= Grid point 171 (55/240) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.511 ( 18.113 0.000 -2.869) 18.339 3.538 ( 12.442 0.000 1.831) 12.576 4.036 ( 0.687 0.000 4.181) 4.237 4.558 ( -19.521 0.000 -2.758) 19.715 6.803 ( 8.726 0.000 0.301) 8.731 6.947 ( -1.049 0.000 -1.344) 1.705 7.852 ( 15.469 0.000 3.098) 15.776 8.054 ( 8.702 0.000 1.243) 8.790 9.315 ( 4.805 0.000 -0.514) 4.832 9.469 ( -1.791 0.000 -7.563) 7.772 10.261 ( 8.300 0.000 4.681) 9.529 10.500 ( -1.586 0.000 0.983) 1.866 11.627 ( 4.762 0.000 5.180) 7.037 11.915 ( -8.521 0.000 1.247) 8.612 12.831 ( 9.817 0.000 -4.499) 10.799 13.200 ( -7.460 0.000 -7.458) 10.549 15.356 ( -5.727 0.000 0.981) 5.811 15.481 ( -11.951 0.000 -0.920) 11.986 30.874 ( 10.337 0.000 -0.280) 10.341 31.169 ( -3.769 0.000 -2.165) 4.347 34.125 ( 4.100 0.000 1.738) 4.453 34.328 ( -5.599 0.000 0.439) 5.616 77.255 ( 0.138 0.000 3.539) 3.542 77.301 ( -1.999 0.000 2.854) 3.485 ======================= Grid point 172 (56/240) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.701 ( -1.434 0.000 -2.287) 2.700 3.701 ( 1.434 0.000 -2.287) 2.700 4.181 ( -14.309 0.000 2.276) 14.489 4.181 ( 14.309 0.000 2.276) 14.489 6.907 ( -2.799 0.000 -0.828) 2.918 6.907 ( 2.799 0.000 -0.828) 2.918 8.086 ( -5.261 0.000 1.951) 5.612 8.086 ( 5.261 0.000 1.951) 5.612 9.407 ( -1.841 0.000 -3.817) 4.238 9.407 ( 1.841 0.000 -3.817) 4.238 10.418 ( -4.393 0.000 2.708) 5.161 10.418 ( 4.393 0.000 2.708) 5.161 11.751 ( -4.690 0.000 3.713) 5.982 11.751 ( 4.690 0.000 3.713) 5.982 13.029 ( -8.889 0.000 -6.509) 11.017 13.029 ( 8.889 0.000 -6.509) 11.017 15.324 ( -2.030 0.000 -0.006) 2.030 15.324 ( 2.030 0.000 -0.006) 2.030 31.056 ( -7.216 0.000 -1.192) 7.314 31.056 ( 7.216 0.000 -1.192) 7.314 34.219 ( -4.980 0.000 1.141) 5.109 34.219 ( 4.980 0.000 1.141) 5.109 77.268 ( -0.714 0.000 3.112) 3.193 77.268 ( 0.714 0.000 3.112) 3.193 ======================= Grid point 180 (57/240) ======================= q-point: ( 0.00 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 0.901 ( 0.000 20.277 19.372) 28.044 0.968 ( 0.000 23.022 21.231) 31.317 1.966 ( 0.000 43.603 47.291) 64.325 3.358 ( 0.000 -0.961 -3.572) 3.699 4.278 ( 0.000 4.011 -0.322) 4.024 6.145 ( 0.000 -2.131 -4.256) 4.760 7.461 ( 0.000 -6.211 7.154) 9.474 7.871 ( 0.000 1.025 2.270) 2.491 8.478 ( 0.000 -0.486 -1.442) 1.521 8.581 ( 0.000 -4.558 -9.377) 10.427 9.964 ( 0.000 -1.655 16.366) 16.450 10.992 ( 0.000 -1.439 0.534) 1.535 11.104 ( 0.000 14.129 -20.108) 24.576 11.308 ( 0.000 -0.056 -1.382) 1.383 13.034 ( 0.000 1.856 -0.621) 1.957 13.494 ( 0.000 2.154 -9.402) 9.645 15.815 ( 0.000 -45.857 52.600) 69.783 17.974 ( 0.000 10.845 -22.053) 24.576 29.684 ( 0.000 1.372 2.213) 2.604 30.427 ( 0.000 -0.967 -2.383) 2.572 34.154 ( 0.000 11.249 -8.038) 13.825 34.962 ( 0.000 -7.034 1.992) 7.311 77.523 ( 0.000 6.797 7.279) 9.959 80.305 ( 0.000 59.629 -72.728) 94.048 ======================= Grid point 181 (58/240) ======================= q-point: ( 0.07 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.109 ( 18.474 15.560 13.641) 27.739 1.435 ( 29.151 19.020 19.626) 39.958 2.284 ( 34.425 34.171 35.121) 59.885 3.709 ( 31.609 -1.562 -4.108) 31.913 4.254 ( -1.462 5.987 0.137) 6.165 6.083 ( -4.914 -2.990 -3.570) 6.770 7.434 ( -1.706 -4.744 4.902) 7.032 7.737 ( -7.817 8.283 4.330) 12.184 8.547 ( 8.264 -2.572 -1.789) 8.838 8.891 ( 17.603 -11.084 -15.276) 25.809 9.890 ( -4.754 -0.582 14.672) 15.434 10.767 ( -11.769 8.790 -4.001) 15.224 11.313 ( 10.325 -0.561 -9.634) 14.133 11.444 ( 10.373 -0.538 -2.469) 10.677 12.992 ( -4.132 2.084 -0.255) 4.635 13.576 ( 4.711 -1.334 -11.706) 12.689 15.862 ( 2.676 -40.453 38.066) 55.612 17.702 ( -21.334 15.411 -13.464) 29.562 29.738 ( 5.211 1.396 2.168) 5.814 30.632 ( 14.492 -7.789 -7.864) 18.235 34.104 ( -3.715 10.324 -3.399) 11.487 34.888 ( -5.458 -3.585 2.154) 6.876 77.505 ( -1.675 6.765 7.010) 9.885 79.329 ( -63.869 69.581 -19.986) 96.541 ======================= Grid point 182 (59/240) ======================= q-point: ( 0.14 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.575 ( 25.187 8.788 6.536) 27.465 1.945 ( 22.658 19.445 20.637) 36.295 3.263 ( 53.033 16.215 17.250) 58.078 4.247 ( 2.913 7.297 0.838) 7.902 4.521 ( 42.840 -2.697 -6.353) 43.392 5.973 ( -5.077 -4.710 -2.187) 7.263 7.409 ( -0.719 -4.042 2.839) 4.992 7.596 ( -6.177 7.560 3.431) 10.348 8.759 ( 10.994 -2.000 -0.758) 11.200 9.167 ( 9.591 -7.904 -15.573) 19.924 9.831 ( -0.581 -1.681 12.270) 12.399 10.577 ( -6.309 8.970 -2.767) 11.310 11.448 ( 3.703 -1.702 -3.418) 5.319 11.701 ( 13.546 -0.786 -3.414) 13.992 12.871 ( -7.335 2.216 0.759) 7.700 13.612 ( -1.174 -2.919 -9.768) 10.262 15.867 ( -2.599 -29.847 20.480) 36.291 17.238 ( -22.855 13.324 -7.068) 27.383 29.892 ( 9.495 1.415 2.036) 9.813 30.889 ( 9.953 -8.446 -8.156) 15.392 34.040 ( -2.153 7.187 0.746) 7.540 34.778 ( -5.186 -1.582 0.360) 5.433 77.459 ( -2.710 6.575 6.248) 9.467 78.324 ( -33.634 47.502 2.913) 58.277 ======================= Grid point 183 (60/240) ======================= q-point: ( 0.21 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.102 ( 25.559 4.649 2.780) 26.126 2.407 ( 22.213 12.983 15.599) 30.088 4.002 ( 9.796 5.044 3.378) 11.525 4.672 ( 45.570 9.470 8.049) 47.234 5.255 ( 18.979 -2.316 -12.153) 22.655 5.993 ( 14.180 -7.566 3.519) 16.453 7.400 ( -0.137 -4.360 2.475) 5.015 7.487 ( -3.820 4.394 2.332) 6.272 8.960 ( 8.026 -1.338 0.104) 8.138 9.312 ( 5.084 -4.292 -13.620) 15.158 9.864 ( 3.570 -1.684 10.245) 10.979 10.514 ( -0.006 8.927 -2.427) 9.251 11.502 ( 1.951 -0.431 1.219) 2.341 11.966 ( 11.665 -0.263 -5.521) 12.908 12.706 ( -8.079 2.332 2.530) 8.781 13.547 ( -4.667 -2.989 -8.252) 9.941 15.760 ( -7.357 -21.438 11.344) 25.346 16.768 ( -22.855 9.068 -4.848) 25.061 30.118 ( 12.237 1.377 1.753) 12.439 31.052 ( 6.213 -5.873 -5.955) 10.419 34.016 ( -0.300 4.312 1.944) 4.739 34.670 ( -5.391 -1.197 -0.687) 5.565 77.399 ( -2.935 6.016 5.207) 8.480 77.833 ( -16.573 26.049 4.085) 31.143 ======================= Grid point 184 (61/240) ======================= q-point: ( 0.29 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.615 ( 24.107 2.289 0.829) 24.230 2.846 ( 20.108 6.291 10.572) 23.573 4.057 ( -0.019 2.596 1.174) 2.849 5.247 ( -11.529 -1.659 -9.161) 14.818 5.664 ( 44.805 3.589 6.719) 45.448 6.513 ( 25.404 -9.635 1.096) 27.192 7.413 ( 2.310 -4.076 2.121) 5.143 7.487 ( 5.370 1.297 2.583) 6.098 9.090 ( 4.955 -1.559 0.504) 5.219 9.390 ( 2.676 -4.282 -11.037) 12.137 9.969 ( 6.452 0.935 7.830) 10.189 10.553 ( 3.000 9.194 -2.441) 9.974 11.539 ( 1.810 1.296 4.138) 4.698 12.145 ( 4.234 0.303 -7.273) 8.421 12.581 ( -2.396 2.238 4.122) 5.267 13.438 ( -5.591 -2.658 -8.181) 10.259 15.582 ( -9.485 -15.509 6.779) 19.402 16.302 ( -22.113 6.388 -3.632) 23.302 30.383 ( 13.154 1.244 1.281) 13.275 31.150 ( 3.370 -3.712 -4.193) 6.536 34.025 ( 1.173 2.368 2.138) 3.399 34.555 ( -5.737 -1.129 -0.747) 5.894 77.342 ( -2.530 4.968 4.229) 6.997 77.577 ( -9.246 13.491 3.346) 16.694 ======================= Grid point 185 (62/240) ======================= q-point: ( 0.36 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.091 ( 22.067 0.592 -0.692) 22.086 3.224 ( 16.404 1.187 6.177) 17.568 4.042 ( -1.281 0.176 1.756) 2.180 4.936 ( -17.497 -1.198 -5.310) 18.324 6.395 ( 24.601 -4.151 3.423) 25.182 6.819 ( 5.212 -9.290 -0.802) 10.683 7.555 ( 12.148 -1.235 2.943) 12.560 7.731 ( 16.194 -2.263 2.151) 16.492 9.179 ( 3.950 -2.888 -0.109) 4.894 9.426 ( 0.811 -5.320 -7.747) 9.433 10.124 ( 8.501 3.826 4.958) 10.558 10.606 ( 1.574 9.082 -1.853) 9.402 11.583 ( 2.674 2.496 5.199) 6.357 12.110 ( -6.093 2.370 -2.407) 6.967 12.648 ( 7.581 0.886 -0.562) 7.654 13.322 ( -5.695 -1.694 -8.281) 10.192 15.393 ( -8.274 -10.664 4.107) 14.109 15.872 ( -19.370 4.605 -2.443) 20.059 30.647 ( 12.315 0.970 0.624) 12.369 31.188 ( 0.279 -2.144 -2.921) 3.634 34.063 ( 2.494 1.064 1.980) 3.357 34.436 ( -5.794 -1.048 -0.280) 5.895 77.299 ( -1.612 3.579 3.510) 5.266 77.430 ( -5.457 6.817 3.030) 9.243 ======================= Grid point 186 (63/240) ======================= q-point: ( 0.43 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.497 ( 14.664 -2.814 -0.257) 14.933 3.521 ( 13.769 -0.345 -0.687) 13.791 4.019 ( 0.145 -1.651 3.668) 4.025 4.554 ( -19.095 -0.539 -1.615) 19.171 6.701 ( 7.591 -8.983 0.923) 11.797 6.840 ( -1.326 -9.404 -0.670) 9.521 7.859 ( 14.570 -0.023 2.818) 14.840 8.016 ( 9.304 -3.351 1.598) 10.017 9.254 ( 3.264 -4.737 -2.209) 6.162 9.425 ( -0.770 -5.189 -3.822) 6.490 10.307 ( 8.861 5.318 2.013) 10.529 10.601 ( -2.311 8.116 -0.166) 8.440 11.653 ( 3.998 2.591 4.072) 6.267 11.964 ( -7.030 4.387 2.678) 8.708 12.833 ( 9.684 0.252 -4.665) 10.752 13.196 ( -6.872 -0.442 -7.810) 10.412 15.272 ( -2.813 -6.068 1.940) 6.964 15.524 ( -13.903 2.430 -0.878) 14.141 30.879 ( 10.048 0.517 -0.167) 10.063 31.159 ( -3.228 -0.979 -1.903) 3.873 34.127 ( 3.702 0.163 1.612) 4.041 34.319 ( -5.447 -0.840 0.395) 5.526 77.279 ( -0.323 2.363 2.988) 3.823 77.343 ( -3.043 3.687 3.104) 5.700 ======================= Grid point 187 (64/240) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.659 ( 0.000 -3.865 -2.185) 4.440 3.680 ( 0.000 -2.477 -2.097) 3.245 4.123 ( 0.000 -2.872 0.889) 3.006 4.227 ( -0.000 1.595 4.243) 4.533 6.794 ( 0.000 -9.368 -0.285) 9.373 6.798 ( -0.000 -10.031 0.045) 10.031 8.046 ( 0.000 -3.006 1.291) 3.272 8.088 ( -0.000 -0.900 2.481) 2.639 9.295 ( -0.000 -6.185 -4.603) 7.710 9.410 ( 0.000 -4.175 -0.802) 4.252 10.439 ( 0.000 5.411 -1.335) 5.573 10.540 ( 0.000 7.658 2.867) 8.177 11.716 ( 0.000 1.082 1.174) 1.596 11.869 ( 0.000 6.635 6.647) 9.391 13.010 ( -0.000 -0.625 -7.529) 7.555 13.051 ( 0.000 0.872 -5.943) 6.006 15.277 ( 0.000 -2.631 -0.862) 2.769 15.341 ( 0.000 -0.027 1.745) 1.746 31.048 ( -0.000 -0.371 -1.257) 1.311 31.061 ( 0.000 0.137 -0.764) 0.776 34.213 ( -0.000 -0.509 1.014) 1.134 34.216 ( 0.000 -0.394 1.118) 1.185 77.280 ( 0.000 1.794 2.453) 3.039 77.307 ( 0.000 2.874 3.522) 4.546 ======================= Grid point 195 (65/240) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.496 ( 0.000 25.661 11.145) 27.976 1.575 ( 0.000 37.975 -10.142) 39.306 2.904 ( 0.000 44.156 34.791) 56.215 3.326 ( 0.000 -2.214 -3.261) 3.941 4.444 ( 0.000 9.975 -5.187) 11.243 6.049 ( 0.000 -6.124 -0.212) 6.128 7.334 ( 0.000 -6.448 8.188) 10.422 7.901 ( 0.000 1.745 1.902) 2.581 8.395 ( 0.000 -11.009 -6.404) 12.736 8.464 ( 0.000 -0.804 -1.575) 1.768 10.095 ( 0.000 10.269 7.543) 12.742 10.953 ( 0.000 -2.125 0.803) 2.271 11.227 ( 0.000 0.800 -14.107) 14.130 11.304 ( 0.000 -0.366 -1.290) 1.341 13.069 ( 0.000 0.789 -1.499) 1.694 13.506 ( 0.000 -0.552 -11.900) 11.913 15.211 ( 0.000 -17.818 41.436) 45.104 18.040 ( 0.000 -1.094 -15.960) 15.998 29.724 ( 0.000 2.363 2.050) 3.129 30.398 ( 0.000 -1.708 -2.123) 2.725 34.309 ( 0.000 4.482 -5.396) 7.014 34.852 ( 0.000 -3.795 0.558) 3.836 77.825 ( 0.000 20.351 4.512) 20.845 80.874 ( 0.000 4.228 -43.931) 44.134 ======================= Grid point 196 (66/240) ======================= q-point: ( 0.07 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.644 ( 9.918 31.251 -5.309) 33.214 1.897 ( 27.850 24.459 8.144) 37.949 3.070 ( 17.955 38.134 28.916) 51.114 3.661 ( 30.263 -2.897 -3.390) 30.590 4.438 ( -0.367 10.410 -4.664) 11.413 5.980 ( -6.001 -6.334 -0.187) 8.727 7.318 ( -1.334 -6.600 7.512) 10.088 7.874 ( -3.754 4.935 1.359) 6.348 8.428 ( 7.440 -9.972 -3.276) 12.866 8.679 ( 14.682 -5.901 -5.101) 16.626 10.033 ( -4.631 11.125 7.134) 14.004 10.863 ( -7.587 1.457 -2.125) 8.013 11.288 ( 6.263 -1.846 -9.147) 11.239 11.422 ( 9.311 -1.307 -1.572) 9.533 13.040 ( -3.135 1.949 -0.801) 3.778 13.525 ( 1.136 -3.113 -12.863) 13.283 15.256 ( 3.549 -19.869 35.955) 41.233 17.849 ( -17.093 1.557 -13.562) 21.875 29.779 ( 5.252 2.385 2.019) 6.111 30.505 ( 9.196 -4.558 -3.188) 10.747 34.266 ( -3.751 5.244 -3.599) 7.384 34.817 ( -3.093 -2.973 0.115) 4.292 77.796 ( -2.690 19.501 4.368) 20.164 80.252 ( -50.867 20.362 -27.432) 61.274 ======================= Grid point 197 (67/240) ======================= q-point: ( 0.14 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.919 ( 16.362 22.751 -6.278) 28.718 2.410 ( 19.984 24.016 15.980) 35.092 3.664 ( 35.406 19.703 13.874) 42.828 4.428 ( 32.584 -1.955 -5.489) 33.101 4.476 ( 14.943 10.056 -1.377) 18.064 5.834 ( -7.460 -8.100 0.568) 11.027 7.288 ( -1.404 -7.436 6.988) 10.300 7.751 ( -7.539 6.349 0.447) 9.867 8.650 ( 12.238 -9.708 -1.545) 15.697 8.976 ( 12.888 -6.108 -6.903) 15.845 9.958 ( -1.867 11.338 6.373) 13.140 10.722 ( -4.873 4.833 -3.372) 7.647 11.400 ( 4.378 -2.855 -3.942) 6.546 11.674 ( 14.008 -1.691 -2.671) 14.360 12.936 ( -6.665 3.781 0.602) 7.687 13.522 ( -1.768 -5.448 -12.764) 13.990 15.316 ( 1.577 -21.741 25.508) 33.553 17.412 ( -23.919 4.059 -9.745) 26.145 29.933 ( 9.499 2.423 1.923) 9.990 30.718 ( 10.432 -7.166 -4.038) 13.284 34.181 ( -3.965 5.617 -0.823) 6.924 34.737 ( -4.490 -2.149 -0.717) 5.029 77.720 ( -4.607 17.130 3.983) 18.180 79.187 ( -47.029 30.214 -8.006) 56.469 ======================= Grid point 198 (68/240) ======================= q-point: ( 0.21 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.291 ( 19.255 13.406 -5.428) 24.082 2.758 ( 14.923 19.814 16.650) 29.875 4.115 ( 5.201 4.596 -0.835) 6.990 4.927 ( 39.482 13.354 5.628) 42.058 5.197 ( 21.742 -2.411 -9.047) 23.673 5.768 ( 8.712 -13.402 5.470) 16.895 7.267 ( -0.415 -8.144 6.856) 10.653 7.593 ( -6.892 4.972 0.005) 8.499 8.879 ( 9.359 -7.611 -0.747) 12.086 9.178 ( 6.572 -5.130 -7.391) 11.141 9.974 ( 3.521 10.588 5.341) 12.371 10.684 ( 1.175 6.960 -3.905) 8.067 11.483 ( 3.902 -1.526 0.414) 4.210 11.952 ( 12.256 -1.162 -4.532) 13.119 12.784 ( -7.493 5.100 2.202) 9.328 13.456 ( -4.346 -5.549 -11.814) 13.756 15.308 ( -2.249 -20.223 17.155) 26.614 16.905 ( -24.878 3.946 -7.002) 26.144 30.159 ( 12.133 2.379 1.710) 12.482 30.913 ( 8.290 -6.737 -3.676) 11.297 34.115 ( -2.370 4.590 0.747) 5.220 34.636 ( -5.280 -1.945 -1.085) 5.730 77.615 ( -5.399 13.748 3.482) 15.175 78.391 ( -30.632 23.930 -0.283) 38.872 ======================= Grid point 199 (69/240) ======================= q-point: ( 0.29 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.694 ( 19.651 5.715 -4.063) 20.864 3.043 ( 12.866 12.206 13.221) 22.120 4.111 ( -2.891 1.748 -2.108) 3.982 5.189 ( -11.771 -3.999 -5.017) 13.406 5.751 ( 35.448 4.075 4.734) 35.994 6.249 ( 25.387 -14.414 2.702) 29.318 7.293 ( 3.965 -7.103 5.593) 9.872 7.523 ( 1.801 1.963 0.796) 2.781 9.025 ( 4.929 -5.513 -0.589) 7.419 9.260 ( 1.943 -5.792 -6.335) 8.801 10.094 ( 7.711 9.893 3.486) 13.019 10.745 ( 3.841 8.504 -4.516) 10.367 11.563 ( 3.949 0.745 3.787) 5.522 12.149 ( 6.019 -0.131 -5.990) 8.493 12.662 ( -3.237 5.678 3.388) 7.362 13.359 ( -4.677 -4.715 -11.087) 12.924 15.237 ( -4.202 -16.255 11.639) 20.429 16.404 ( -23.572 3.107 -4.968) 24.289 30.419 ( 12.873 2.154 1.335) 13.121 31.054 ( 5.369 -5.066 -2.875) 7.922 34.085 ( -0.549 3.023 1.365) 3.362 34.522 ( -5.683 -1.914 -0.894) 6.063 77.505 ( -5.129 10.068 3.011) 11.693 77.893 ( -18.603 15.010 2.030) 23.989 ======================= Grid point 200 (70/240) ======================= q-point: ( 0.36 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.087 ( 18.088 -0.678 -2.207) 18.235 3.289 ( 11.158 4.910 7.535) 14.331 4.033 ( -4.194 -1.333 -0.476) 4.427 4.885 ( -16.799 -4.055 -1.287) 17.330 6.282 ( 15.847 -6.402 2.860) 17.329 6.578 ( 6.437 -12.459 1.560) 14.110 7.487 ( 15.027 -5.304 2.809) 16.181 7.690 ( 12.665 -1.596 2.521) 13.012 9.098 ( 2.559 -5.142 -1.224) 5.873 9.277 ( 0.057 -7.132 -3.997) 8.176 10.275 ( 9.557 9.599 1.155) 13.594 10.806 ( 1.378 9.135 -4.349) 10.211 11.646 ( 4.164 3.181 5.143) 7.342 12.174 ( -3.022 3.236 -2.214) 4.950 12.689 ( 5.530 3.384 -0.289) 6.489 13.270 ( -4.101 -3.244 -10.247) 11.504 15.157 ( -2.957 -11.053 7.703) 13.793 15.945 ( -20.792 2.303 -2.986) 21.132 30.676 ( 11.803 1.673 0.797) 11.948 31.130 ( 1.943 -3.233 -2.040) 4.288 34.091 ( 1.162 1.502 1.484) 2.410 34.405 ( -5.604 -1.781 -0.368) 5.891 77.410 ( -3.889 6.769 2.652) 8.245 77.598 ( -10.691 8.430 2.717) 13.883 ======================= Grid point 201 (71/240) ======================= q-point: ( 0.43 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.400 ( 11.191 -6.033 1.158) 12.767 3.510 ( 9.656 -1.428 -1.840) 9.933 3.971 ( -0.158 -2.693 3.025) 4.053 4.522 ( -17.872 -2.913 1.858) 18.203 6.476 ( 5.177 -11.447 1.834) 12.696 6.607 ( -1.497 -11.514 1.380) 11.693 7.806 ( 12.880 -5.843 0.916) 14.173 7.939 ( 9.592 -3.589 2.903) 10.645 9.141 ( 1.648 -5.966 -2.422) 6.646 9.270 ( -0.570 -8.121 -1.322) 8.248 10.472 ( 9.255 9.416 -1.202) 13.257 10.787 ( -3.245 8.833 -2.801) 9.818 11.736 ( 4.327 5.085 3.420) 7.501 12.078 ( -5.096 5.936 3.787) 8.692 12.846 ( 8.820 1.118 -4.967) 10.184 13.176 ( -5.423 -1.491 -8.891) 10.520 15.143 ( 2.144 -5.743 4.153) 7.404 15.560 ( -16.228 1.070 -0.520) 16.272 30.894 ( 9.265 0.887 0.132) 9.308 31.131 ( -1.877 -1.571 -1.244) 2.746 34.131 ( 2.710 0.225 1.294) 3.011 34.295 ( -5.030 -1.413 0.278) 5.232 77.351 ( -1.725 4.383 2.310) 5.246 77.437 ( -5.259 4.819 3.065) 7.764 ======================= Grid point 202 (72/240) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.534 ( 0.000 -8.053 -2.180) 8.343 3.594 ( 0.000 -5.892 -0.933) 5.965 4.062 ( 0.000 -2.969 0.799) 3.075 4.239 ( 0.000 -0.599 6.705) 6.732 6.540 ( 0.000 -13.080 1.048) 13.122 6.570 ( 0.000 -10.846 1.826) 10.998 7.945 ( 0.000 -6.902 -0.011) 6.902 8.041 ( 0.000 -3.748 3.042) 4.827 9.160 ( 0.000 -6.534 -3.259) 7.302 9.262 ( 0.000 -8.405 0.148) 8.407 10.611 ( 0.000 9.760 -4.488) 10.743 10.710 ( 0.000 8.065 0.401) 8.075 11.793 ( 0.000 5.878 0.388) 5.891 12.012 ( 0.000 6.656 7.960) 10.376 13.002 ( -0.000 -0.235 -8.534) 8.537 13.060 ( 0.000 -0.044 -6.191) 6.191 15.226 ( 0.000 -1.944 -0.422) 1.989 15.328 ( 0.000 -1.015 3.644) 3.783 31.041 ( -0.000 -0.288 -0.940) 0.983 31.061 ( 0.000 -0.097 -0.141) 0.171 34.199 ( -0.000 -0.776 0.781) 1.101 34.203 ( 0.000 -0.724 0.958) 1.201 77.337 ( 0.000 3.427 1.836) 3.888 77.379 ( 0.000 3.779 3.525) 5.168 ======================= Grid point 210 (73/240) ======================= q-point: ( 0.00 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.000 ( 0.000 21.918 5.730) 22.655 2.376 ( 0.000 37.451 -18.010) 41.556 3.263 ( 0.000 -3.863 -2.772) 4.754 3.730 ( 0.000 31.893 19.954) 37.620 4.641 ( 0.000 9.169 -6.188) 11.062 5.914 ( 0.000 -6.619 5.614) 8.679 7.199 ( 0.000 -5.842 11.445) 12.850 7.940 ( 0.000 1.871 1.426) 2.352 8.160 ( 0.000 -11.107 -3.751) 11.723 8.447 ( 0.000 -0.839 -1.757) 1.947 10.313 ( 0.000 9.850 1.355) 9.943 10.909 ( 0.000 -1.946 1.168) 2.270 11.213 ( 0.000 -1.366 -10.306) 10.396 11.293 ( 0.000 -0.636 -1.177) 1.338 13.047 ( 0.000 -2.885 -5.967) 6.628 13.502 ( 0.000 0.685 -7.613) 7.644 14.937 ( 0.000 -9.716 31.534) 32.997 17.991 ( 0.000 -2.922 -14.359) 14.653 29.778 ( 0.000 2.619 1.823) 3.191 30.358 ( 0.000 -1.965 -1.775) 2.648 34.372 ( 0.000 1.924 -2.672) 3.293 34.791 ( 0.000 -2.150 -1.653) 2.712 78.331 ( 0.000 27.192 3.435) 27.408 80.726 ( 0.000 -15.455 -22.720) 27.478 ======================= Grid point 211 (74/240) ======================= q-point: ( 0.07 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.258 ( 16.517 24.581 0.367) 29.618 2.468 ( 13.250 30.789 -10.615) 35.159 3.569 ( 26.915 -3.453 -2.453) 27.246 3.797 ( 7.858 25.848 15.862) 31.329 4.652 ( 1.457 10.349 -4.900) 11.543 5.842 ( -6.551 -6.470 5.698) 10.828 7.173 ( -2.273 -6.535 11.108) 13.087 7.949 ( -2.382 1.893 -0.275) 3.055 8.190 ( 6.733 -10.741 -1.132) 12.727 8.618 ( 13.889 -1.447 -2.680) 14.219 10.275 ( -3.064 11.042 1.056) 11.507 10.864 ( -4.073 -0.853 -0.580) 4.202 11.244 ( 3.740 -1.998 -8.247) 9.273 11.395 ( 8.798 -1.237 -1.200) 8.965 13.048 ( -0.375 -1.500 -5.055) 5.286 13.475 ( -2.512 -1.007 -8.892) 9.294 14.945 ( 0.639 -10.979 29.917) 31.875 17.837 ( -14.313 -1.817 -13.241) 19.583 29.833 ( 5.303 2.651 1.812) 6.199 30.428 ( 6.328 -3.064 -1.983) 7.304 34.342 ( -2.736 2.424 -2.100) 4.216 34.764 ( -2.528 -2.037 -1.694) 3.662 78.279 ( -4.942 25.776 3.358) 26.459 80.356 ( -32.863 -6.848 -17.571) 37.890 ======================= Grid point 212 (75/240) ======================= q-point: ( 0.14 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.462 ( 7.994 27.742 -12.410) 31.425 2.912 ( 20.686 23.118 9.441) 32.427 3.974 ( 13.348 6.777 2.544) 15.185 4.345 ( 40.031 -2.253 -2.288) 40.160 4.755 ( 11.284 13.180 0.284) 17.353 5.667 ( -9.993 -6.901 6.214) 13.641 7.119 ( -2.610 -7.953 10.775) 13.644 7.836 ( -7.461 1.260 -1.429) 7.701 8.417 ( 13.131 -10.004 0.809) 16.528 8.923 ( 13.921 -0.595 -3.783) 14.438 10.221 ( -1.513 12.587 0.405) 12.685 10.788 ( -2.130 1.728 -2.485) 3.702 11.335 ( 4.633 -3.120 -4.591) 7.230 11.635 ( 13.718 -1.856 -2.166) 14.012 13.010 ( -3.605 2.581 -2.154) 4.929 13.409 ( -3.730 -4.559 -11.898) 13.277 14.955 ( 0.107 -13.230 25.795) 28.990 17.445 ( -22.652 -0.147 -10.758) 25.078 29.988 ( 9.532 2.719 1.765) 10.068 30.594 ( 9.240 -4.738 -2.210) 10.617 34.271 ( -3.803 3.164 -0.929) 5.034 34.693 ( -4.298 -1.960 -1.705) 5.022 78.137 ( -8.514 21.979 3.143) 23.779 79.550 ( -41.563 5.690 -8.459) 42.795 ======================= Grid point 213 (76/240) ======================= q-point: ( 0.21 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.646 ( 9.994 19.901 -11.272) 24.959 3.205 ( 9.000 22.134 14.678) 28.042 4.144 ( 1.958 -2.672 -6.817) 7.579 5.095 ( 24.357 1.047 -1.422) 24.421 5.236 ( 33.377 3.373 1.343) 33.574 5.488 ( -0.845 -8.895 8.466) 12.309 7.081 ( -0.509 -8.848 10.487) 13.731 7.671 ( -7.805 2.068 -1.350) 8.187 8.677 ( 11.412 -9.560 0.795) 14.908 9.137 ( 6.353 -0.029 -4.540) 7.809 10.231 ( 2.727 12.783 -0.208) 13.072 10.800 ( 3.180 3.992 -3.799) 6.363 11.438 ( 5.551 -2.568 -0.684) 6.154 11.918 ( 12.822 -1.979 -3.559) 13.453 12.910 ( -5.561 6.369 0.812) 8.494 13.328 ( -3.980 -6.184 -14.035) 15.845 14.948 ( -0.684 -13.936 20.740) 24.997 16.947 ( -25.028 0.512 -8.082) 26.306 30.213 ( 12.016 2.710 1.635) 12.425 30.786 ( 8.996 -5.207 -2.066) 10.598 34.197 ( -3.248 3.190 0.079) 4.554 34.593 ( -5.309 -2.044 -1.504) 5.884 77.943 ( -10.007 16.900 2.835) 19.845 78.753 ( -34.524 10.155 -2.197) 36.054 ======================= Grid point 214 (77/240) ======================= q-point: ( 0.29 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.866 ( 11.062 10.730 -8.251) 17.481 3.335 ( 4.385 14.884 13.082) 20.295 4.102 ( -4.829 -2.843 -5.884) 8.126 5.065 ( -13.478 -8.498 4.553) 16.571 5.811 ( 23.488 1.265 2.919) 23.702 5.972 ( 27.575 -10.448 1.795) 29.542 7.132 ( 6.300 -7.868 8.476) 13.169 7.561 ( -1.340 1.531 -0.529) 2.103 8.868 ( 6.959 -7.974 0.096) 10.585 9.197 ( 0.226 -0.956 -4.446) 4.553 10.329 ( 6.531 11.673 -0.824) 13.401 10.892 ( 4.852 5.288 -5.359) 8.957 11.565 ( 6.662 -0.550 3.278) 7.445 12.134 ( 7.663 -1.305 -4.375) 8.920 12.810 ( -3.359 7.968 2.049) 8.887 13.251 ( -3.337 -5.341 -14.197) 15.531 14.936 ( -0.166 -12.048 15.755) 19.835 16.439 ( -23.913 0.574 -5.536) 24.552 30.469 ( 12.495 2.480 1.380) 12.813 30.952 ( 6.883 -4.488 -1.627) 8.377 34.143 ( -1.864 2.471 0.693) 3.172 34.479 ( -5.644 -2.102 -1.059) 6.115 77.739 ( -9.470 11.772 2.507) 15.315 78.150 ( -24.126 8.788 0.849) 25.691 ======================= Grid point 215 (78/240) ======================= q-point: ( 0.36 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.088 ( 10.150 1.389 -3.653) 10.877 3.405 ( 2.665 5.298 6.599) 8.872 3.984 ( -5.616 -2.854 -1.286) 6.430 4.753 ( -16.155 -8.741 6.232) 19.396 6.140 ( 9.207 -6.762 2.324) 11.657 6.350 ( 8.743 -8.450 3.082) 12.544 7.354 ( 14.429 -6.897 2.723) 16.223 7.652 ( 9.157 -2.199 2.018) 9.632 8.969 ( 3.296 -6.141 -0.775) 7.012 9.175 ( -1.804 -2.792 -3.350) 4.719 10.488 ( 8.569 10.147 -1.705) 13.390 10.964 ( 1.505 5.588 -6.042) 8.366 11.707 ( 7.052 2.505 5.547) 9.315 12.221 ( 0.799 0.915 -2.144) 2.465 12.794 ( 2.008 6.333 -0.413) 6.657 13.194 ( -2.410 -3.818 -12.813) 13.585 14.954 ( 2.286 -8.009 11.085) 13.865 15.974 ( -21.147 0.675 -2.957) 21.364 30.714 ( 11.096 1.930 0.996) 11.306 31.061 ( 3.634 -3.157 -1.068) 4.931 34.122 ( -0.180 1.379 0.955) 1.687 34.365 ( -5.334 -1.957 -0.469) 5.701 77.565 ( -7.263 7.547 2.215) 10.706 77.753 ( -14.788 5.915 2.126) 16.069 ======================= Grid point 216 (79/240) ======================= q-point: ( 0.43 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.261 ( 6.276 -6.644 1.013) 9.196 3.442 ( 0.485 -5.265 -1.707) 5.556 3.925 ( 1.256 -1.186 4.268) 4.605 4.421 ( -15.482 -6.737 7.024) 18.287 6.258 ( 3.632 -8.673 2.240) 9.666 6.404 ( -1.123 -7.261 3.460) 8.122 7.643 ( 11.517 -8.572 -0.750) 14.376 7.845 ( 7.610 -5.834 3.441) 10.187 9.019 ( 1.800 -4.977 -1.702) 5.559 9.135 ( -1.884 -4.489 -1.693) 5.154 10.667 ( 8.530 8.749 -2.868) 12.551 10.944 ( -3.306 5.879 -4.974) 8.380 11.849 ( 6.435 5.291 4.227) 9.342 12.185 ( -3.426 3.720 3.219) 5.995 12.884 ( 6.136 2.500 -5.206) 8.426 13.135 ( -3.769 -2.351 -10.470) 11.373 15.046 ( 6.883 -3.414 6.536) 10.087 15.576 ( -17.357 0.572 0.031) 17.366 30.915 ( 8.211 1.028 0.504) 8.291 31.097 ( -0.283 -1.644 -0.477) 1.735 34.136 ( 1.543 0.231 0.918) 1.810 34.264 ( -4.454 -1.520 0.137) 4.708 77.450 ( -3.713 4.726 1.911) 6.306 77.530 ( -7.163 3.800 2.712) 8.550 ======================= Grid point 217 (80/240) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.335 ( 0.000 -10.329 -1.627) 10.456 3.431 ( 0.000 -9.464 1.130) 9.532 4.003 ( 0.000 -2.369 2.716) 3.604 4.197 ( 0.000 -3.402 9.327) 9.928 6.304 ( 0.000 -8.606 1.557) 8.746 6.376 ( 0.000 -7.383 4.050) 8.421 7.769 ( 0.000 -9.123 -1.843) 9.307 7.925 ( 0.000 -7.409 3.874) 8.361 9.041 ( 0.000 -4.271 -2.627) 5.014 9.111 ( 0.000 -5.503 -0.361) 5.515 10.807 ( -0.000 8.369 -5.347) 9.932 10.858 ( 0.000 5.879 -2.260) 6.298 11.933 ( 0.000 6.792 0.996) 6.865 12.131 ( 0.000 4.291 7.634) 8.757 12.999 ( -0.000 -0.050 -9.276) 9.276 13.049 ( 0.000 -0.887 -7.152) 7.207 15.206 ( 0.000 0.086 1.021) 1.025 15.306 ( 0.000 -0.962 4.900) 4.993 31.037 ( -0.000 -0.099 -0.373) 0.385 31.057 ( 0.000 -0.294 0.428) 0.520 34.182 ( -0.000 -0.755 0.535) 0.925 34.187 ( 0.000 -0.792 0.721) 1.071 77.414 ( 0.000 3.626 1.516) 3.930 77.454 ( 0.000 3.170 3.158) 4.474 ======================= Grid point 225 (81/240) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.389 ( 0.000 14.593 2.714) 14.843 3.110 ( 0.000 31.957 -18.961) 37.159 3.168 ( 0.000 -4.881 -2.159) 5.337 4.056 ( 0.000 -2.269 -9.706) 9.967 4.937 ( 0.000 19.845 12.721) 23.573 5.757 ( 0.000 -9.063 9.606) 13.207 7.114 ( 0.000 -2.137 15.229) 15.378 7.950 ( 0.000 -8.281 -3.024) 8.816 7.974 ( 0.000 1.234 1.027) 1.605 8.431 ( 0.000 -0.548 -1.921) 1.998 10.485 ( 0.000 6.101 -2.553) 6.613 10.876 ( 0.000 -1.134 1.491) 1.873 11.186 ( 0.000 -1.082 -9.174) 9.238 11.280 ( 0.000 -0.510 -1.085) 1.199 12.971 ( 0.000 -3.570 -11.278) 11.829 13.531 ( 0.000 1.567 -1.561) 2.212 14.783 ( 0.000 -5.071 26.502) 26.983 17.937 ( 0.000 -1.999 -14.243) 14.383 29.826 ( 0.000 1.822 1.608) 2.430 30.321 ( 0.000 -1.418 -1.462) 2.037 34.399 ( 0.000 0.786 -1.561) 1.748 34.758 ( 0.000 -1.062 -2.817) 3.010 78.923 ( 0.000 28.119 1.873) 28.181 80.309 ( 0.000 -22.736 -11.434) 25.449 ======================= Grid point 226 (82/240) ======================= q-point: ( 0.07 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.666 ( 23.339 14.663 2.581) 27.683 3.117 ( 2.019 28.935 -17.354) 33.801 3.472 ( 26.373 -4.500 -2.384) 26.860 4.053 ( 0.499 -2.851 -9.972) 10.384 4.944 ( 0.879 17.556 12.567) 21.608 5.702 ( -5.048 -7.484 9.299) 12.960 7.073 ( -3.565 -2.718 14.872) 15.533 7.897 ( -3.967 -6.371 -3.151) 8.140 8.071 ( 8.304 -0.410 1.835) 8.514 8.596 ( 14.112 -0.782 -2.211) 14.306 10.469 ( -1.242 7.027 -2.855) 7.686 10.840 ( -2.865 -1.187 0.096) 3.103 11.212 ( 2.559 -1.092 -7.652) 8.142 11.372 ( 8.364 -0.899 -1.284) 8.509 12.991 ( 1.674 -3.117 -11.528) 12.058 13.483 ( -4.484 1.173 -1.822) 4.980 14.774 ( -0.876 -5.541 26.051) 26.649 17.798 ( -13.073 -1.588 -13.417) 18.800 29.882 ( 5.373 1.859 1.612) 5.910 30.376 ( 5.087 -1.828 -1.464) 5.601 34.377 ( -2.104 1.017 -1.346) 2.697 34.732 ( -2.519 -1.090 -2.688) 3.841 78.836 ( -8.245 26.205 1.959) 27.541 80.072 ( -21.745 -18.123 -9.510) 29.862 ======================= Grid point 227 (83/240) ======================= q-point: ( 0.14 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.028 ( 5.712 25.102 -11.977) 28.394 3.342 ( 21.266 17.123 1.238) 27.331 3.912 ( 6.091 -10.176 -8.746) 14.736 4.326 ( 34.504 -2.065 -4.388) 34.843 4.984 ( 3.095 8.219 12.710) 15.449 5.574 ( -6.194 -2.024 7.785) 10.152 6.989 ( -4.055 -3.965 14.264) 15.350 7.798 ( -5.508 -3.893 -2.900) 7.342 8.286 ( 11.787 -2.716 2.630) 12.379 8.918 ( 14.999 -0.112 -3.010) 15.299 10.450 ( -0.272 8.642 -3.430) 9.302 10.798 ( -0.278 -0.611 -1.648) 1.780 11.282 ( 4.176 -1.768 -4.904) 6.679 11.600 ( 13.109 -1.358 -2.104) 13.346 13.023 ( 1.086 -1.045 -11.207) 11.308 13.360 ( -6.986 -0.222 -3.215) 7.694 14.750 ( -1.287 -6.487 24.623) 25.496 17.430 ( -21.708 -0.864 -11.316) 24.496 30.039 ( 9.612 1.948 1.602) 9.938 30.517 ( 8.270 -2.597 -1.394) 8.779 34.319 ( -3.334 1.456 -0.821) 3.729 34.659 ( -4.422 -1.206 -2.331) 5.142 78.602 ( -13.902 21.320 2.130) 25.541 79.495 ( -32.153 -8.989 -5.406) 33.821 ======================= Grid point 228 (84/240) ======================= q-point: ( 0.21 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.090 ( 2.233 21.587 -13.965) 25.807 3.620 ( 3.068 13.865 5.142) 15.102 4.013 ( 5.505 -7.139 -6.818) 11.303 5.006 ( -1.855 -13.280 15.592) 20.565 5.138 ( 37.239 -0.481 -2.573) 37.331 5.553 ( 7.486 6.511 3.406) 10.490 6.930 ( -0.957 -5.033 13.115) 14.080 7.677 ( -5.910 -1.064 -2.337) 6.444 8.530 ( 11.413 -4.264 2.342) 12.406 9.144 ( 6.328 0.437 -3.910) 7.452 10.470 ( 2.432 9.290 -3.733) 10.303 10.846 ( 4.711 0.452 -3.117) 5.667 11.389 ( 6.482 -1.754 -1.391) 6.857 11.876 ( 12.853 -1.753 -3.068) 13.329 13.022 ( -1.475 3.594 -6.780) 7.814 13.223 ( -5.540 -3.195 -8.475) 10.617 14.730 ( -0.439 -6.935 22.057) 23.126 16.944 ( -24.759 -0.454 -8.617) 26.220 30.265 ( 11.959 2.003 1.535) 12.223 30.699 ( 9.006 -3.006 -1.156) 9.564 34.248 ( -3.407 1.663 -0.221) 3.797 34.556 ( -5.462 -1.383 -1.804) 5.917 78.289 ( -15.863 15.316 2.233) 22.163 78.829 ( -31.184 -2.025 -1.713) 31.297 ======================= Grid point 229 (85/240) ======================= q-point: ( 0.29 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.134 ( 1.956 14.452 -11.226) 18.404 3.578 ( -5.020 3.935 1.405) 6.532 4.052 ( -2.059 2.041 1.281) 3.170 4.818 ( -13.104 -14.450 15.086) 24.660 5.804 ( 17.693 -0.742 1.094) 17.742 5.853 ( 23.884 -2.187 0.741) 23.996 6.988 ( 7.380 -5.297 9.831) 13.385 7.582 ( -2.396 0.501 -1.547) 2.896 8.737 ( 8.417 -4.152 1.064) 9.446 9.191 ( -0.954 0.041 -4.106) 4.216 10.549 ( 5.172 8.632 -3.654) 10.705 10.959 ( 5.254 1.112 -5.218) 7.487 11.551 ( 9.049 -0.541 2.874) 9.510 12.100 ( 8.461 -1.624 -3.225) 9.199 12.967 ( -3.114 6.399 -0.319) 7.124 13.149 ( -1.906 -4.139 -15.216) 15.883 14.745 ( 2.230 -6.115 18.197) 19.326 16.440 ( -23.716 -0.248 -5.738) 24.402 30.516 ( 12.163 1.885 1.379) 12.385 30.874 ( 7.679 -2.806 -0.776) 8.212 34.185 ( -2.549 1.453 0.272) 2.947 34.440 ( -5.643 -1.483 -1.180) 5.953 77.972 ( -14.516 9.832 2.202) 17.670 78.251 ( -24.433 1.113 0.580) 24.465 ======================= Grid point 230 (86/240) ======================= q-point: ( 0.36 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.161 ( 0.392 5.592 -5.903) 8.141 3.449 ( -7.105 -2.479 -0.914) 7.580 3.974 ( -4.005 3.519 6.056) 8.068 4.527 ( -14.303 -12.132 13.485) 23.100 6.023 ( 6.669 -3.911 3.396) 8.444 6.232 ( 10.012 -3.157 1.871) 10.663 7.221 ( 13.880 -5.172 4.313) 15.427 7.605 ( 4.371 -1.887 -0.156) 4.764 8.873 ( 4.940 -2.891 -0.384) 5.736 9.141 ( -3.257 -0.848 -3.468) 4.833 10.677 ( 6.999 7.365 -3.615) 10.784 11.034 ( 1.745 1.307 -6.443) 6.802 11.748 ( 9.824 1.412 5.644) 11.417 12.217 ( 2.905 -0.855 -1.439) 3.352 12.923 ( -0.800 5.143 -1.187) 5.339 13.123 ( -1.094 -2.618 -14.890) 15.158 14.830 ( 6.136 -3.863 13.320) 15.166 15.981 ( -20.781 0.113 -2.791) 20.968 30.752 ( 10.421 1.495 1.132) 10.589 31.004 ( 4.840 -2.119 -0.336) 5.295 34.147 ( -1.118 0.908 0.566) 1.548 34.329 ( -5.067 -1.387 -0.540) 5.281 77.708 ( -10.826 5.769 2.070) 12.440 77.834 ( -16.098 1.795 1.716) 16.289 ======================= Grid point 231 (87/240) ======================= q-point: ( 0.43 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.152 ( -0.832 -3.166 0.103) 3.275 3.303 ( -6.463 -7.142 -0.857) 9.670 3.936 ( 0.797 2.264 7.360) 7.741 4.257 ( -11.378 -8.199 11.105) 17.889 6.128 ( 4.281 -3.806 3.555) 6.742 6.303 ( -1.249 -2.745 3.273) 4.451 7.490 ( 10.789 -5.228 0.274) 11.993 7.708 ( 4.117 -6.262 1.671) 7.678 8.950 ( 2.860 -1.693 -1.481) 3.638 9.074 ( -2.990 -1.643 -2.417) 4.181 10.824 ( 6.898 5.833 -4.010) 9.884 11.028 ( -2.244 2.184 -5.927) 6.703 11.941 ( 8.540 3.256 5.352) 10.591 12.225 ( -1.852 0.376 2.433) 3.081 12.941 ( 2.490 2.508 -5.330) 6.395 13.088 ( -2.570 -1.836 -11.911) 12.322 15.000 ( 10.349 -1.137 8.204) 13.255 15.587 ( -17.509 0.465 0.383) 17.519 30.935 ( 7.218 0.817 0.811) 7.309 31.066 ( 1.036 -1.169 0.107) 1.565 34.141 ( 0.587 0.206 0.621) 0.879 34.236 ( -3.895 -1.048 0.027) 4.034 77.537 ( -5.638 3.353 1.862) 6.818 77.587 ( -7.973 1.602 2.249) 8.437 ======================= Grid point 232 (88/240) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.144 ( 0.000 -6.709 0.255) 6.714 3.224 ( -0.000 -9.284 2.787) 9.694 3.977 ( 0.000 0.166 6.070) 6.072 4.106 ( 0.000 -4.829 10.580) 11.630 6.194 ( -0.000 -2.110 2.274) 3.102 6.260 ( 0.000 -4.025 4.813) 6.274 7.613 ( 0.000 -4.594 -1.985) 5.005 7.747 ( 0.000 -8.728 3.369) 9.355 8.990 ( 0.000 -0.767 -2.618) 2.728 9.031 ( 0.000 -2.446 -1.162) 2.708 10.945 ( -0.000 4.551 -5.404) 7.065 10.955 ( 0.000 3.328 -4.279) 5.421 12.058 ( -0.000 5.015 2.608) 5.653 12.177 ( 0.000 0.097 6.482) 6.483 13.002 ( -0.000 0.326 -9.487) 9.493 13.029 ( 0.000 -0.940 -8.282) 8.335 15.226 ( -0.000 1.628 2.727) 3.176 15.287 ( 0.000 -0.935 5.033) 5.119 31.037 ( 0.000 0.130 0.230) 0.265 31.050 ( 0.000 -0.377 0.726) 0.818 34.170 ( -0.000 -0.429 0.373) 0.568 34.173 ( 0.000 -0.549 0.493) 0.738 77.480 ( 0.000 2.522 1.591) 2.982 77.504 ( -0.000 1.481 2.582) 2.977 ======================= Grid point 240 (89/240) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.559 ( 0.000 0.000 1.594) 1.594 3.101 ( 0.000 0.000 -1.772) 1.772 3.592 ( 0.000 0.000 -13.081) 13.081 3.861 ( 0.000 0.000 -25.261) 25.261 5.251 ( 0.000 0.000 24.621) 24.621 5.586 ( 0.000 0.000 4.844) 4.844 7.097 ( 0.000 0.000 17.881) 17.881 7.855 ( 0.000 0.000 -3.656) 3.656 7.987 ( 0.000 0.000 0.871) 0.871 8.425 ( 0.000 0.000 -1.989) 1.989 10.552 ( 0.000 0.000 -3.966) 3.966 10.864 ( 0.000 0.000 1.621) 1.621 11.173 ( 0.000 0.000 -9.021) 9.021 11.274 ( 0.000 0.000 -1.049) 1.049 12.929 ( 0.000 0.000 -13.232) 13.232 13.550 ( 0.000 0.000 0.829) 0.829 14.729 ( 0.000 0.000 24.951) 24.951 17.915 ( 0.000 0.000 -14.321) 14.321 29.846 ( 0.000 0.000 1.515) 1.515 30.306 ( 0.000 0.000 -1.331) 1.331 34.407 ( 0.000 0.000 -1.294) 1.294 34.747 ( 0.000 0.000 -3.159) 3.159 79.336 ( 0.000 0.000 0.488) 0.488 79.952 ( 0.000 0.000 -7.109) 7.109 ======================= Grid point 242 (90/240) ======================= q-point: ( 0.07 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.834 ( 24.339 0.000 1.897) 24.413 3.380 ( 23.236 0.000 -3.210) 23.457 3.580 ( -0.931 0.000 -12.534) 12.568 3.876 ( 3.284 0.000 -23.164) 23.395 5.205 ( -4.421 0.000 24.214) 24.614 5.572 ( -1.173 0.000 4.456) 4.608 7.049 ( -4.111 0.000 17.446) 17.923 7.814 ( -3.004 0.000 -3.832) 4.870 8.076 ( 7.413 0.000 1.747) 7.616 8.587 ( 14.182 0.000 -2.117) 14.339 10.547 ( -0.260 0.000 -4.340) 4.348 10.825 ( -2.989 0.000 0.312) 3.005 11.200 ( 2.325 0.000 -7.460) 7.814 11.362 ( 8.155 0.000 -1.337) 8.264 12.953 ( 2.138 0.000 -13.946) 14.109 13.499 ( -4.795 0.000 0.973) 4.892 14.715 ( -1.283 0.000 24.752) 24.785 17.780 ( -12.726 0.000 -13.550) 18.589 29.903 ( 5.417 0.000 1.524) 5.627 30.356 ( 4.728 0.000 -1.289) 4.901 34.387 ( -1.894 0.000 -1.151) 2.217 34.720 ( -2.564 0.000 -2.994) 3.942 79.217 ( -11.195 0.000 0.777) 11.222 79.774 ( -16.566 0.000 -6.067) 17.642 ======================= Grid point 244 (91/240) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.375 ( 18.563 0.000 -2.462) 18.726 3.610 ( 10.236 -0.000 -5.606) 11.670 3.656 ( 0.447 -0.000 -18.820) 18.826 4.278 ( 35.907 0.000 -5.056) 36.261 5.076 ( -7.665 0.000 22.669) 23.930 5.557 ( 0.397 0.000 3.389) 3.413 6.952 ( -4.797 0.000 16.446) 17.131 7.743 ( -3.825 0.000 -3.711) 5.329 8.265 ( 10.473 0.000 2.975) 10.887 8.917 ( 15.486 0.000 -2.815) 15.740 10.549 ( 0.657 0.000 -4.988) 5.031 10.783 ( -0.082 0.000 -1.228) 1.231 11.263 ( 3.941 0.000 -4.864) 6.260 11.585 ( 12.799 0.000 -2.144) 12.977 13.004 ( 2.584 0.000 -15.692) 15.904 13.365 ( -7.827 0.000 1.319) 7.937 14.682 ( -1.700 0.000 24.008) 24.068 17.420 ( -21.402 0.000 -11.520) 24.305 30.061 ( 9.673 0.000 1.527) 9.793 30.489 ( 7.914 0.000 -1.135) 7.995 34.334 ( -3.125 0.000 -0.778) 3.220 34.646 ( -4.524 0.000 -2.544) 5.190 78.904 ( -18.346 0.000 1.401) 18.399 79.320 ( -26.145 0.000 -3.653) 26.399 ======================= Grid point 246 (92/240) ======================= q-point: ( 0.21 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.456 ( -1.117 0.000 -9.948) 10.011 3.591 ( -5.282 -0.000 -19.295) 20.005 4.015 ( 16.839 0.000 6.434) 18.026 4.815 ( -5.504 0.000 21.749) 22.435 5.145 ( 32.900 0.000 -1.590) 32.939 5.625 ( 6.918 0.000 2.093) 7.228 6.878 ( -1.504 0.000 14.372) 14.450 7.659 ( -4.202 0.000 -2.952) 5.135 8.489 ( 10.852 0.000 2.876) 11.227 9.149 ( 6.379 0.000 -3.756) 7.403 10.580 ( 2.372 0.000 -5.213) 5.727 10.841 ( 5.284 0.000 -2.554) 5.869 11.371 ( 6.786 0.000 -1.525) 6.955 11.856 ( 12.717 0.000 -2.971) 13.059 13.052 ( 2.012 0.000 -17.385) 17.501 13.197 ( -7.937 -0.000 1.523) 8.082 14.657 ( -0.389 0.000 22.283) 22.286 16.937 ( -24.630 0.000 -8.793) 26.153 30.287 ( 11.967 0.000 1.481) 12.058 30.666 ( 8.928 0.000 -0.848) 8.968 34.265 ( -3.383 0.000 -0.305) 3.397 34.540 ( -5.563 0.000 -1.917) 5.884 78.499 ( -20.217 0.000 1.936) 20.309 78.758 ( -27.248 0.000 -1.197) 27.274 ======================= Grid point 248 (93/240) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.420 ( -2.377 0.000 -7.927) 8.276 3.457 ( -7.584 -0.000 -15.298) 17.075 4.169 ( -0.820 0.000 9.749) 9.784 4.592 ( -12.425 0.000 20.858) 24.278 5.814 ( 27.212 0.000 -1.237) 27.240 5.819 ( 10.039 -0.000 2.635) 10.379 6.930 ( 7.233 0.000 10.185) 12.492 7.587 ( -2.256 0.000 -2.079) 3.068 8.694 ( 8.825 0.000 1.440) 8.942 9.192 ( -1.334 0.000 -4.021) 4.237 10.650 ( 4.538 0.000 -4.886) 6.668 10.961 ( 5.449 0.000 -4.704) 7.198 11.545 ( 9.943 0.000 2.684) 10.299 12.080 ( 8.663 0.000 -2.861) 9.124 13.057 ( -5.376 0.000 0.835) 5.440 13.085 ( 1.103 -0.000 -17.608) 17.643 14.681 ( 3.048 0.000 18.969) 19.212 16.436 ( -23.566 0.000 -5.795) 24.268 30.538 ( 12.038 0.000 1.361) 12.115 30.843 ( 7.911 0.000 -0.465) 7.924 34.201 ( -2.743 0.000 0.131) 2.747 34.423 ( -5.658 0.000 -1.225) 5.789 78.101 ( -17.886 0.000 2.186) 18.020 78.238 ( -22.661 0.000 0.514) 22.667 ======================= Grid point 250 (94/240) ======================= q-point: ( 0.36 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.287 ( -8.570 0.000 -8.723) 12.229 3.345 ( -5.311 -0.000 -4.115) 6.719 4.072 ( -6.239 0.000 10.637) 12.332 4.342 ( -11.357 0.000 16.839) 20.311 5.983 ( 5.964 0.000 4.437) 7.433 6.202 ( 10.330 0.000 0.750) 10.357 7.163 ( 13.946 0.000 5.367) 14.943 7.584 ( 1.964 0.000 -1.423) 2.425 8.844 ( 5.708 0.000 -0.276) 5.715 9.133 ( -3.703 0.000 -3.516) 5.106 10.763 ( 6.181 0.000 -4.535) 7.666 11.041 ( 2.059 0.000 -6.105) 6.443 11.763 ( 10.830 0.000 5.494) 12.144 12.204 ( 3.427 0.000 -1.002) 3.571 12.981 ( -2.047 0.000 -1.537) 2.559 13.094 ( -0.357 0.000 -15.728) 15.732 14.790 ( 7.575 0.000 14.079) 15.987 15.982 ( -20.510 0.000 -2.725) 20.690 30.769 ( 10.124 0.000 1.172) 10.192 30.981 ( 5.292 0.000 -0.059) 5.292 34.157 ( -1.459 0.000 0.424) 1.519 34.313 ( -4.947 0.000 -0.563) 4.979 77.780 ( -12.952 0.000 2.203) 13.138 77.842 ( -15.602 0.000 1.425) 15.667 ======================= Grid point 252 (95/240) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.132 ( -5.530 0.000 -1.569) 5.748 3.204 ( -7.475 -0.000 0.939) 7.534 3.986 ( -1.369 0.000 9.213) 9.314 4.140 ( -8.076 0.000 12.220) 14.647 6.090 ( 5.062 0.000 4.607) 6.844 6.276 ( -1.530 0.000 2.462) 2.899 7.437 ( 11.462 0.000 2.387) 11.708 7.633 ( 1.477 0.000 -0.617) 1.601 8.935 ( 3.409 0.000 -1.399) 3.685 9.058 ( -3.345 0.000 -2.752) 4.332 10.890 ( 5.835 0.000 -4.670) 7.474 11.047 ( -1.331 0.000 -5.961) 6.108 11.976 ( 9.565 0.000 5.936) 11.258 12.224 ( -1.501 0.000 2.078) 2.563 12.970 ( 0.921 0.000 -5.267) 5.347 13.067 ( -2.191 0.000 -12.587) 12.776 14.989 ( 11.633 0.000 8.772) 14.570 15.592 ( -17.423 0.000 0.475) 17.429 30.945 ( 6.771 0.000 0.931) 6.834 31.053 ( 1.584 0.000 0.319) 1.616 34.143 ( 0.197 0.000 0.508) 0.545 34.224 ( -3.640 0.000 -0.014) 3.640 77.578 ( -6.608 0.000 2.114) 6.938 77.600 ( -7.959 0.000 1.823) 8.165 ======================= Grid point 254 (96/240) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.093 ( -0.909 -2.026 2.413) 3.279 3.093 ( 0.909 2.026 2.413) 3.279 4.015 ( -1.992 -2.951 9.271) 9.931 4.015 ( 1.992 2.951 9.271) 9.931 6.197 ( -4.117 -1.134 3.744) 5.679 6.197 ( 4.117 1.135 3.744) 5.679 7.605 ( -2.413 -3.285 0.600) 4.119 7.605 ( 2.413 3.285 0.600) 4.119 8.996 ( -2.204 -0.649 -2.070) 3.093 8.996 ( 2.204 0.649 -2.070) 3.093 10.992 ( -3.896 -0.000 -5.243) 6.532 10.992 ( 3.896 0.000 -5.243) 6.532 12.143 ( -4.493 -2.141 4.691) 6.840 12.143 ( 4.493 2.141 4.691) 6.840 13.012 ( -2.534 -0.278 -9.100) 9.450 13.012 ( 2.534 0.278 -9.100) 9.450 15.262 ( -14.406 -0.322 4.173) 15.002 15.262 ( 14.406 0.322 4.173) 15.002 31.042 ( -2.574 -0.072 0.648) 2.655 31.042 ( 2.574 0.072 0.648) 2.655 34.166 ( -1.970 -0.006 0.358) 2.002 34.166 ( 1.970 0.006 0.358) 2.002 77.514 ( -0.165 -0.585 1.997) 2.087 77.514 ( 0.165 0.585 1.997) 2.087 ======================= Grid point 330 (97/240) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.320 ( 0.000 0.000 29.811) 29.811 1.736 ( 0.000 0.000 38.877) 38.877 2.529 ( 0.000 0.000 56.196) 56.196 3.253 ( 0.000 0.000 -7.570) 7.570 4.167 ( 0.000 0.000 -7.083) 7.083 5.982 ( 0.000 0.000 -10.297) 10.297 7.751 ( 0.000 0.000 9.882) 9.882 7.931 ( 0.000 0.000 4.386) 4.386 8.440 ( 0.000 0.000 -2.808) 2.808 8.493 ( 0.000 0.000 -4.485) 4.485 10.326 ( 0.000 0.000 5.847) 5.847 10.648 ( 0.000 0.000 -1.438) 1.438 11.022 ( 0.000 0.000 0.985) 0.985 11.267 ( 0.000 0.000 -2.507) 2.507 13.000 ( 0.000 0.000 -0.426) 0.426 13.362 ( 0.000 0.000 -5.351) 5.351 17.090 ( 0.000 0.000 -3.141) 3.141 17.213 ( 0.000 0.000 -4.969) 4.969 29.737 ( 0.000 0.000 4.306) 4.306 30.363 ( 0.000 0.000 -4.623) 4.623 34.030 ( 0.000 0.000 6.036) 6.036 34.966 ( 0.000 0.000 -7.291) 7.291 77.704 ( 0.000 0.000 6.117) 6.117 78.706 ( 0.000 0.000 -8.260) 8.260 ======================= Grid point 331 (98/240) ======================= q-point: ( 0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.654 ( 22.376 0.000 27.191) 35.214 1.861 ( 11.744 0.000 34.927) 36.849 2.749 ( 25.073 0.000 47.369) 53.595 3.595 ( 30.605 0.000 -8.444) 31.748 4.161 ( -0.145 0.000 -4.758) 4.760 5.958 ( -2.058 0.000 -9.614) 9.832 7.697 ( -4.470 0.000 8.100) 9.251 7.715 ( -12.484 0.000 6.858) 14.243 8.552 ( 9.666 0.000 -1.400) 9.767 8.717 ( 13.609 0.000 -9.393) 16.536 10.194 ( -7.983 0.000 7.281) 10.805 10.555 ( -7.112 0.000 -1.004) 7.182 11.212 ( 12.599 0.000 -1.869) 12.736 11.387 ( 9.892 0.000 -3.336) 10.439 12.964 ( -3.331 0.000 0.068) 3.332 13.414 ( 3.744 0.000 -7.643) 8.511 16.906 ( -15.466 0.000 2.700) 15.700 17.129 ( -8.067 0.000 -4.920) 9.449 29.790 ( 5.093 0.000 4.266) 6.643 30.506 ( 11.518 0.000 -9.167) 14.721 34.030 ( 0.082 0.000 5.913) 5.914 34.899 ( -5.597 0.000 -5.142) 7.601 77.683 ( -1.901 0.000 5.866) 6.166 78.389 ( -24.653 0.000 4.330) 25.030 ======================= Grid point 332 (99/240) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.031 ( 15.956 0.000 28.246) 32.441 2.187 ( 18.928 0.000 26.981) 32.959 3.530 ( 42.827 0.000 23.094) 48.657 4.209 ( 8.252 0.000 2.714) 8.687 4.353 ( 38.500 0.000 -12.219) 40.393 5.927 ( 0.653 0.000 -6.317) 6.351 7.537 ( -5.109 0.000 4.469) 6.788 7.597 ( -4.757 0.000 5.745) 7.459 8.782 ( 11.501 0.000 0.016) 11.501 8.941 ( 8.285 0.000 -11.002) 13.772 10.087 ( -2.373 0.000 6.778) 7.181 10.423 ( -4.780 0.000 -0.549) 4.811 11.423 ( 7.728 0.000 -0.885) 7.779 11.613 ( 11.200 0.000 -5.043) 12.283 12.869 ( -5.648 0.000 1.446) 5.830 13.459 ( -0.150 0.000 -9.426) 9.427 16.551 ( -17.660 0.000 6.916) 18.966 16.891 ( -14.739 0.000 -4.737) 15.481 29.940 ( 9.218 0.000 4.078) 10.080 30.747 ( 10.819 0.000 -11.577) 15.845 34.034 ( 0.344 0.000 5.576) 5.587 34.773 ( -6.160 0.000 -3.236) 6.959 77.630 ( -3.196 0.000 5.269) 6.163 77.914 ( -19.152 0.000 12.054) 22.629 ======================= Grid point 333 (100/240) ======================= q-point: ( 0.21 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.373 ( 17.616 0.000 20.610) 27.113 2.602 ( 20.633 0.000 19.400) 28.321 3.999 ( 5.562 0.000 -0.305) 5.571 4.850 ( 48.857 0.000 18.031) 52.078 4.951 ( 14.527 0.000 -18.685) 23.668 6.108 ( 19.750 0.000 0.142) 19.751 7.476 ( -1.262 0.000 2.169) 2.510 7.520 ( -2.127 0.000 4.374) 4.864 8.991 ( 8.445 0.000 0.462) 8.458 9.078 ( 5.422 0.000 -10.827) 12.109 10.082 ( 1.548 0.000 6.302) 6.489 10.377 ( 0.257 0.000 -0.526) 0.586 11.546 ( 4.622 0.000 2.255) 5.143 11.827 ( 9.232 0.000 -6.984) 11.577 12.745 ( -6.032 0.000 3.220) 6.838 13.404 ( -4.834 0.000 -9.733) 10.867 16.199 ( -16.519 0.000 5.904) 17.542 16.540 ( -18.893 0.000 -4.344) 19.386 30.158 ( 11.724 0.000 3.597) 12.264 30.936 ( 7.591 0.000 -9.923) 12.493 34.046 ( 0.870 0.000 5.089) 5.163 34.652 ( -5.601 0.000 -2.611) 6.180 77.558 ( -3.631 0.000 4.655) 5.903 77.614 ( -10.565 0.000 10.470) 14.874 ======================= Grid point 334 (101/240) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.749 ( 18.669 0.000 12.016) 22.202 3.010 ( 18.588 0.000 13.089) 22.734 4.059 ( 1.848 0.000 0.236) 1.863 4.983 ( -7.159 0.000 -16.662) 18.135 5.838 ( 43.670 0.000 12.797) 45.506 6.611 ( 22.340 0.000 -0.841) 22.356 7.485 ( 2.698 0.000 2.048) 3.387 7.554 ( 7.002 0.000 4.082) 8.105 9.130 ( 5.291 0.000 0.105) 5.292 9.173 ( 3.962 0.000 -10.919) 11.616 10.141 ( 4.062 0.000 6.577) 7.730 10.420 ( 3.498 0.000 -0.280) 3.509 11.626 ( 3.333 0.000 5.191) 6.168 11.976 ( 4.721 0.000 -7.694) 9.027 12.642 ( -3.351 0.000 3.627) 4.938 13.279 ( -6.812 0.000 -10.499) 12.515 15.872 ( -15.205 0.000 3.789) 15.670 16.136 ( -19.829 0.000 -3.679) 20.167 30.410 ( 12.395 0.000 2.720) 12.690 31.061 ( 4.487 0.000 -7.582) 8.810 34.072 ( 1.626 0.000 4.490) 4.775 34.541 ( -5.234 0.000 -1.912) 5.573 77.455 ( -5.367 0.000 7.887) 9.540 77.485 ( -3.341 0.000 4.279) 5.429 ======================= Grid point 335 (102/240) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.128 ( 17.748 0.000 4.636) 18.343 3.351 ( 14.234 0.000 7.553) 16.113 4.093 ( 1.559 0.000 2.224) 2.716 4.763 ( -13.042 0.000 -11.278) 17.241 6.542 ( 22.984 0.000 5.755) 23.693 6.882 ( 5.140 0.000 -2.056) 5.536 7.632 ( 12.410 0.000 4.469) 13.190 7.819 ( 16.113 0.000 3.163) 16.421 9.217 ( 3.322 0.000 -1.529) 3.657 9.241 ( 2.558 0.000 -11.038) 11.330 10.248 ( 6.283 0.000 7.191) 9.549 10.501 ( 3.842 0.000 1.460) 4.110 11.689 ( 2.950 0.000 6.848) 7.457 12.008 ( -1.468 0.000 -4.319) 4.562 12.628 ( 2.085 0.000 -0.402) 2.124 13.137 ( -6.828 0.000 -11.425) 13.310 15.582 ( -12.582 0.000 2.074) 12.752 15.748 ( -17.195 0.000 -2.759) 17.415 30.657 ( 11.383 0.000 1.455) 11.476 31.120 ( 1.215 0.000 -5.470) 5.603 34.114 ( 2.491 0.000 3.761) 4.511 34.437 ( -4.944 0.000 -0.836) 5.014 77.378 ( -2.381 0.000 6.208) 6.649 77.423 ( -2.633 0.000 4.211) 4.967 ======================= Grid point 336 (103/240) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.460 ( 13.766 0.000 -1.681) 13.868 3.582 ( 7.824 0.000 2.020) 8.080 4.130 ( 2.507 0.000 4.450) 5.107 4.480 ( -13.730 0.000 -4.582) 14.474 6.815 ( 6.279 0.000 0.798) 6.329 6.915 ( -0.484 0.000 -1.580) 1.653 7.941 ( 14.640 0.000 5.340) 15.583 8.092 ( 8.673 0.000 2.404) 9.000 9.267 ( 1.555 0.000 -4.449) 4.713 9.278 ( 1.026 0.000 -10.168) 10.219 10.391 ( 7.208 0.000 7.579) 10.459 10.555 ( 0.814 0.000 4.479) 4.552 11.754 ( 3.588 0.000 6.526) 7.448 11.938 ( -4.612 0.000 0.738) 4.671 12.715 ( 5.923 0.000 -6.152) 8.540 12.998 ( -6.831 0.000 -11.436) 13.320 15.376 ( -6.930 0.000 0.747) 6.970 15.453 ( -10.893 0.000 -1.667) 11.020 30.869 ( 9.061 0.000 -0.094) 9.062 31.109 ( -2.326 0.000 -3.580) 4.269 34.174 ( 3.327 0.000 2.852) 4.382 34.339 ( -4.567 0.000 0.453) 4.589 77.350 ( -0.537 0.000 5.274) 5.301 77.378 ( -1.746 0.000 4.387) 4.721 ======================= Grid point 337 (104/240) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.643 ( -2.853 0.000 -3.207) 4.292 3.643 ( 2.853 0.000 -3.207) 4.293 4.236 ( -7.077 0.000 2.850) 7.630 4.236 ( 7.077 0.000 2.850) 7.630 6.888 ( -1.719 0.000 -0.807) 1.899 6.888 ( 1.719 0.000 -0.807) 1.899 8.143 ( -3.530 0.000 3.491) 4.965 8.143 ( 3.530 0.000 3.491) 4.965 9.285 ( -0.008 0.000 -7.743) 7.743 9.285 ( 0.008 0.000 -7.743) 7.743 10.518 ( -2.055 0.000 6.857) 7.158 10.518 ( 2.055 0.000 6.857) 7.158 11.840 ( -1.765 0.000 4.385) 4.727 11.840 ( 1.765 0.000 4.385) 4.727 12.854 ( -6.542 0.000 -9.854) 11.827 12.854 ( 6.542 0.000 -9.854) 11.827 15.320 ( -0.627 0.000 -0.476) 0.788 15.320 ( 0.627 0.000 -0.476) 0.788 31.024 ( -5.813 0.000 -1.798) 6.084 31.024 ( 5.813 0.000 -1.798) 6.084 34.250 ( -4.027 0.000 1.733) 4.384 34.250 ( 4.027 0.000 1.733) 4.384 77.352 ( -0.244 0.000 4.732) 4.738 77.352 ( 0.244 0.000 4.732) 4.738 ======================= Grid point 345 (105/240) ======================= q-point: ( 0.00 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.462 ( 0.000 12.640 25.234) 28.223 1.536 ( 0.000 -8.217 36.058) 36.982 2.958 ( 0.000 31.313 46.938) 56.424 3.247 ( 0.000 -0.623 -7.321) 7.348 4.193 ( 0.000 3.085 -6.748) 7.420 6.004 ( 0.000 1.190 -9.098) 9.175 7.664 ( 0.000 -6.112 11.218) 12.775 7.938 ( 0.000 0.661 4.151) 4.203 8.432 ( 0.000 -6.146 -6.068) 8.637 8.434 ( 0.000 -0.597 -2.866) 2.927 10.239 ( 0.000 -2.315 11.014) 11.254 10.825 ( 0.000 9.668 -8.803) 13.075 11.009 ( 0.000 -1.172 1.164) 1.651 11.268 ( 0.000 0.017 -2.475) 2.475 13.019 ( 0.000 1.477 -0.761) 1.662 13.346 ( 0.000 -1.383 -6.431) 6.578 16.499 ( 0.000 -30.676 19.170) 36.173 17.552 ( 0.000 10.246 -18.154) 20.846 29.750 ( 0.000 1.203 4.189) 4.359 30.356 ( 0.000 -0.705 -4.450) 4.505 34.112 ( 0.000 6.357 2.303) 6.761 34.913 ( 0.000 -4.395 -5.612) 7.128 77.697 ( 0.000 5.259 9.469) 10.831 79.311 ( 0.000 41.184 -31.192) 51.663 ======================= Grid point 346 (106/240) ======================= q-point: ( 0.07 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.599 ( 10.274 -3.729 29.340) 31.310 1.893 ( 29.176 8.436 24.513) 39.029 3.103 ( 16.694 26.873 40.601) 51.471 3.586 ( 30.239 -0.714 -7.635) 31.196 4.195 ( 0.537 3.685 -4.974) 6.213 5.964 ( -3.315 0.140 -7.897) 8.566 7.589 ( -5.278 -4.260 9.138) 11.380 7.830 ( -7.792 4.777 4.359) 10.126 8.494 ( 9.467 -4.921 -3.085) 11.107 8.667 ( 13.525 -4.506 -7.289) 16.011 10.146 ( -6.445 -0.966 10.489) 12.348 10.671 ( -9.365 7.068 -4.727) 12.650 11.198 ( 11.763 -1.378 -2.141) 12.036 11.386 ( 9.675 -0.223 -3.193) 10.191 12.985 ( -3.256 1.767 -0.279) 3.715 13.382 ( 2.571 -2.843 -8.099) 8.960 16.427 ( -6.639 -27.373 17.893) 33.369 17.400 ( -13.509 10.050 -14.652) 22.320 29.804 ( 5.119 1.231 4.149) 6.703 30.475 ( 10.055 -2.482 -7.299) 12.670 34.102 ( -0.780 5.731 2.892) 6.467 34.860 ( -4.601 -3.378 -4.430) 7.225 77.674 ( -2.202 5.097 9.154) 10.706 78.955 ( -28.915 39.675 -16.032) 51.645 ======================= Grid point 347 (107/240) ======================= q-point: ( 0.14 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.888 ( 17.210 -4.909 22.225) 28.534 2.424 ( 20.751 15.302 24.664) 35.680 3.676 ( 32.834 11.696 18.410) 39.418 4.263 ( 12.830 4.948 1.404) 13.822 4.345 ( 36.882 0.220 -8.520) 37.854 5.906 ( -0.820 -2.065 -4.469) 4.990 7.502 ( -2.982 -1.481 5.731) 6.628 7.673 ( -7.091 4.553 3.629) 9.176 8.729 ( 11.880 -4.201 -2.224) 12.796 8.912 ( 9.763 -3.312 -8.793) 13.550 10.050 ( -2.274 -0.888 9.184) 9.503 10.512 ( -5.420 6.198 -3.217) 8.839 11.401 ( 7.864 -2.049 -0.971) 8.184 11.613 ( 11.577 -0.107 -4.671) 12.485 12.890 ( -5.717 1.962 1.103) 6.144 13.408 ( -0.675 -4.581 -9.676) 10.727 16.243 ( -10.808 -20.708 14.467) 27.476 17.054 ( -19.154 8.013 -10.046) 23.065 29.954 ( 9.242 1.282 3.977) 10.143 30.700 ( 10.767 -3.896 -9.436) 14.837 34.086 ( -0.697 4.284 3.775) 5.752 34.750 ( -5.599 -2.050 -3.225) 6.779 77.612 ( -3.641 4.690 8.325) 10.225 78.357 ( -26.039 31.514 -0.391) 40.882 ======================= Grid point 348 (108/240) ======================= q-point: ( 0.21 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.279 ( 20.257 -4.185 14.364) 25.183 2.797 ( 16.630 14.409 21.412) 30.703 4.019 ( 4.114 1.273 -2.759) 5.114 4.916 ( 37.663 4.552 5.177) 38.288 4.967 ( 24.241 3.261 -5.073) 24.980 6.050 ( 17.985 -5.549 1.562) 18.886 7.460 ( -1.304 -0.643 3.181) 3.497 7.554 ( -3.782 1.865 3.619) 5.557 8.943 ( 8.400 -3.411 -2.469) 9.396 9.072 ( 6.164 -1.705 -8.524) 10.656 10.051 ( 2.127 -0.930 7.996) 8.326 10.460 ( 0.219 6.218 -2.589) 6.739 11.536 ( 5.565 -1.028 1.919) 5.975 11.834 ( 9.406 0.520 -6.599) 11.502 12.764 ( -6.084 1.932 2.862) 6.995 13.350 ( -4.708 -4.956 -10.163) 12.248 15.999 ( -12.656 -14.873 10.426) 22.138 16.637 ( -21.033 5.560 -7.403) 22.981 30.173 ( 11.726 1.311 3.535) 12.317 30.897 ( 8.180 -3.438 -8.568) 12.335 34.078 ( 0.026 2.757 4.109) 4.949 34.637 ( -5.406 -1.439 -2.669) 6.198 77.532 ( -4.004 4.159 7.253) 9.270 77.924 ( -16.384 20.850 3.896) 26.802 ======================= Grid point 349 (109/240) ======================= q-point: ( 0.29 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.702 ( 20.439 -2.981 8.046) 22.167 3.119 ( 14.470 9.027 15.270) 22.892 4.057 ( 0.906 -0.402 -1.769) 2.028 5.000 ( -6.710 1.717 -14.282) 15.873 5.858 ( 40.363 1.631 11.626) 42.035 6.533 ( 22.104 -7.288 0.684) 23.285 7.465 ( 3.274 -1.465 2.917) 4.623 7.558 ( 5.229 -0.030 3.802) 6.465 9.071 ( 4.260 -3.621 -3.587) 6.643 9.179 ( 4.499 -1.471 -7.672) 9.014 10.126 ( 4.886 0.065 7.183) 8.688 10.505 ( 3.594 6.621 -1.916) 7.774 11.636 ( 4.153 0.743 4.717) 6.328 11.986 ( 5.086 0.957 -7.481) 9.096 12.660 ( -3.491 1.838 3.374) 5.191 13.233 ( -6.215 -4.303 -10.947) 13.304 15.734 ( -12.813 -10.535 7.057) 18.027 16.204 ( -20.629 4.195 -5.577) 21.778 30.423 ( 12.350 1.273 2.718) 12.710 31.034 ( 5.131 -2.350 -6.762) 8.808 34.089 ( 1.008 1.502 3.940) 4.336 34.528 ( -5.165 -1.228 -1.942) 5.653 77.454 ( -3.453 3.481 6.221) 7.921 77.661 ( -9.647 12.232 4.328) 16.168 ======================= Grid point 350 (110/240) ======================= q-point: ( 0.36 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.108 ( 18.693 -1.811 2.775) 18.985 3.382 ( 10.881 2.934 8.600) 14.177 4.073 ( 0.854 -1.816 0.990) 2.238 4.786 ( -12.784 2.171 -8.988) 15.777 6.491 ( 20.001 -4.538 5.595) 21.259 6.802 ( 4.827 -7.152 -0.785) 8.664 7.639 ( 13.436 -0.255 5.016) 14.344 7.788 ( 15.211 -2.448 3.099) 15.715 9.134 ( 2.235 -4.558 -4.975) 7.108 9.259 ( 3.165 -1.719 -7.224) 8.072 10.246 ( 6.639 1.139 6.573) 9.412 10.583 ( 3.473 6.523 -0.069) 7.391 11.708 ( 2.891 1.796 6.233) 7.102 12.037 ( 0.045 2.517 -4.398) 5.067 12.639 ( 1.527 1.122 -0.276) 1.915 13.107 ( -5.889 -2.856 -11.820) 13.511 15.487 ( -10.742 -7.010 4.457) 13.579 15.806 ( -17.633 3.540 -3.722) 18.366 30.669 ( 11.264 1.118 1.532) 11.423 31.106 ( 1.766 -1.261 -4.925) 5.382 34.120 ( 2.047 0.550 3.437) 4.038 34.425 ( -4.879 -1.115 -0.864) 5.079 77.394 ( -2.288 2.568 5.399) 6.401 77.509 ( -5.521 6.614 4.289) 9.624 ======================= Grid point 351 (111/240) ======================= q-point: ( 0.43 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.449 ( 13.620 -1.213 -2.154) 13.843 3.558 ( 5.957 -2.232 1.998) 6.668 4.103 ( 2.512 -2.176 4.236) 5.384 4.507 ( -13.542 2.330 -2.829) 14.029 6.728 ( 5.531 -7.615 1.649) 9.555 6.827 ( -0.787 -7.688 -0.493) 7.744 7.942 ( 13.347 -0.712 5.043) 14.285 8.061 ( 9.314 -2.842 2.703) 10.106 9.171 ( 1.404 -4.832 -5.741) 7.634 9.306 ( 1.375 -2.000 -7.574) 7.954 10.388 ( 6.628 1.360 5.877) 8.962 10.628 ( 0.549 5.576 2.908) 6.313 11.757 ( 1.914 1.304 5.624) 6.082 12.010 ( -1.896 5.553 1.171) 5.984 12.715 ( 5.432 0.017 -6.180) 8.228 12.987 ( -5.967 -1.144 -11.763) 13.239 15.315 ( -5.390 -3.900 2.040) 6.959 15.500 ( -11.556 2.692 -1.471) 11.957 30.878 ( 8.836 0.794 0.069) 8.872 31.105 ( -1.880 -0.336 -3.187) 3.715 34.172 ( 3.013 -0.150 2.658) 4.021 34.328 ( -4.446 -0.943 0.397) 4.562 77.361 ( -0.865 1.648 4.789) 5.138 77.425 ( -2.783 3.687 4.436) 6.404 ======================= Grid point 352 (112/240) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.609 ( 0.000 -3.480 -2.628) 4.361 3.617 ( -0.000 -2.333 -3.612) 4.300 4.174 ( 0.000 -2.544 3.621) 4.426 4.305 ( -0.000 3.199 3.198) 4.524 6.790 ( 0.000 -7.791 -0.041) 7.792 6.802 ( 0.000 -8.337 0.429) 8.348 8.102 ( 0.000 -3.263 4.001) 5.163 8.145 ( 0.000 -1.048 2.952) 3.132 9.187 ( 0.000 -4.604 -5.845) 7.440 9.319 ( 0.000 -2.113 -7.919) 8.196 10.473 ( 0.000 0.844 4.953) 5.024 10.620 ( 0.000 5.288 5.030) 7.299 11.779 ( 0.000 0.323 4.443) 4.454 11.986 ( 0.000 7.562 4.126) 8.614 12.821 ( -0.000 -1.456 -10.089) 10.194 12.879 ( 0.000 0.686 -10.136) 10.159 15.268 ( 0.000 -2.132 -0.061) 2.133 15.367 ( 0.000 1.818 0.623) 1.922 31.018 ( -0.000 -0.054 -1.575) 1.576 31.037 ( 0.000 0.717 -1.478) 1.643 34.241 ( -0.000 -0.720 1.617) 1.770 34.245 ( 0.000 -0.551 1.628) 1.719 77.354 ( 0.000 1.214 4.441) 4.604 77.395 ( 0.000 2.850 4.654) 5.457 ======================= Grid point 360 (113/240) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.608 ( 0.000 15.262 13.389) 20.302 1.793 ( 0.000 17.758 16.855) 24.483 3.225 ( 0.000 -1.574 -6.603) 6.788 3.611 ( 0.000 26.908 27.853) 38.728 4.323 ( 0.000 10.765 -2.176) 10.983 6.019 ( 0.000 0.767 -2.756) 2.861 7.549 ( 0.000 -4.918 11.402) 12.418 7.957 ( 0.000 1.134 3.522) 3.700 8.264 ( 0.000 -8.896 -5.940) 10.696 8.417 ( 0.000 -0.994 -3.021) 3.181 10.263 ( 0.000 3.348 8.180) 8.839 10.955 ( 0.000 2.948 -11.259) 11.639 10.978 ( 0.000 -1.673 1.631) 2.336 11.266 ( 0.000 -0.238 -2.377) 2.389 13.025 ( 0.000 -2.024 -2.420) 3.155 13.332 ( 0.000 1.279 -6.005) 6.140 15.945 ( 0.000 -21.954 28.188) 35.729 17.644 ( 0.000 0.042 -20.921) 20.921 29.785 ( 0.000 2.064 3.866) 4.382 30.335 ( 0.000 -1.258 -3.977) 4.171 34.239 ( 0.000 5.197 -0.940) 5.281 34.814 ( 0.000 -4.638 -4.238) 6.283 77.963 ( 0.000 18.963 8.903) 20.948 79.990 ( 0.000 20.601 -38.266) 43.459 ======================= Grid point 361 (114/240) ======================= q-point: ( 0.07 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.690 ( 8.092 13.765 11.562) 19.714 2.165 ( 30.225 15.739 16.031) 37.660 3.529 ( 25.438 0.658 -3.929) 25.748 3.692 ( 10.464 19.458 18.899) 29.073 4.346 ( 2.889 12.433 0.889) 12.795 5.962 ( -4.928 0.172 -1.697) 5.215 7.511 ( -2.788 -3.925 10.176) 11.257 7.905 ( -5.568 2.604 1.303) 6.284 8.353 ( 9.977 -8.366 -3.238) 13.417 8.580 ( 12.321 -2.766 -4.429) 13.382 10.191 ( -5.496 4.402 7.578) 10.345 10.779 ( -9.035 3.097 -5.815) 11.182 11.155 ( 9.673 -2.544 -2.868) 10.406 11.377 ( 9.203 -0.662 -2.704) 9.615 13.010 ( -1.803 -0.599 -1.925) 2.704 13.325 ( -0.762 -1.136 -7.039) 7.170 15.914 ( -3.025 -21.082 26.091) 33.680 17.503 ( -12.995 0.843 -18.736) 22.817 29.839 ( 5.184 2.105 3.835) 6.783 30.420 ( 7.598 -2.598 -4.973) 9.445 34.222 ( -1.591 5.015 -0.201) 5.265 34.779 ( -3.151 -3.966 -3.905) 6.395 77.930 ( -3.154 18.175 8.549) 20.331 79.658 ( -28.843 23.776 -27.635) 46.485 ======================= Grid point 362 (115/240) ======================= q-point: ( 0.14 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.930 ( 14.801 9.457 8.102) 19.343 2.772 ( 24.478 17.602 18.767) 35.513 3.881 ( 12.328 5.062 0.533) 13.337 4.289 ( 37.103 -0.896 -7.356) 37.836 4.532 ( 19.558 16.526 11.547) 28.088 5.853 ( -4.437 -2.372 0.999) 5.129 7.459 ( -2.102 -3.383 8.628) 9.503 7.757 ( -8.164 3.345 0.026) 8.823 8.609 ( 13.190 -7.603 -2.062) 15.363 8.837 ( 11.386 -2.293 -6.089) 13.114 10.097 ( -2.831 4.901 6.580) 8.680 10.629 ( -4.836 4.584 -5.184) 8.442 11.341 ( 8.133 -3.618 -1.350) 9.004 11.604 ( 12.106 -0.866 -3.848) 12.732 12.941 ( -4.807 2.158 -0.286) 5.277 13.293 ( -2.607 -5.228 -8.923) 10.665 15.820 ( -6.069 -18.730 21.323) 29.023 17.153 ( -19.994 1.728 -14.542) 24.784 29.991 ( 9.312 2.196 3.706) 10.260 30.610 ( 10.111 -4.278 -6.107) 12.563 34.182 ( -2.049 4.362 1.240) 4.977 34.696 ( -4.606 -2.904 -3.383) 6.410 77.840 ( -5.369 15.967 7.628) 18.492 78.983 ( -33.234 24.838 -11.166) 42.966 ======================= Grid point 363 (116/240) ======================= q-point: ( 0.21 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.278 ( 18.437 4.612 4.722) 19.583 3.141 ( 12.841 17.796 19.877) 29.608 4.021 ( 2.216 -1.652 -8.654) 9.085 4.968 ( 21.850 2.361 -10.102) 24.188 5.144 ( 35.975 10.978 12.528) 39.644 5.887 ( 12.106 -9.455 5.590) 16.346 7.428 ( -0.793 -3.341 7.841) 8.560 7.593 ( -6.864 2.229 0.014) 7.217 8.849 ( 9.495 -6.304 -2.277) 11.622 9.020 ( 6.300 -1.795 -7.151) 9.698 10.091 ( 2.293 4.684 5.673) 7.706 10.592 ( 1.095 5.949 -4.620) 7.611 11.498 ( 7.392 -2.609 1.043) 7.909 11.841 ( 10.306 -0.030 -5.653) 11.755 12.827 ( -5.760 3.853 1.549) 7.101 13.216 ( -4.737 -7.071 -10.347) 13.398 15.671 ( -8.186 -15.443 16.307) 23.904 16.715 ( -21.947 1.853 -10.797) 24.529 30.211 ( 11.732 2.253 3.361) 12.410 30.811 ( 9.042 -4.359 -5.932) 11.660 34.145 ( -1.420 3.262 2.306) 4.239 34.596 ( -5.014 -2.306 -2.832) 6.203 77.718 ( -6.209 12.785 6.472) 15.617 78.372 ( -25.455 19.816 -1.828) 32.310 ======================= Grid point 364 (117/240) ======================= q-point: ( 0.29 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.671 ( 19.396 0.608 2.186) 19.529 3.347 ( 7.578 11.877 15.133) 20.676 4.031 ( -0.357 -1.953 -5.123) 5.495 5.060 ( -6.637 4.047 -7.414) 10.743 5.893 ( 32.234 1.383 8.768) 33.434 6.319 ( 22.521 -12.668 3.813) 26.119 7.423 ( 1.144 -3.050 6.100) 6.916 7.550 ( 4.453 -0.362 1.941) 4.871 8.989 ( 4.224 -4.818 -3.225) 7.173 9.113 ( 3.333 -3.558 -7.007) 8.536 10.180 ( 5.940 5.036 4.717) 9.105 10.653 ( 4.096 6.923 -3.979) 8.975 11.644 ( 6.589 -0.158 3.521) 7.472 12.011 ( 6.104 1.228 -6.684) 9.135 12.725 ( -3.801 4.333 2.188) 6.166 13.112 ( -4.972 -6.776 -11.640) 14.357 15.495 ( -8.570 -11.502 12.100) 18.765 16.269 ( -20.985 1.915 -7.611) 22.405 30.460 ( 12.220 2.183 2.702) 12.705 30.972 ( 6.451 -3.331 -4.905) 8.761 34.127 ( -0.272 1.985 2.734) 3.390 34.493 ( -5.006 -2.061 -2.016) 5.777 77.593 ( -5.780 9.266 5.427) 12.195 77.939 ( -16.882 13.085 1.982) 21.451 ======================= Grid point 365 (118/240) ======================= q-point: ( 0.36 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.061 ( 18.215 -2.274 0.163) 18.358 3.458 ( 3.362 3.568 7.395) 8.873 4.028 ( 0.410 -1.829 0.896) 2.078 4.844 ( -13.020 2.987 -2.928) 13.675 6.368 ( 13.847 -6.882 5.365) 16.367 6.616 ( 5.844 -9.789 1.987) 11.573 7.571 ( 13.300 -6.177 5.097) 15.525 7.751 ( 13.129 -1.244 3.069) 13.540 9.043 ( 1.623 -4.440 -4.236) 6.347 9.169 ( 2.073 -5.749 -6.182) 8.693 10.321 ( 7.493 5.768 3.530) 10.094 10.730 ( 2.847 6.916 -2.513) 7.890 11.759 ( 4.406 2.872 5.217) 7.408 12.098 ( 2.671 2.989 -4.845) 6.288 12.682 ( -0.183 3.169 -0.530) 3.218 13.022 ( -3.756 -5.064 -12.681) 14.161 15.334 ( -6.641 -7.085 8.572) 12.953 15.866 ( -17.949 2.084 -4.426) 18.604 30.701 ( 10.930 1.900 1.722) 11.227 31.071 ( 3.062 -1.939 -3.581) 5.095 34.134 ( 1.005 0.769 2.649) 2.936 34.392 ( -4.701 -1.882 -0.932) 5.149 77.488 ( -4.341 6.071 4.678) 8.808 77.665 ( -10.078 7.646 3.406) 13.101 ======================= Grid point 366 (119/240) ======================= q-point: ( 0.43 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.394 ( 13.024 -4.381 -1.554) 13.829 3.495 ( 0.687 -3.641 0.079) 3.707 4.062 ( 3.232 -1.109 5.926) 6.841 4.559 ( -13.811 2.149 1.299) 14.037 6.532 ( 4.151 -10.274 3.544) 11.634 6.641 ( -1.356 -8.894 1.859) 9.187 7.858 ( 11.660 -7.824 4.107) 14.630 7.998 ( 9.191 -3.026 2.671) 10.038 9.072 ( 1.297 -4.826 -4.187) 6.520 9.197 ( 0.715 -7.131 -5.974) 9.330 10.474 ( 6.850 6.354 2.063) 9.568 10.754 ( -0.635 5.997 -0.089) 6.031 11.826 ( 2.184 5.020 4.987) 7.406 12.130 ( 0.620 5.411 0.352) 5.458 12.721 ( 3.766 0.658 -6.458) 7.505 12.946 ( -3.941 -2.745 -12.580) 13.466 15.242 ( -1.917 -2.827 5.023) 6.075 15.547 ( -12.553 1.798 -0.799) 12.707 30.900 ( 8.231 1.334 0.494) 8.353 31.095 ( -0.756 -0.576 -2.181) 2.379 34.168 ( 2.218 -0.264 2.159) 3.107 34.301 ( -4.112 -1.577 0.251) 4.411 77.420 ( -2.144 3.769 4.184) 6.025 77.513 ( -4.849 4.425 3.998) 7.686 ======================= Grid point 367 (120/240) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.494 ( 0.000 -7.374 -1.780) 7.586 3.547 ( 0.000 -4.414 -3.129) 5.411 4.135 ( 0.000 -1.067 5.636) 5.736 4.364 ( 0.000 2.239 5.110) 5.579 6.582 ( 0.000 -11.474 2.852) 11.823 6.611 ( 0.000 -8.400 2.056) 8.648 7.984 ( 0.000 -8.320 3.748) 9.125 8.094 ( 0.000 -3.769 2.133) 4.330 9.088 ( 0.000 -5.095 -3.812) 6.363 9.203 ( 0.000 -7.568 -6.109) 9.726 10.561 ( 0.000 6.830 0.598) 6.856 10.732 ( 0.000 5.120 1.938) 5.475 11.849 ( 0.000 5.821 4.356) 7.270 12.134 ( 0.000 6.352 3.209) 7.117 12.794 ( -0.000 -1.212 -10.729) 10.797 12.877 ( 0.000 -0.915 -10.966) 11.004 15.241 ( 0.000 -0.282 1.738) 1.760 15.394 ( 0.000 0.873 2.552) 2.697 31.022 ( -0.000 0.373 -0.904) 0.978 31.052 ( 0.000 0.671 -0.740) 0.999 34.221 ( -0.000 -1.091 1.319) 1.711 34.228 ( 0.000 -1.008 1.344) 1.681 77.399 ( 0.000 2.886 3.920) 4.868 77.463 ( 0.000 3.423 4.261) 5.466 ======================= Grid point 375 (121/240) ======================= q-point: ( 0.00 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.089 ( 0.000 28.173 -7.615) 29.184 2.163 ( 0.000 16.827 9.778) 19.462 3.178 ( 0.000 -2.974 -5.490) 6.243 3.896 ( 0.000 0.073 -8.815) 8.815 4.736 ( 0.000 27.262 19.682) 33.624 6.046 ( 0.000 1.224 6.408) 6.523 7.456 ( 0.000 -3.493 11.741) 12.250 7.983 ( 0.000 1.233 2.716) 2.983 8.078 ( 0.000 -8.953 -3.692) 9.684 8.395 ( 0.000 -1.046 -3.220) 3.385 10.340 ( 0.000 3.580 1.086) 3.741 10.944 ( 0.000 -1.470 2.209) 2.654 10.969 ( 0.000 -1.175 -12.230) 12.286 11.258 ( 0.000 -0.496 -2.227) 2.282 12.930 ( 0.000 -6.034 -3.872) 7.169 13.410 ( 0.000 5.329 -2.657) 5.955 15.569 ( 0.000 -14.323 27.672) 31.159 17.603 ( 0.000 -3.121 -22.108) 22.327 29.832 ( 0.000 2.273 3.417) 4.104 30.305 ( 0.000 -1.466 -3.343) 3.651 34.322 ( 0.000 2.842 -1.631) 3.276 34.729 ( 0.000 -3.338 -4.433) 5.549 78.439 ( 0.000 25.459 7.183) 26.453 80.181 ( 0.000 -0.862 -27.653) 27.667 ======================= Grid point 376 (122/240) ======================= q-point: ( 0.07 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.124 ( 4.165 25.631 -6.241) 26.706 2.504 ( 28.696 15.945 8.956) 34.028 3.482 ( 26.870 -3.449 -5.924) 27.731 3.898 ( 1.175 -0.902 -9.603) 9.717 4.770 ( 3.804 25.953 19.232) 32.525 5.980 ( -5.954 1.048 6.926) 9.193 7.422 ( -2.712 -3.838 11.463) 12.389 7.932 ( -5.274 -0.964 -1.401) 5.541 8.183 ( 10.478 -6.573 0.813) 12.396 8.547 ( 12.556 -0.859 -4.030) 13.215 10.293 ( -3.755 4.890 0.651) 6.200 10.808 ( -7.077 -0.005 -5.790) 9.144 11.099 ( 7.413 -2.642 -3.817) 8.747 11.357 ( 8.560 -1.180 -2.449) 8.982 12.935 ( 0.195 -5.722 -4.322) 7.174 13.369 ( -3.910 4.580 -2.766) 6.627 15.547 ( -2.177 -14.199 26.437) 30.088 17.477 ( -11.776 -2.513 -20.606) 23.867 29.887 ( 5.273 2.324 3.404) 6.693 30.370 ( 5.945 -2.151 -3.592) 7.272 34.304 ( -1.725 2.883 -1.163) 3.555 34.704 ( -2.386 -3.087 -4.245) 5.766 78.384 ( -5.230 24.184 6.943) 25.699 79.925 ( -23.204 2.762 -22.381) 32.357 ======================= Grid point 377 (123/240) ======================= q-point: ( 0.14 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.257 ( 8.647 20.523 -5.682) 22.984 3.135 ( 27.513 16.349 12.032) 34.191 3.857 ( 4.239 -6.595 -13.659) 15.749 4.272 ( 38.127 -1.260 -5.326) 38.518 4.933 ( 13.467 20.036 16.929) 29.485 5.825 ( -8.449 -0.423 8.381) 11.909 7.363 ( -2.721 -4.844 11.309) 12.600 7.796 ( -7.588 -0.313 -2.154) 7.894 8.444 ( 13.489 -6.865 1.810) 15.243 8.824 ( 12.577 0.402 -5.555) 13.755 10.224 ( -2.220 6.632 -0.085) 6.994 10.698 ( -2.995 1.925 -6.256) 7.198 11.258 ( 7.949 -3.985 -1.968) 9.107 11.576 ( 12.136 -1.684 -3.452) 12.729 12.925 ( -1.311 -4.118 -4.791) 6.452 13.258 ( -6.576 2.468 -3.393) 7.801 15.480 ( -4.191 -13.532 23.375) 27.333 17.150 ( -19.146 -1.423 -17.040) 25.670 30.041 ( 9.423 2.445 3.331) 10.289 30.531 ( 9.164 -3.274 -3.884) 10.478 34.258 ( -2.571 2.834 -0.112) 3.828 34.637 ( -3.973 -2.648 -3.762) 6.079 78.234 ( -9.012 20.732 6.301) 23.468 79.330 ( -32.027 8.276 -12.087) 35.218 ======================= Grid point 378 (124/240) ======================= q-point: ( 0.21 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.473 ( 12.039 13.551 -4.722) 18.731 3.494 ( 7.569 13.357 10.654) 18.687 3.955 ( 5.180 -2.877 -8.485) 10.349 5.028 ( 27.893 2.829 -5.573) 28.584 5.357 ( 26.887 7.541 10.391) 29.795 5.696 ( 0.329 -6.935 11.068) 13.065 7.322 ( -0.985 -5.877 11.318) 12.791 7.634 ( -7.493 0.908 -2.011) 7.812 8.697 ( 10.527 -6.954 1.067) 12.661 9.015 ( 5.638 0.819 -6.867) 8.923 10.224 ( 2.431 7.383 -0.285) 7.778 10.696 ( 2.553 3.738 -5.999) 7.515 11.431 ( 9.026 -3.547 0.190) 9.700 11.827 ( 11.481 -1.323 -4.952) 12.573 12.881 ( -2.842 -0.751 -4.230) 5.151 13.114 ( -7.068 -0.614 -5.296) 8.853 15.381 ( -5.230 -11.854 19.655) 23.541 16.724 ( -21.505 -0.613 -12.848) 25.058 30.262 ( 11.748 2.534 3.103) 12.413 30.726 ( 9.413 -3.630 -3.679) 10.739 34.205 ( -2.347 2.438 0.904) 3.503 34.546 ( -4.726 -2.372 -3.040) 6.099 78.029 ( -10.581 16.034 5.455) 19.970 78.690 ( -28.974 9.880 -3.943) 30.865 ======================= Grid point 379 (125/240) ======================= q-point: ( 0.29 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.741 ( 13.823 6.271 -3.355) 15.545 3.542 ( -1.143 3.638 2.860) 4.767 4.027 ( 1.729 4.346 3.085) 5.603 5.149 ( -9.196 3.333 2.208) 10.028 5.907 ( 22.087 -0.159 6.172) 22.934 6.039 ( 25.498 -12.766 5.140) 28.975 7.327 ( 1.411 -5.664 9.136) 10.842 7.550 ( 1.492 0.006 -0.322) 1.526 8.864 ( 5.637 -6.228 -0.577) 8.420 9.072 ( 0.710 -0.529 -7.241) 7.295 10.316 ( 6.176 7.425 -0.030) 9.658 10.777 ( 4.525 4.628 -5.394) 8.426 11.628 ( 9.793 -1.263 2.408) 10.164 12.026 ( 7.675 0.055 -5.585) 9.492 12.821 ( -2.747 3.212 -2.740) 5.037 12.983 ( -5.279 -3.878 -9.056) 11.177 15.277 ( -4.578 -8.958 15.904) 18.819 16.288 ( -20.455 0.093 -8.630) 22.201 30.510 ( 12.033 2.460 2.638) 12.562 30.904 ( 7.592 -3.068 -2.988) 8.716 34.166 ( -1.396 1.678 1.550) 2.677 34.447 ( -4.845 -2.227 -2.089) 5.727 77.814 ( -9.980 11.185 4.636) 15.691 78.167 ( -21.555 8.097 0.568) 23.033 ======================= Grid point 380 (126/240) ======================= q-point: ( 0.36 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.028 ( 13.692 -0.466 -1.751) 13.811 3.482 ( -4.138 -2.363 -0.810) 4.834 4.046 ( 0.629 4.577 8.749) 9.894 4.886 ( -14.782 0.189 5.478) 15.765 6.220 ( 9.049 -6.690 5.373) 12.470 6.422 ( 9.446 -8.257 3.642) 13.065 7.427 ( 9.580 -6.522 4.218) 12.333 7.702 ( 10.938 -3.832 2.470) 11.850 8.939 ( 2.145 -5.074 -2.221) 5.939 9.073 ( -0.310 -2.949 -6.414) 7.066 10.463 ( 7.776 7.285 -0.069) 10.656 10.853 ( 2.356 4.472 -4.189) 6.565 11.816 ( 8.025 2.345 4.363) 9.431 12.149 ( 4.593 1.616 -4.626) 6.716 12.768 ( -2.346 4.517 -2.800) 5.809 12.909 ( -1.956 -5.165 -12.872) 14.007 15.205 ( -2.107 -5.043 12.141) 13.314 15.895 ( -17.517 0.874 -4.389) 18.080 30.744 ( 10.458 2.122 1.925) 10.843 31.029 ( 4.448 -1.965 -2.034) 5.271 34.150 ( -0.107 0.720 1.761) 1.905 34.350 ( -4.453 -2.042 -0.999) 5.000 77.630 ( -7.648 7.103 4.011) 11.181 77.805 ( -13.729 5.359 2.631) 14.971 ======================= Grid point 381 (127/240) ======================= q-point: ( 0.43 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.273 ( 8.397 -6.490 0.119) 10.613 3.403 ( -2.012 -5.172 -1.944) 5.880 4.075 ( 2.666 2.488 10.052) 10.693 4.578 ( -14.188 -0.818 7.157) 15.912 6.334 ( 3.227 -7.819 4.991) 9.822 6.484 ( -0.834 -5.993 3.880) 7.188 7.658 ( 10.144 -9.766 2.443) 14.292 7.905 ( 7.409 -6.303 2.098) 9.951 8.970 ( 1.085 -4.507 -3.014) 5.529 9.065 ( -0.415 -4.829 -5.248) 7.143 10.621 ( 7.140 7.083 -0.754) 10.086 10.862 ( -1.411 4.147 -2.384) 4.988 11.945 ( 4.455 5.831 4.689) 8.708 12.221 ( 2.319 3.026 -0.666) 3.871 12.745 ( 0.588 1.614 -7.608) 7.799 12.877 ( -1.781 -3.598 -13.359) 13.949 15.202 ( 2.033 -0.990 8.005) 8.318 15.577 ( -13.060 1.216 0.088) 13.117 30.931 ( 7.428 1.472 1.009) 7.639 31.082 ( 0.578 -0.695 -0.976) 1.330 34.162 ( 1.258 -0.247 1.552) 2.013 34.266 ( -3.648 -1.678 0.076) 4.016 77.508 ( -4.055 4.357 3.602) 6.957 77.597 ( -6.659 3.326 3.472) 8.213 ======================= Grid point 382 (128/240) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.320 ( 0.000 -8.518 0.025) 8.518 3.429 ( 0.000 -6.794 -0.968) 6.863 4.133 ( 0.000 0.924 8.935) 8.983 4.389 ( 0.000 -0.145 8.713) 8.714 6.371 ( 0.000 -7.860 4.627) 9.121 6.462 ( 0.000 -5.606 4.135) 6.966 7.771 ( 0.000 -10.851 2.096) 11.051 7.982 ( 0.000 -7.154 1.586) 7.328 8.982 ( 0.000 -4.437 -3.135) 5.433 9.059 ( 0.000 -5.475 -4.733) 7.237 10.719 ( -0.000 7.419 -2.095) 7.709 10.824 ( 0.000 3.596 -0.551) 3.638 11.993 ( 0.000 7.278 4.104) 8.355 12.243 ( 0.000 3.769 2.389) 4.462 12.770 ( -0.000 -0.950 -11.735) 11.773 12.844 ( 0.000 -2.072 -12.112) 12.288 15.259 ( 0.000 1.912 3.841) 4.290 15.405 ( 0.000 0.162 4.346) 4.349 31.033 ( -0.000 0.650 -0.048) 0.652 31.063 ( 0.000 0.359 0.125) 0.380 34.198 ( -0.000 -1.049 0.950) 1.416 34.205 ( 0.000 -1.100 0.985) 1.476 77.466 ( 0.000 3.340 3.409) 4.772 77.528 ( 0.000 2.652 3.745) 4.589 ======================= Grid point 390 (129/240) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.469 ( 0.000 11.728 4.970) 12.738 2.707 ( 0.000 29.578 -18.095) 34.674 3.103 ( 0.000 -3.938 -4.135) 5.710 3.718 ( 0.000 -15.455 -21.234) 26.263 5.316 ( 0.000 26.089 22.278) 34.307 6.016 ( 0.000 -5.616 14.529) 15.576 7.435 ( 0.000 1.947 13.225) 13.368 7.885 ( 0.000 -9.245 -2.415) 9.555 8.005 ( 0.000 0.827 2.041) 2.202 8.376 ( 0.000 -0.686 -3.386) 3.455 10.407 ( 0.000 2.689 -4.773) 5.478 10.920 ( 0.000 -0.825 2.682) 2.806 10.925 ( 0.000 -2.524 -15.266) 15.473 11.247 ( 0.000 -0.418 -2.084) 2.125 12.814 ( 0.000 -4.334 -2.263) 4.889 13.517 ( 0.000 4.193 -0.498) 4.223 15.341 ( 0.000 -7.417 25.741) 26.788 17.540 ( 0.000 -2.440 -23.236) 23.363 29.874 ( 0.000 1.571 2.995) 3.382 30.278 ( 0.000 -1.072 -2.771) 2.971 34.363 ( 0.000 1.187 -1.622) 2.010 34.676 ( 0.000 -1.731 -5.028) 5.318 78.982 ( 0.000 25.171 3.920) 25.474 80.017 ( 0.000 -13.312 -15.712) 20.593 ======================= Grid point 391 (130/240) ======================= q-point: ( 0.07 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.670 ( 6.025 22.969 -9.281) 25.495 2.819 ( 21.896 15.615 -2.489) 27.008 3.396 ( 24.366 -4.618 -5.293) 25.358 3.727 ( 3.055 -14.018 -19.610) 24.298 5.311 ( -0.245 24.111 21.420) 32.252 5.955 ( -5.669 -4.989 14.289) 16.162 7.389 ( -3.852 1.216 13.284) 13.884 7.829 ( -4.248 -7.747 -2.779) 9.262 8.119 ( 9.641 -0.299 2.775) 10.036 8.533 ( 13.394 -0.546 -3.717) 13.911 10.385 ( -1.795 3.619 -5.035) 6.455 10.790 ( -5.867 -1.350 -7.331) 9.486 11.051 ( 6.235 -1.865 -4.725) 8.042 11.332 ( 7.735 -0.998 -2.542) 8.203 12.820 ( 0.418 -4.380 -3.229) 5.458 13.469 ( -4.538 4.119 -0.413) 6.142 15.320 ( -2.034 -7.415 25.100) 26.251 17.424 ( -10.966 -2.145 -21.932) 24.614 29.930 ( 5.374 1.617 2.996) 6.362 30.332 ( 5.113 -1.360 -2.762) 5.968 34.346 ( -1.615 1.260 -1.352) 2.454 34.653 ( -2.155 -1.683 -4.792) 5.517 78.896 ( -8.099 23.574 3.972) 25.241 79.828 ( -17.526 -10.584 -13.269) 24.397 ======================= Grid point 392 (131/240) ======================= q-point: ( 0.14 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.733 ( 3.048 23.775 -14.124) 27.822 3.412 ( 24.466 7.603 2.659) 25.757 3.646 ( 7.235 -11.527 -13.990) 19.518 4.223 ( 39.893 -3.034 -5.385) 40.369 5.324 ( 2.008 16.716 19.103) 25.463 5.800 ( -8.654 -3.149 13.391) 16.251 7.301 ( -4.377 -0.510 13.657) 14.350 7.729 ( -5.380 -5.462 -3.332) 8.360 8.355 ( 12.289 -1.812 3.890) 13.016 8.834 ( 13.697 0.354 -4.960) 14.571 10.354 ( -0.693 5.343 -5.442) 7.658 10.710 ( -1.353 -0.583 -7.678) 7.818 11.187 ( 7.346 -2.510 -2.753) 8.236 11.540 ( 11.833 -1.540 -3.694) 12.492 12.823 ( -0.263 -4.308 -5.621) 7.087 13.341 ( -7.618 3.966 -0.290) 8.593 15.262 ( -3.421 -7.187 23.390) 24.708 17.114 ( -18.303 -1.546 -18.522) 26.086 30.087 ( 9.561 1.735 2.963) 10.158 30.476 ( 8.476 -1.906 -2.627) 9.076 34.301 ( -2.603 1.373 -0.680) 3.021 34.591 ( -3.776 -1.610 -4.143) 5.832 78.666 ( -13.778 19.438 4.040) 24.166 79.353 ( -26.943 -5.008 -7.863) 28.510 ======================= Grid point 393 (132/240) ======================= q-point: ( 0.21 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.814 ( 4.807 18.243 -11.792) 22.248 3.516 ( -2.341 -10.609 -13.836) 17.591 4.050 ( 18.108 10.366 9.717) 23.017 5.061 ( 37.296 -0.088 -4.843) 37.609 5.378 ( 0.926 -3.393 19.082) 19.404 5.679 ( 1.744 3.326 8.871) 9.633 7.225 ( -2.553 -2.761 13.522) 14.036 7.614 ( -5.366 -2.433 -3.431) 6.818 8.592 ( 10.234 -2.921 3.472) 11.195 9.035 ( 5.350 0.797 -6.412) 8.389 10.374 ( 2.764 6.228 -5.091) 8.506 10.741 ( 3.964 0.632 -7.174) 8.221 11.365 ( 10.165 -2.392 -0.470) 10.453 11.793 ( 12.071 -1.642 -4.866) 13.118 12.810 ( -0.929 -3.873 -8.684) 9.554 13.172 ( -8.381 3.832 -0.515) 9.230 15.188 ( -3.442 -6.344 20.995) 22.201 16.704 ( -20.840 -0.995 -13.985) 25.117 30.310 ( 11.795 1.841 2.819) 12.266 30.664 ( 9.444 -2.188 -2.229) 9.947 34.245 ( -2.712 1.330 0.099) 3.022 34.503 ( -4.634 -1.580 -3.208) 5.854 78.354 ( -15.892 14.227 3.979) 21.698 78.782 ( -27.351 -0.602 -2.722) 27.493 ======================= Grid point 394 (133/240) ======================= q-point: ( 0.29 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.927 ( 6.079 11.151 -8.269) 15.155 3.452 ( -3.693 -10.069 -10.974) 15.344 4.243 ( 1.981 13.383 14.983) 20.187 5.141 ( -13.635 -4.790 14.210) 20.267 5.825 ( 26.711 -5.087 1.671) 27.242 5.911 ( 16.775 -0.810 4.947) 17.508 7.217 ( 2.262 -4.199 10.881) 11.881 7.539 ( -0.948 -0.988 -2.507) 2.856 8.763 ( 6.287 -3.137 1.275) 7.141 9.072 ( -0.807 0.230 -7.059) 7.109 10.465 ( 5.874 6.070 -3.872) 9.292 10.839 ( 4.715 1.345 -6.107) 7.832 11.602 ( 12.423 -0.958 1.775) 12.586 12.014 ( 9.115 -0.988 -4.915) 10.403 12.794 ( -0.457 -3.298 -11.902) 12.359 13.010 ( -7.188 3.688 -1.594) 8.235 15.132 ( -1.710 -4.699 18.025) 18.705 16.283 ( -19.684 -0.431 -9.072) 21.678 30.557 ( 11.862 1.818 2.511) 12.260 30.849 ( 8.265 -1.989 -1.588) 8.649 34.195 ( -2.063 1.030 0.733) 2.419 34.405 ( -4.741 -1.549 -2.124) 5.422 78.035 ( -14.685 9.326 3.758) 17.797 78.265 ( -22.318 1.336 0.647) 22.367 ======================= Grid point 395 (134/240) ======================= q-point: ( 0.36 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.055 ( 6.054 3.119 -3.900) 7.848 3.368 ( -4.336 -7.389 -5.885) 10.394 4.211 ( -3.393 9.855 15.515) 18.691 4.827 ( -15.926 -5.694 14.175) 22.068 6.118 ( 7.788 -2.578 5.588) 9.926 6.281 ( 11.883 -5.093 2.752) 13.219 7.325 ( 8.070 -3.000 5.085) 10.000 7.602 ( 6.469 -4.913 -0.176) 8.125 8.857 ( 3.151 -2.530 -1.242) 4.228 9.035 ( -2.212 -0.923 -6.518) 6.945 10.604 ( 7.282 5.542 -2.739) 9.552 10.913 ( 2.184 1.369 -4.790) 5.440 11.852 ( 11.359 1.130 3.708) 12.002 12.165 ( 5.704 0.105 -3.553) 6.721 12.791 ( -0.094 -2.758 -14.194) 14.460 12.883 ( -4.924 2.965 -4.180) 7.107 15.127 ( 1.407 -2.370 14.349) 14.611 15.906 ( -16.729 0.268 -4.184) 17.246 30.785 ( 9.999 1.573 2.030) 10.323 30.993 ( 5.472 -1.394 -0.819) 5.706 34.164 ( -0.924 0.516 1.075) 1.508 34.312 ( -4.209 -1.422 -1.027) 4.560 77.767 ( -11.049 5.588 3.471) 12.859 77.878 ( -15.140 1.555 2.369) 15.403 ======================= Grid point 396 (135/240) ======================= q-point: ( 0.43 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.157 ( 3.066 -3.971 0.584) 5.051 3.289 ( -2.501 -5.126 -0.478) 5.723 4.160 ( -0.603 5.204 13.693) 14.661 4.519 ( -13.148 -4.504 13.063) 19.074 6.227 ( 3.669 -2.380 5.839) 7.295 6.385 ( 0.165 -3.675 4.201) 5.584 7.508 ( 7.996 -3.605 1.542) 8.905 7.740 ( 5.506 -8.727 1.029) 10.370 8.904 ( 1.635 -1.688 -2.954) 3.775 8.994 ( -1.631 -2.113 -5.246) 5.886 10.749 ( 6.488 4.711 -2.381) 8.364 10.923 ( -1.140 1.729 -3.448) 4.022 12.050 ( 7.393 3.786 4.515) 9.454 12.253 ( 2.833 0.275 -0.434) 2.879 12.773 ( -1.391 0.175 -12.068) 12.149 12.819 ( -1.547 -1.032 -11.107) 11.262 15.195 ( 5.230 0.106 9.926) 11.220 15.598 ( -13.162 0.725 0.629) 13.196 30.958 ( 6.693 1.088 1.409) 6.926 31.068 ( 1.664 -0.601 -0.017) 1.769 34.159 ( 0.456 -0.091 1.057) 1.155 34.236 ( -3.196 -1.137 -0.053) 3.393 77.591 ( -5.876 3.326 3.220) 7.481 77.645 ( -7.547 1.181 3.091) 8.240 ======================= Grid point 397 (136/240) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.176 ( 0.000 -4.357 2.574) 5.061 3.275 ( 0.000 -7.316 2.184) 7.635 4.177 ( 0.000 3.312 12.348) 12.784 4.352 ( 0.000 -3.284 12.454) 12.880 6.273 ( 0.000 -1.428 5.120) 5.316 6.368 ( 0.000 -3.845 5.266) 6.520 7.598 ( 0.000 -4.273 0.538) 4.307 7.798 ( 0.000 -9.823 1.355) 9.916 8.923 ( 0.000 -1.065 -3.785) 3.932 8.975 ( 0.000 -2.886 -4.300) 5.178 10.847 ( -0.000 4.415 -3.073) 5.379 10.881 ( 0.000 1.874 -2.142) 2.846 12.133 ( 0.000 5.839 3.887) 7.015 12.280 ( 0.000 -0.361 2.631) 2.656 12.760 ( 0.000 0.036 -12.806) 12.806 12.801 ( 0.000 -1.826 -13.057) 13.184 15.312 ( -0.000 2.901 5.188) 5.944 15.399 ( 0.000 -0.821 5.378) 5.440 31.047 ( 0.000 0.690 0.669) 0.962 31.066 ( 0.000 -0.083 0.781) 0.785 34.181 ( -0.000 -0.586 0.657) 0.880 34.185 ( 0.000 -0.766 0.682) 1.026 77.530 ( 0.000 2.564 3.097) 4.021 77.567 ( 0.000 0.986 3.302) 3.446 ======================= Grid point 405 (137/240) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.606 ( 0.000 0.000 3.017) 3.017 3.048 ( 0.000 0.000 -3.299) 3.299 3.249 ( 0.000 0.000 -18.983) 18.983 3.324 ( 0.000 -0.000 -25.669) 25.669 5.774 ( 0.000 0.000 13.210) 13.210 5.779 ( 0.000 -0.000 25.701) 25.701 7.488 ( 0.000 0.000 17.640) 17.640 7.755 ( 0.000 0.000 -5.657) 5.657 8.015 ( 0.000 0.000 1.777) 1.777 8.368 ( 0.000 0.000 -3.451) 3.451 10.439 ( 0.000 0.000 -6.630) 6.630 10.892 ( 0.000 0.000 -17.445) 17.445 10.911 ( 0.000 0.000 2.865) 2.865 11.243 ( 0.000 0.000 -2.025) 2.025 12.767 ( 0.000 0.000 -1.018) 1.018 13.564 ( 0.000 0.000 0.164) 0.164 15.263 ( 0.000 0.000 24.991) 24.991 17.513 ( 0.000 0.000 -23.715) 23.715 29.891 ( 0.000 0.000 2.814) 2.814 30.266 ( 0.000 0.000 -2.532) 2.532 34.375 ( 0.000 0.000 -1.577) 1.577 34.658 ( 0.000 0.000 -5.302) 5.302 79.350 ( 0.000 0.000 0.926) 0.926 79.772 ( 0.000 -0.000 -9.508) 9.508 ======================= Grid point 407 (138/240) ======================= q-point: ( 0.07 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.887 ( 24.113 0.000 2.939) 24.291 3.219 ( 5.305 0.000 -15.566) 16.445 3.254 ( 1.493 -0.000 -17.625) 17.688 3.463 ( 22.762 -0.000 -12.570) 26.002 5.724 ( -5.279 0.000 25.226) 25.772 5.749 ( -2.198 -0.000 12.611) 12.801 7.431 ( -4.898 0.000 17.103) 17.791 7.714 ( -3.084 0.000 -5.506) 6.311 8.121 ( 9.053 0.000 2.595) 9.417 8.527 ( 13.693 0.000 -3.589) 14.156 10.428 ( -0.860 0.000 -6.874) 6.928 10.772 ( -5.668 0.000 -8.807) 10.473 11.029 ( 6.012 0.000 -5.061) 7.859 11.321 ( 7.323 0.000 -2.581) 7.764 12.772 ( 0.369 0.000 -2.130) 2.162 13.516 ( -4.568 0.000 0.230) 4.574 15.241 ( -2.015 0.000 24.529) 24.612 17.400 ( -10.699 0.000 -22.446) 24.866 29.948 ( 5.427 0.000 2.818) 6.115 30.317 ( 4.856 0.000 -2.456) 5.442 34.359 ( -1.540 0.000 -1.370) 2.061 34.635 ( -2.129 0.000 -5.035) 5.467 79.239 ( -10.531 0.000 1.321) 10.614 79.621 ( -14.162 -0.000 -8.111) 16.320 ======================= Grid point 409 (139/240) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.186 ( 1.811 0.000 -14.465) 14.578 3.230 ( -1.288 -0.000 -20.939) 20.979 3.596 ( 31.652 0.000 3.708) 31.869 4.182 ( 41.464 0.000 -4.707) 41.731 5.569 ( -9.592 0.000 24.154) 25.989 5.703 ( -1.661 0.000 10.715) 10.843 7.314 ( -6.001 0.000 16.385) 17.449 7.647 ( -3.397 0.000 -5.360) 6.346 8.341 ( 11.472 0.000 4.243) 12.231 8.837 ( 14.194 0.000 -4.701) 14.953 10.418 ( 0.249 0.000 -7.246) 7.250 10.696 ( -0.957 0.000 -8.484) 8.538 11.160 ( 7.135 0.000 -3.286) 7.855 11.522 ( 11.604 0.000 -3.860) 12.229 12.775 ( -0.183 0.000 -4.987) 4.990 13.387 ( -7.637 0.000 0.279) 7.642 15.186 ( -3.175 0.000 23.255) 23.470 17.097 ( -17.993 0.000 -19.044) 26.199 30.106 ( 9.640 0.000 2.796) 10.037 30.455 ( 8.220 0.000 -2.193) 8.508 34.316 ( -2.552 0.000 -0.832) 2.684 34.573 ( -3.767 0.000 -4.305) 5.720 78.942 ( -17.540 0.000 2.185) 17.675 79.228 ( -22.863 -0.000 -4.833) 23.368 ======================= Grid point 411 (140/240) ======================= q-point: ( 0.21 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.196 ( -1.891 0.000 -18.081) 18.180 3.205 ( 0.892 -0.000 -13.535) 13.565 4.187 ( 22.078 0.000 9.973) 24.226 5.046 ( 40.379 0.000 -3.139) 40.501 5.336 ( -12.754 0.000 22.897) 26.210 5.722 ( 4.667 0.000 7.375) 8.728 7.202 ( -4.272 0.000 15.017) 15.613 7.577 ( -3.282 0.000 -4.794) 5.810 8.565 ( 9.763 0.000 4.256) 10.650 9.044 ( 5.319 0.000 -6.215) 8.180 10.448 ( 2.844 0.000 -6.860) 7.426 10.740 ( 4.679 0.000 -7.535) 8.869 11.340 ( 10.599 0.000 -0.881) 10.636 11.773 ( 12.129 0.000 -4.921) 13.090 12.765 ( -0.650 0.000 -8.701) 8.726 13.218 ( -8.399 0.000 -0.155) 8.401 15.121 ( -2.793 0.000 21.338) 21.520 16.692 ( -20.563 0.000 -14.364) 25.083 30.331 ( 11.838 0.000 2.679) 12.137 30.640 ( 9.404 0.000 -1.708) 9.558 34.259 ( -2.781 0.000 -0.160) 2.785 34.486 ( -4.639 0.000 -3.276) 5.679 78.551 ( -19.705 0.000 2.943) 19.923 78.729 ( -24.552 -0.000 -1.437) 24.594 ======================= Grid point 413 (141/240) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.156 ( -1.843 0.000 -13.041) 13.170 3.229 ( 1.338 -0.000 -9.942) 10.032 4.428 ( 1.963 0.000 14.866) 14.995 5.043 ( -15.154 0.000 21.103) 25.980 5.784 ( 29.577 0.000 -1.154) 29.600 5.902 ( 11.217 0.000 5.290) 12.402 7.171 ( 2.078 0.000 11.745) 11.927 7.524 ( -1.308 0.000 -3.834) 4.051 8.731 ( 6.363 0.000 1.942) 6.653 9.075 ( -1.278 0.000 -6.955) 7.071 10.536 ( 5.587 0.000 -5.413) 7.779 10.848 ( 4.891 0.000 -6.122) 7.836 11.592 ( 13.389 0.000 1.527) 13.476 12.000 ( 9.659 0.000 -4.768) 10.771 12.755 ( -0.224 0.000 -12.361) 12.363 13.054 ( -7.295 0.000 -1.682) 7.487 15.083 ( -0.642 0.000 18.694) 18.705 16.277 ( -19.334 0.000 -9.202) 21.413 30.578 ( 11.800 0.000 2.427) 12.047 30.827 ( 8.475 0.000 -1.058) 8.541 34.206 ( -2.273 0.000 0.440) 2.315 34.388 ( -4.711 0.000 -2.130) 5.170 78.160 ( -17.736 0.000 3.309) 18.042 78.253 ( -21.044 -0.000 0.970) 21.066 ======================= Grid point 415 (142/240) ======================= q-point: ( 0.36 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.124 ( -1.165 0.000 -6.400) 6.505 3.249 ( 0.267 -0.000 -4.873) 4.881 4.355 ( -6.623 0.000 16.175) 17.478 4.726 ( -15.118 0.000 18.804) 24.128 6.100 ( 7.176 0.000 6.498) 9.681 6.222 ( 12.679 0.000 1.147) 12.731 7.297 ( 9.362 0.000 6.900) 11.630 7.541 ( 2.924 0.000 -2.710) 3.986 8.831 ( 3.611 0.000 -1.010) 3.750 9.026 ( -2.851 0.000 -6.530) 7.126 10.668 ( 6.851 0.000 -3.862) 7.865 10.923 ( 2.286 0.000 -4.743) 5.265 11.864 ( 12.508 0.000 3.482) 12.983 12.164 ( 6.197 0.000 -3.043) 6.904 12.757 ( 0.308 0.000 -14.888) 14.891 12.921 ( -5.696 0.000 -4.568) 7.302 15.103 ( 2.730 0.000 15.070) 15.315 15.909 ( -16.336 0.000 -4.105) 16.843 30.803 ( 9.795 0.000 2.042) 10.006 30.977 ( 5.856 0.000 -0.344) 5.867 34.170 ( -1.231 0.000 0.812) 1.474 34.297 ( -4.098 0.000 -1.026) 4.224 77.840 ( -13.019 0.000 3.344) 13.441 77.881 ( -14.843 -0.000 2.264) 15.015 ======================= Grid point 417 (143/240) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.117 ( 0.759 0.000 0.367) 0.843 3.226 ( -2.564 -0.000 1.086) 2.784 4.241 ( -2.971 0.000 14.789) 15.085 4.444 ( -11.756 0.000 15.868) 19.748 6.211 ( 4.383 0.000 6.663) 7.975 6.339 ( 0.339 0.000 3.393) 3.410 7.497 ( 8.698 0.000 3.147) 9.250 7.613 ( 2.862 0.000 -1.244) 3.120 8.889 ( 2.232 0.000 -3.012) 3.749 8.972 ( -2.319 0.000 -5.427) 5.901 10.802 ( 5.826 0.000 -3.054) 6.577 10.940 ( -0.653 0.000 -3.628) 3.686 12.092 ( 9.351 0.000 4.381) 10.327 12.252 ( 2.097 0.000 0.056) 2.098 12.762 ( 0.170 0.000 -15.384) 15.385 12.821 ( -3.817 0.000 -8.774) 9.569 15.198 ( 6.467 0.000 10.545) 12.370 15.606 ( -13.148 0.000 0.770) 13.170 30.971 ( 6.375 0.000 1.553) 6.561 31.060 ( 2.099 0.000 0.350) 2.128 34.158 ( 0.125 0.000 0.863) 0.872 34.223 ( -2.988 0.000 -0.096) 2.989 77.635 ( -6.743 0.000 3.224) 7.474 77.649 ( -7.650 -0.000 2.825) 8.155 ======================= Grid point 419 (144/240) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.160 ( -1.551 -2.505 3.820) 4.824 3.160 ( 1.551 2.505 3.820) 4.825 4.264 ( -2.569 -4.067 13.925) 14.732 4.264 ( 2.569 4.067 13.925) 14.732 6.295 ( -1.980 -2.390 5.312) 6.152 6.295 ( 1.980 2.390 5.312) 6.152 7.619 ( -0.633 -5.758 0.641) 5.828 7.619 ( 0.633 5.758 0.641) 5.828 8.930 ( -1.036 -1.169 -4.244) 4.523 8.930 ( 1.036 1.169 -4.244) 4.523 10.898 ( -3.226 -0.186 -3.009) 4.416 10.898 ( 3.226 0.186 -3.009) 4.416 12.234 ( -1.942 -3.285 3.373) 5.092 12.234 ( 1.942 3.285 3.373) 5.092 12.771 ( -0.526 -0.870 -13.303) 13.342 12.771 ( 0.526 0.870 -13.303) 13.342 15.368 ( -9.132 -0.887 5.632) 10.766 15.368 ( 9.132 0.887 5.632) 10.766 31.060 ( -2.007 -0.192 0.986) 2.244 31.060 ( 2.007 0.192 0.986) 2.244 34.176 ( -1.578 -0.017 0.555) 1.673 34.176 ( 1.578 0.017 0.555) 1.673 77.568 ( -0.049 -0.936 3.065) 3.205 77.568 ( 0.049 0.936 3.065) 3.205 ======================= Grid point 495 (145/240) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.893 ( 0.000 0.000 25.905) 25.905 2.476 ( 0.000 0.000 32.942) 32.942 3.055 ( 0.000 0.000 -11.822) 11.822 3.518 ( 0.000 0.000 31.798) 31.798 4.057 ( 0.000 0.000 4.083) 4.083 5.706 ( 0.000 0.000 -16.985) 16.985 7.953 ( 0.000 0.000 9.345) 9.345 8.035 ( 0.000 0.000 5.595) 5.595 8.368 ( 0.000 0.000 -4.180) 4.180 8.388 ( 0.000 0.000 -5.647) 5.647 10.445 ( 0.000 0.000 5.344) 5.344 10.618 ( 0.000 0.000 -1.464) 1.464 11.049 ( 0.000 0.000 1.674) 1.674 11.209 ( 0.000 0.000 -3.034) 3.034 13.003 ( 0.000 0.000 0.896) 0.896 13.242 ( 0.000 0.000 -6.036) 6.036 17.029 ( 0.000 0.000 -2.455) 2.455 17.109 ( 0.000 0.000 -4.834) 4.834 29.843 ( 0.000 0.000 5.877) 5.877 30.251 ( 0.000 0.000 -6.156) 6.156 34.179 ( 0.000 0.000 8.449) 8.449 34.791 ( 0.000 0.000 -9.555) 9.555 77.857 ( 0.000 0.000 8.700) 8.700 78.510 ( 0.000 0.000 -10.583) 10.583 ======================= Grid point 496 (146/240) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.186 ( 23.179 0.000 24.599) 33.799 2.538 ( 6.404 0.000 30.341) 31.009 3.380 ( 28.490 0.000 -12.398) 31.071 3.582 ( 7.034 0.000 23.137) 24.183 4.119 ( 7.168 0.000 9.966) 12.276 5.701 ( 0.001 0.000 -15.797) 15.797 7.842 ( -12.179 0.000 5.384) 13.316 7.848 ( -7.637 0.000 6.052) 9.744 8.520 ( 11.807 0.000 -1.593) 11.914 8.573 ( 11.737 0.000 -5.070) 12.785 10.330 ( -7.688 0.000 5.876) 9.677 10.530 ( -6.755 0.000 -1.472) 6.913 11.202 ( 11.250 0.000 0.487) 11.261 11.318 ( 8.909 0.000 -3.213) 9.471 12.978 ( -2.336 0.000 1.417) 2.733 13.260 ( 1.275 0.000 -7.246) 7.358 16.915 ( -10.474 0.000 -0.629) 10.493 17.025 ( -7.985 0.000 -4.824) 9.329 29.896 ( 5.057 0.000 5.917) 7.784 30.337 ( 7.666 0.000 -7.760) 10.908 34.176 ( -0.271 0.000 8.201) 8.205 34.754 ( -3.336 0.000 -8.535) 9.164 77.828 ( -2.661 0.000 8.105) 8.531 78.357 ( -13.296 0.000 -5.643) 14.444 ======================= Grid point 497 (147/240) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.615 ( 15.954 0.000 27.739) 32.000 2.734 ( 12.077 0.000 25.407) 28.132 3.781 ( 9.457 0.000 -1.646) 9.599 4.053 ( 32.227 0.000 -16.838) 36.360 4.466 ( 29.406 0.000 24.025) 37.973 5.753 ( 6.994 0.000 -11.041) 13.070 7.636 ( -7.476 0.000 4.666) 8.813 7.696 ( -6.623 0.000 3.533) 7.507 8.774 ( 11.845 0.000 -0.822) 11.874 8.782 ( 8.282 0.000 -4.729) 9.537 10.213 ( -3.162 0.000 5.451) 6.302 10.404 ( -4.546 0.000 -1.306) 4.730 11.421 ( 9.411 0.000 0.403) 9.420 11.518 ( 9.777 0.000 -3.882) 10.520 12.910 ( -4.118 0.000 2.638) 4.891 13.267 ( -1.163 0.000 -8.965) 9.041 16.634 ( -16.015 0.000 1.971) 16.135 16.790 ( -14.472 0.000 -4.706) 15.218 30.043 ( 8.951 0.000 5.877) 10.708 30.530 ( 10.222 0.000 -9.736) 14.117 34.170 ( -0.267 0.000 7.534) 7.539 34.669 ( -4.626 0.000 -6.643) 8.096 77.755 ( -4.262 0.000 6.700) 7.941 78.046 ( -15.197 0.000 1.551) 15.276 ======================= Grid point 498 (148/240) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.868 ( 10.233 0.000 26.326) 28.245 3.009 ( 14.052 0.000 19.461) 24.004 3.926 ( 5.398 0.000 -6.444) 8.406 4.527 ( 11.887 0.000 -22.341) 25.307 5.262 ( 43.719 0.000 20.784) 48.408 6.070 ( 23.720 0.000 -4.047) 24.063 7.533 ( -2.649 0.000 3.012) 4.011 7.593 ( -2.844 0.000 2.398) 3.720 8.918 ( 5.208 0.000 -4.547) 6.914 8.980 ( 7.855 0.000 -1.650) 8.027 10.198 ( 1.443 0.000 4.932) 5.139 10.362 ( 0.471 0.000 -0.982) 1.089 11.589 ( 7.061 0.000 1.737) 7.272 11.704 ( 8.109 0.000 -4.649) 9.347 12.814 ( -5.043 0.000 3.621) 6.208 13.201 ( -5.246 0.000 -9.594) 10.934 16.285 ( -17.456 0.000 2.655) 17.656 16.448 ( -18.330 0.000 -4.311) 18.830 30.251 ( 11.014 0.000 5.442) 12.285 30.732 ( 9.127 0.000 -9.701) 13.320 34.168 ( 0.105 0.000 6.610) 6.611 34.574 ( -4.499 0.000 -4.982) 6.713 77.662 ( -4.499 0.000 5.241) 6.907 77.773 ( -10.990 0.000 4.741) 11.969 ======================= Grid point 499 (149/240) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.072 ( 9.879 0.000 18.604) 21.064 3.287 ( 12.437 0.000 13.172) 18.116 4.027 ( 4.672 0.000 -3.109) 5.612 4.599 ( -2.373 0.000 -20.305) 20.443 6.117 ( 36.436 0.000 13.492) 38.854 6.581 ( 21.155 0.000 -2.173) 21.266 7.539 ( 4.079 0.000 3.010) 5.069 7.621 ( 6.929 0.000 2.148) 7.254 9.003 ( 3.181 0.000 -5.271) 6.157 9.098 ( 3.827 0.000 -3.141) 4.951 10.263 ( 4.752 0.000 5.276) 7.101 10.418 ( 4.762 0.000 -0.120) 4.763 11.717 ( 5.433 0.000 3.394) 6.406 11.846 ( 5.497 0.000 -4.688) 7.225 12.710 ( -4.851 0.000 3.157) 5.788 13.063 ( -7.654 0.000 -9.928) 12.536 15.931 ( -16.643 0.000 1.955) 16.758 16.058 ( -18.973 0.000 -3.571) 19.306 30.483 ( 11.167 0.000 4.408) 12.005 30.895 ( 6.559 0.000 -8.226) 10.521 34.176 ( 0.744 0.000 5.546) 5.595 34.486 ( -3.985 0.000 -3.455) 5.274 77.576 ( -3.775 0.000 4.257) 5.690 77.595 ( -6.491 0.000 5.248) 8.347 ======================= Grid point 500 (150/240) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.273 ( 9.468 0.000 9.220) 13.216 3.502 ( 8.015 0.000 6.431) 10.276 4.121 ( 4.460 0.000 0.651) 4.507 4.503 ( -5.897 0.000 -13.374) 14.616 6.661 ( 15.681 0.000 5.440) 16.598 6.844 ( 5.471 0.000 -1.680) 5.723 7.739 ( 15.072 0.000 5.626) 16.088 7.876 ( 15.383 0.000 2.046) 15.519 9.054 ( 1.886 0.000 -6.573) 6.838 9.146 ( 0.978 0.000 -5.048) 5.141 10.390 ( 7.429 0.000 6.468) 9.850 10.543 ( 6.792 0.000 2.023) 7.087 11.811 ( 3.689 0.000 4.617) 5.910 11.926 ( 2.245 0.000 -3.223) 3.928 12.627 ( -2.926 0.000 0.350) 2.947 12.904 ( -7.476 0.000 -10.535) 12.918 15.613 ( -13.809 0.000 0.946) 13.841 15.691 ( -16.178 0.000 -2.627) 16.390 30.700 ( 9.717 0.000 2.783) 10.108 30.998 ( 3.329 0.000 -6.162) 7.004 34.199 ( 1.461 0.000 4.363) 4.601 34.410 ( -3.480 0.000 -1.843) 3.937 77.497 ( -3.237 0.000 4.928) 5.896 77.510 ( -2.668 0.000 3.850) 4.684 ======================= Grid point 501 (151/240) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.453 ( 7.727 0.000 1.054) 7.799 3.604 ( 1.807 0.000 -0.193) 1.817 4.209 ( 4.001 0.000 3.172) 5.106 4.384 ( -5.308 0.000 -4.397) 6.892 6.835 ( 3.739 0.000 1.091) 3.894 6.888 ( 0.175 0.000 -1.013) 1.028 8.058 ( 13.216 0.000 5.676) 14.383 8.144 ( 9.149 0.000 2.423) 9.464 9.087 ( 1.430 0.000 -7.680) 7.811 9.144 ( -0.921 0.000 -6.794) 6.856 10.554 ( 7.810 0.000 7.765) 11.013 10.664 ( 3.979 0.000 5.189) 6.539 11.872 ( 2.367 0.000 4.484) 5.071 11.941 ( -0.567 0.000 -0.344) 0.664 12.603 ( 0.759 0.000 -4.365) 4.430 12.764 ( -6.096 0.000 -10.539) 12.175 15.383 ( -8.005 0.000 0.030) 8.005 15.417 ( -9.839 0.000 -1.690) 9.983 30.874 ( 7.122 0.000 0.728) 7.159 31.030 ( -0.234 0.000 -3.889) 3.897 34.236 ( 2.101 0.000 3.026) 3.684 34.343 ( -3.041 0.000 -0.148) 3.045 77.454 ( -1.104 0.000 4.498) 4.632 77.466 ( -1.521 0.000 3.869) 4.158 ======================= Grid point 502 (152/240) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.578 ( -4.011 0.000 -2.889) 4.943 3.578 ( 4.011 0.000 -2.889) 4.943 4.289 ( -2.564 0.000 2.156) 3.350 4.289 ( 2.564 0.000 2.156) 3.350 6.877 ( -0.679 0.000 -0.280) 0.734 6.877 ( 0.679 0.000 -0.280) 0.734 8.220 ( -1.993 0.000 3.781) 4.274 8.220 ( 1.993 0.000 3.781) 4.274 9.117 ( -0.497 0.000 -7.797) 7.813 9.117 ( 0.497 0.000 -7.797) 7.813 10.675 ( -1.379 0.000 7.593) 7.717 10.675 ( 1.379 0.000 7.593) 7.717 11.914 ( -0.371 0.000 2.629) 2.655 11.914 ( 0.371 0.000 2.629) 2.655 12.656 ( -3.750 0.000 -8.596) 9.378 12.656 ( 3.750 0.000 -8.596) 9.378 15.305 ( -0.131 0.000 -0.823) 0.833 15.305 ( 0.131 0.000 -0.823) 0.833 30.988 ( -3.746 0.000 -1.553) 4.055 30.988 ( 3.746 0.000 -1.553) 4.055 34.285 ( -2.607 0.000 1.510) 3.013 34.285 ( 2.607 0.000 1.510) 3.013 77.447 ( -0.066 0.000 4.126) 4.126 77.447 ( 0.066 0.000 4.126) 4.126 ======================= Grid point 510 (153/240) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 1.967 ( 0.000 6.774 23.501) 24.458 2.267 ( 0.000 -14.490 34.121) 37.070 3.056 ( 0.000 0.056 -11.354) 11.354 3.665 ( 0.000 6.635 7.623) 10.106 4.191 ( 0.000 15.448 20.059) 25.318 5.769 ( 0.000 5.599 -14.205) 15.268 7.883 ( 0.000 -5.589 9.625) 11.130 8.037 ( 0.000 0.173 5.333) 5.335 8.312 ( 0.000 -6.686 -5.785) 8.841 8.361 ( 0.000 -0.667 -4.186) 4.239 10.429 ( 0.000 -0.489 7.595) 7.611 10.697 ( 0.000 5.189 -4.344) 6.767 11.040 ( 0.000 -0.788 1.897) 2.054 11.210 ( 0.000 0.035 -3.063) 3.064 13.011 ( 0.000 0.486 0.177) 0.518 13.217 ( 0.000 -1.737 -6.019) 6.265 16.753 ( 0.000 -17.035 7.815) 18.742 17.234 ( 0.000 3.410 -12.871) 13.315 29.853 ( 0.000 0.925 5.706) 5.781 30.248 ( 0.000 -0.321 -5.935) 5.944 34.210 ( 0.000 2.571 6.732) 7.206 34.761 ( 0.000 -2.685 -8.741) 9.145 77.912 ( 0.000 7.350 11.445) 13.602 78.819 ( 0.000 24.366 -19.342) 31.110 ======================= Grid point 511 (154/240) ======================= q-point: ( 0.07 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.186 ( 12.683 -2.932 26.454) 29.483 2.428 ( 19.628 -3.450 27.108) 33.645 3.368 ( 27.451 -0.555 -11.718) 29.853 3.692 ( 3.260 4.548 2.861) 6.285 4.264 ( 8.153 15.495 22.644) 28.624 5.755 ( -0.884 4.827 -12.907) 13.808 7.768 ( -7.989 -3.365 7.606) 11.532 7.905 ( -9.139 1.660 2.683) 9.668 8.439 ( 11.224 -5.842 -1.833) 12.786 8.553 ( 12.363 -2.575 -4.484) 13.401 10.328 ( -7.192 0.233 7.377) 10.305 10.587 ( -7.725 4.130 -3.392) 9.394 11.189 ( 10.798 -1.292 0.769) 10.903 11.319 ( 8.937 0.020 -3.168) 9.482 12.987 ( -2.297 0.704 0.648) 2.488 13.227 ( 0.649 -2.557 -6.937) 7.421 16.673 ( -7.523 -15.753 7.760) 19.105 17.128 ( -9.908 3.117 -11.542) 15.528 29.906 ( 5.081 0.950 5.738) 7.723 30.328 ( 7.217 -0.811 -7.165) 10.202 34.204 ( -0.503 2.370 6.647) 7.075 34.728 ( -3.017 -2.365 -7.934) 8.812 77.879 ( -3.069 7.017 10.806) 13.245 78.653 ( -14.621 23.393 -13.878) 30.881 ======================= Grid point 512 (155/240) ======================= q-point: ( 0.14 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.406 ( 10.975 -11.609 26.723) 31.134 2.919 ( 21.369 10.843 22.956) 33.184 3.768 ( 6.541 -2.489 -8.952) 11.363 4.065 ( 32.864 1.621 -13.730) 35.653 4.605 ( 26.616 12.565 25.101) 38.682 5.777 ( 4.922 2.245 -8.515) 10.088 7.621 ( -5.883 -0.346 5.353) 7.962 7.730 ( -7.451 1.755 1.742) 7.850 8.681 ( 11.001 -5.180 -1.775) 12.288 8.790 ( 10.220 -2.045 -4.018) 11.170 10.212 ( -3.378 0.182 6.649) 7.460 10.451 ( -4.646 3.678 -2.702) 6.512 11.401 ( 9.247 -1.948 0.633) 9.471 11.524 ( 10.203 0.373 -3.788) 10.890 12.919 ( -4.189 0.844 1.830) 4.648 13.222 ( -1.649 -3.860 -8.302) 9.303 16.459 ( -12.826 -12.640 7.275) 19.422 16.852 ( -16.242 2.281 -9.111) 18.762 30.054 ( 8.994 1.016 5.693) 10.693 30.513 ( 10.037 -1.450 -8.777) 13.412 34.192 ( -0.634 1.847 6.353) 6.646 34.649 ( -4.327 -1.778 -6.353) 7.890 77.793 ( -4.968 6.111 9.246) 12.145 78.301 ( -17.774 20.022 -4.944) 27.225 ======================= Grid point 513 (156/240) ======================= q-point: ( 0.21 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.657 ( 13.263 -11.121 21.245) 27.403 3.244 ( 11.474 13.756 20.941) 27.557 3.886 ( 5.085 -3.605 -9.486) 11.351 4.582 ( 14.114 5.122 -18.699) 23.981 5.322 ( 40.092 5.311 19.536) 44.914 6.045 ( 21.638 -2.421 -2.345) 21.898 7.528 ( -3.033 0.416 3.306) 4.506 7.614 ( -3.347 0.829 1.848) 3.912 8.864 ( 6.631 -3.605 -3.384) 8.272 8.967 ( 6.942 -2.204 -3.489) 8.076 10.194 ( 1.448 -0.037 5.971) 6.144 10.412 ( 0.820 4.096 -2.126) 4.687 11.572 ( 7.621 -1.572 1.528) 7.930 11.717 ( 8.272 1.015 -4.541) 9.491 12.822 ( -5.066 0.788 2.825) 5.854 13.151 ( -5.247 -4.435 -8.896) 11.240 16.167 ( -15.133 -9.169 6.059) 18.702 16.484 ( -19.049 1.617 -7.050) 20.376 30.263 ( 11.064 1.107 5.282) 12.310 30.716 ( 9.314 -1.445 -8.802) 12.896 34.181 ( -0.284 1.176 5.809) 5.933 34.559 ( -4.346 -1.372 -4.844) 6.651 77.685 ( -5.313 4.868 7.494) 10.396 77.969 ( -13.915 14.915 0.294) 20.400 ======================= Grid point 514 (157/240) ======================= q-point: ( 0.29 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.939 ( 13.809 -8.378 14.468) 21.684 3.430 ( 6.936 8.912 13.276) 17.429 3.987 ( 4.964 -2.706 -3.932) 6.887 4.679 ( -1.945 7.185 -16.595) 18.188 6.114 ( 33.696 -0.424 12.564) 35.964 6.534 ( 20.797 -4.578 -0.880) 21.314 7.531 ( 4.834 -0.464 3.399) 5.927 7.621 ( 5.149 -0.289 2.009) 5.535 8.962 ( 3.215 -3.046 -4.551) 6.350 9.076 ( 3.787 -2.574 -4.322) 6.296 10.261 ( 4.816 0.259 5.971) 7.676 10.475 ( 4.927 4.651 -1.252) 6.890 11.715 ( 6.111 -0.352 2.775) 6.721 11.860 ( 5.596 1.316 -4.555) 7.335 12.719 ( -4.756 0.843 2.439) 5.411 13.018 ( -7.195 -4.071 -9.400) 12.518 15.853 ( -15.030 -6.111 4.474) 16.830 16.089 ( -18.842 1.742 -5.286) 19.647 30.495 ( 11.199 1.189 4.311) 12.058 30.885 ( 6.914 -0.930 -7.531) 10.266 34.182 ( 0.398 0.510 5.031) 5.073 34.474 ( -3.928 -1.192 -3.378) 5.317 77.583 ( -4.471 3.554 6.086) 8.346 77.734 ( -9.085 9.725 2.337) 13.512 ======================= Grid point 515 (158/240) ======================= q-point: ( 0.36 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.211 ( 12.323 -4.831 7.190) 15.063 3.535 ( 3.376 1.716 4.909) 6.200 4.091 ( 5.090 -1.472 1.593) 5.533 4.581 ( -6.496 6.662 -10.667) 14.155 6.610 ( 14.083 -4.498 5.632) 15.821 6.788 ( 4.902 -5.000 -0.642) 7.031 7.749 ( 15.074 0.127 5.326) 15.987 7.847 ( 14.997 -2.559 2.326) 15.390 9.009 ( 1.704 -3.304 -5.425) 6.577 9.129 ( 1.403 -2.403 -6.140) 6.741 10.385 ( 7.014 0.259 6.723) 9.719 10.595 ( 6.197 4.271 0.658) 7.555 11.817 ( 3.693 0.748 4.072) 5.548 11.950 ( 3.381 2.046 -3.479) 5.265 12.635 ( -3.082 0.811 -0.056) 3.188 12.872 ( -6.726 -2.981 -10.333) 12.684 15.563 ( -12.682 -3.510 2.966) 13.489 15.729 ( -15.678 2.421 -3.552) 16.257 30.713 ( 9.695 1.201 2.781) 10.157 30.995 ( 3.697 -0.246 -5.653) 6.759 34.198 ( 1.182 -0.067 4.043) 4.213 34.398 ( -3.444 -1.116 -1.809) 4.048 77.506 ( -2.994 2.337 5.154) 6.402 77.588 ( -5.285 5.636 3.067) 8.313 ======================= Grid point 516 (159/240) ======================= q-point: ( 0.43 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.430 ( 8.512 -2.112 0.391) 8.779 3.574 ( 0.490 -2.998 -0.716) 3.121 4.190 ( 4.394 -0.773 4.295) 6.193 4.442 ( -6.466 4.760 -3.503) 8.760 6.764 ( 3.189 -6.068 1.818) 7.092 6.821 ( -0.189 -5.844 -0.094) 5.848 8.053 ( 12.240 -1.150 5.328) 13.399 8.121 ( 9.663 -2.523 2.938) 10.410 9.042 ( 1.550 -3.071 -6.059) 6.967 9.138 ( -0.392 -2.011 -8.084) 8.339 10.533 ( 6.729 -0.653 7.648) 10.208 10.701 ( 3.456 2.889 3.485) 5.695 11.866 ( 1.218 0.967 4.621) 4.876 12.005 ( 1.952 4.310 -1.392) 4.932 12.603 ( 0.144 0.030 -4.382) 4.385 12.747 ( -5.360 -1.614 -10.724) 12.098 15.352 ( -7.362 -1.388 1.583) 7.657 15.465 ( -9.439 2.950 -1.857) 10.062 30.886 ( 7.003 1.072 0.842) 7.134 31.034 ( 0.081 0.397 -3.532) 3.555 34.230 ( 1.896 -0.522 2.838) 3.453 34.332 ( -2.972 -1.023 -0.169) 3.148 77.461 ( -1.344 1.379 4.574) 4.963 77.509 ( -2.516 3.190 3.434) 5.320 ======================= Grid point 517 (160/240) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.546 ( 0.000 -2.449 -2.972) 3.851 3.553 ( -0.000 -2.862 -2.617) 3.878 4.254 ( 0.000 -0.754 3.878) 3.950 4.352 ( -0.000 3.590 1.328) 3.828 6.796 ( 0.000 -6.304 0.570) 6.330 6.813 ( 0.000 -6.356 0.470) 6.373 8.197 ( 0.000 -2.484 4.777) 5.384 8.209 ( 0.000 -1.772 3.283) 3.731 9.064 ( 0.000 -2.589 -5.831) 6.380 9.127 ( 0.000 -1.888 -9.412) 9.599 10.616 ( 0.000 -1.679 7.890) 8.066 10.731 ( 0.000 2.396 5.132) 5.664 11.877 ( 0.000 0.977 4.632) 4.734 12.026 ( 0.000 5.727 -0.107) 5.728 12.630 ( -0.000 -1.372 -7.906) 8.024 12.667 ( 0.000 -0.190 -9.631) 9.633 15.275 ( 0.000 -0.410 0.762) 0.865 15.364 ( 0.000 3.026 -0.893) 3.155 30.989 ( -0.000 0.493 -1.158) 1.258 31.005 ( 0.000 1.163 -1.485) 1.886 34.274 ( -0.000 -0.908 1.453) 1.714 34.277 ( 0.000 -0.766 1.381) 1.579 77.448 ( 0.000 0.991 4.324) 4.436 77.483 ( 0.000 2.410 3.615) 4.345 ======================= Grid point 525 (161/240) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.046 ( 0.000 -4.435 26.895) 27.258 2.155 ( 0.000 10.612 17.854) 20.769 3.054 ( 0.000 -0.308 -10.027) 10.032 3.678 ( 0.000 -4.080 -16.217) 16.722 4.677 ( 0.000 27.740 30.649) 41.338 5.925 ( 0.000 9.205 -6.947) 11.532 7.760 ( 0.000 -5.858 8.676) 10.469 8.042 ( 0.000 0.323 4.635) 4.646 8.152 ( 0.000 -7.592 -5.213) 9.209 8.342 ( 0.000 -1.103 -4.194) 4.337 10.417 ( 0.000 -1.361 6.737) 6.873 10.772 ( 0.000 1.313 -6.873) 6.998 11.020 ( 0.000 -1.091 2.428) 2.662 11.209 ( 0.000 -0.155 -3.085) 3.089 12.991 ( 0.000 -2.887 -0.386) 2.913 13.225 ( 0.000 3.554 -5.063) 6.186 16.384 ( 0.000 -17.538 15.840) 23.632 17.233 ( 0.000 -3.000 -18.370) 18.613 29.879 ( 0.000 1.574 5.234) 5.466 30.238 ( 0.000 -0.596 -5.332) 5.365 34.269 ( 0.000 2.785 3.637) 4.581 34.691 ( 0.000 -3.714 -7.278) 8.171 78.187 ( 0.000 18.212 12.799) 22.260 79.331 ( 0.000 21.537 -26.732) 34.328 ======================= Grid point 526 (162/240) ======================= q-point: ( 0.07 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.076 ( 4.674 -2.851 24.049) 24.664 2.517 ( 29.526 8.815 17.812) 35.591 3.354 ( 25.882 -0.960 -11.066) 28.165 3.689 ( 2.299 -3.955 -15.408) 16.073 4.725 ( 5.318 25.889 29.249) 39.421 5.893 ( -2.751 8.262 -5.765) 10.443 7.698 ( -4.501 -3.834 7.555) 9.593 7.917 ( -7.960 -0.180 -0.272) 7.967 8.317 ( 12.076 -5.497 -0.206) 13.270 8.490 ( 11.348 -2.608 -4.450) 12.465 10.333 ( -6.368 -0.266 6.228) 8.911 10.657 ( -7.845 1.881 -5.481) 9.753 11.147 ( 9.350 -2.604 1.311) 9.794 11.316 ( 8.844 -0.423 -3.112) 9.385 12.980 ( -1.237 -2.239 -0.430) 2.594 13.206 ( -1.804 2.037 -5.226) 5.892 16.327 ( -5.423 -16.658 15.090) 23.121 17.128 ( -9.825 -2.679 -16.993) 19.811 29.934 ( 5.150 1.618 5.250) 7.530 30.307 ( 6.326 -1.109 -5.932) 8.743 34.260 ( -0.892 2.622 3.756) 4.667 34.665 ( -2.390 -3.378 -6.805) 7.964 78.143 ( -4.142 17.463 12.089) 21.639 79.154 ( -16.040 21.568 -21.648) 34.512 ======================= Grid point 527 (163/240) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.232 ( 10.222 -3.711 20.055) 22.814 3.156 ( 27.236 11.570 17.937) 34.604 3.665 ( 4.936 -6.799 -17.398) 19.320 4.110 ( 35.211 1.970 -10.487) 36.792 4.945 ( 17.580 18.804 24.251) 35.366 5.848 ( -0.230 4.629 -2.391) 5.216 7.611 ( -3.658 -1.668 5.788) 7.047 7.752 ( -7.926 0.766 -0.397) 7.973 8.581 ( 12.517 -4.546 -0.501) 13.327 8.726 ( 10.464 -2.759 -4.843) 11.856 10.221 ( -3.549 0.502 5.632) 6.676 10.525 ( -4.090 2.818 -4.727) 6.856 11.342 ( 9.120 -3.598 1.180) 9.874 11.525 ( 10.727 -0.529 -3.763) 11.380 12.932 ( -3.440 -0.576 -0.055) 3.489 13.149 ( -3.843 -1.399 -5.694) 7.010 16.169 ( -9.555 -14.310 13.169) 21.668 16.853 ( -16.189 -1.982 -13.910) 21.436 30.083 ( 9.112 1.737 5.196) 10.633 30.476 ( 9.578 -1.879 -6.790) 11.890 34.236 ( -1.305 2.155 3.977) 4.708 34.601 ( -3.701 -2.723 -5.742) 7.354 78.026 ( -6.922 15.341 10.300) 19.732 78.745 ( -21.894 20.087 -11.864) 31.993 ======================= Grid point 528 (164/240) ======================= q-point: ( 0.21 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.484 ( 13.979 -4.628 14.837) 20.903 3.486 ( 6.023 5.886 6.812) 10.831 3.832 ( 10.346 2.021 -2.741) 10.892 4.725 ( 19.557 7.771 -13.237) 24.861 5.460 ( 30.830 7.381 16.459) 35.719 5.974 ( 14.815 -3.930 2.259) 15.493 7.552 ( -2.062 0.713 3.617) 4.225 7.603 ( -5.638 -1.236 1.349) 5.928 8.797 ( 7.971 -3.080 -2.242) 8.835 8.897 ( 6.106 -3.295 -4.965) 8.532 10.204 ( 1.857 0.989 5.407) 5.802 10.503 ( 1.803 4.055 -4.108) 6.048 11.523 ( 8.678 -3.048 1.504) 9.320 11.734 ( 9.228 0.312 -4.703) 10.362 12.844 ( -4.843 0.711 0.463) 4.917 13.047 ( -5.921 -4.028 -6.280) 9.525 15.948 ( -11.593 -11.082 10.772) 19.319 16.490 ( -18.552 -1.029 -10.572) 21.378 30.295 ( 11.194 1.893 4.847) 12.345 30.679 ( 9.662 -1.968 -6.777) 11.965 34.210 ( -1.078 1.456 4.042) 4.429 34.520 ( -4.007 -2.230 -4.513) 6.434 77.872 ( -7.782 12.228 8.174) 16.640 78.310 ( -19.510 16.109 -4.278) 25.661 ======================= Grid point 529 (165/240) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.792 ( 15.508 -5.071 9.446) 18.853 3.535 ( 0.201 -1.125 -1.434) 1.834 4.011 ( 6.812 7.387 7.546) 12.567 4.875 ( -1.918 11.048 -10.849) 15.602 6.094 ( 27.394 -1.522 10.271) 29.296 6.390 ( 20.274 -9.044 2.504) 22.340 7.519 ( 1.390 -1.258 3.346) 3.836 7.600 ( 5.282 -1.619 2.335) 5.998 8.904 ( 2.866 -2.281 -3.977) 5.407 8.991 ( 3.384 -4.885 -5.048) 7.798 10.285 ( 5.598 2.049 5.503) 8.113 10.582 ( 5.310 5.081 -3.228) 8.027 11.697 ( 8.055 -1.326 1.816) 8.363 11.894 ( 6.269 1.666 -4.644) 7.977 12.745 ( -4.625 1.245 -0.019) 4.790 12.915 ( -6.634 -4.868 -7.306) 11.004 15.707 ( -11.508 -7.369 8.450) 16.067 16.111 ( -17.792 0.318 -7.407) 19.275 30.530 ( 11.270 2.016 4.039) 12.141 30.860 ( 7.719 -1.346 -5.842) 9.774 34.195 ( -0.383 0.643 3.802) 3.875 34.439 ( -3.793 -1.993 -3.174) 5.332 77.717 ( -6.993 8.728 6.352) 12.862 77.961 ( -14.289 11.077 -0.103) 18.080 ======================= Grid point 530 (166/240) ======================= q-point: ( 0.36 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.106 ( 14.613 -4.749 4.262) 15.946 3.517 ( -1.651 -3.977 -2.409) 4.934 4.125 ( 4.572 5.484 8.923) 11.428 4.752 ( -8.656 9.132 -6.342) 14.090 6.490 ( 10.953 -6.619 6.141) 14.194 6.654 ( 5.187 -7.399 1.449) 9.152 7.682 ( 13.431 -6.768 5.294) 15.945 7.803 ( 13.120 -1.661 1.835) 13.352 8.942 ( 1.385 -2.916 -4.637) 5.650 9.039 ( 1.359 -5.552 -6.107) 8.365 10.419 ( 7.085 2.985 5.761) 9.607 10.696 ( 5.094 4.911 -1.490) 7.231 11.843 ( 5.708 1.500 2.749) 6.511 12.001 ( 4.535 2.630 -4.004) 6.596 12.659 ( -3.604 1.303 -1.730) 4.205 12.789 ( -5.342 -4.505 -9.311) 11.642 15.489 ( -9.341 -3.404 6.377) 11.811 15.774 ( -14.643 1.778 -4.345) 15.377 30.747 ( 9.619 2.008 2.761) 10.207 30.988 ( 4.596 -0.386 -4.353) 6.342 34.196 ( 0.501 -0.162 3.231) 3.274 34.366 ( -3.347 -1.873 -1.715) 4.201 77.591 ( -5.106 5.532 5.113) 9.101 77.722 ( -9.003 6.670 1.867) 11.359 ======================= Grid point 531 (167/240) ======================= q-point: ( 0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.369 ( 10.107 -3.694 -0.485) 10.772 3.480 ( -1.616 -5.711 -1.803) 6.203 4.208 ( 3.725 2.832 7.915) 9.194 4.560 ( -9.114 6.149 -1.499) 11.096 6.611 ( 2.678 -8.097 3.791) 9.333 6.679 ( -1.010 -6.901 1.641) 7.165 7.960 ( 11.204 -8.501 5.298) 15.028 8.047 ( 8.791 -4.234 2.166) 9.995 8.974 ( 1.787 -3.379 -4.970) 6.270 9.050 ( -0.219 -5.680 -7.271) 9.230 10.560 ( 6.055 3.246 5.809) 8.997 10.771 ( 1.913 3.576 1.043) 4.187 11.925 ( 2.389 4.288 4.247) 6.491 12.090 ( 3.843 3.685 -3.420) 6.328 12.604 ( -1.413 0.067 -4.762) 4.968 12.696 ( -3.796 -3.189 -10.931) 12.003 15.339 ( -4.870 0.181 4.364) 6.542 15.525 ( -9.101 2.663 -1.414) 9.587 30.917 ( 6.681 1.772 1.130) 7.004 31.045 ( 0.881 0.592 -2.598) 2.806 34.215 ( 1.364 -0.861 2.345) 2.846 34.302 ( -2.780 -1.704 -0.223) 3.268 77.512 ( -2.589 3.263 4.405) 6.063 77.586 ( -4.366 3.838 2.738) 6.426 ======================= Grid point 532 (168/240) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.459 ( 0.000 -5.872 -1.532) 6.069 3.483 ( 0.000 -3.480 -2.789) 4.459 4.264 ( 0.000 1.801 6.376) 6.625 4.439 ( -0.000 4.543 1.996) 4.962 6.645 ( 0.000 -8.818 2.872) 9.274 6.653 ( 0.000 -6.559 2.009) 6.859 8.084 ( 0.000 -8.850 5.363) 10.349 8.136 ( 0.000 -5.229 2.071) 5.624 9.001 ( 0.000 -3.688 -4.522) 5.835 9.041 ( 0.000 -5.462 -8.347) 9.976 10.633 ( 0.000 3.299 5.529) 6.438 10.783 ( 0.000 2.639 2.578) 3.690 11.948 ( 0.000 5.402 4.862) 7.268 12.134 ( 0.000 4.483 -2.643) 5.204 12.600 ( 0.000 -1.434 -7.568) 7.703 12.644 ( 0.000 -1.970 -10.717) 10.896 15.291 ( 0.000 1.932 3.009) 3.576 15.425 ( 0.000 2.693 0.318) 2.712 31.007 ( -0.000 1.186 -0.452) 1.269 31.033 ( 0.000 1.452 -0.980) 1.752 34.249 ( -0.000 -1.418 1.230) 1.878 34.254 ( 0.000 -1.344 1.110) 1.743 77.485 ( 0.000 2.424 4.141) 4.798 77.541 ( 0.000 2.894 3.022) 4.184 ======================= Grid point 540 (169/240) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.114 ( 0.000 10.541 10.235) 14.692 2.386 ( 0.000 10.867 11.600) 15.895 3.039 ( 0.000 -1.275 -8.036) 8.136 3.525 ( 0.000 -10.399 -23.605) 25.794 5.266 ( 0.000 27.465 27.518) 38.879 6.139 ( 0.000 10.372 1.672) 10.506 7.644 ( 0.000 -4.784 6.836) 8.344 8.011 ( 0.000 -6.212 -3.429) 7.095 8.050 ( 0.000 0.391 3.744) 3.764 8.318 ( 0.000 -1.147 -4.183) 4.338 10.365 ( 0.000 -3.208 1.773) 3.665 10.738 ( 0.000 -4.499 -10.084) 11.042 10.998 ( 0.000 -0.923 3.001) 3.140 11.203 ( 0.000 -0.356 -3.020) 3.041 12.921 ( 0.000 -2.858 3.163) 4.263 13.347 ( 0.000 7.052 -4.272) 8.245 16.045 ( 0.000 -14.304 19.073) 23.840 17.137 ( 0.000 -5.394 -22.132) 22.779 29.915 ( 0.000 1.710 4.585) 4.894 30.224 ( 0.000 -0.731 -4.520) 4.579 34.318 ( 0.000 1.786 1.305) 2.212 34.616 ( 0.000 -3.249 -6.269) 7.061 78.626 ( 0.000 22.614 11.009) 25.152 79.653 ( 0.000 8.792 -23.271) 24.877 ======================= Grid point 541 (170/240) ======================= q-point: ( 0.07 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.151 ( 3.846 9.975 9.348) 14.202 2.722 ( 29.176 9.909 11.600) 32.924 3.319 ( 21.347 -2.847 -10.789) 24.088 3.552 ( 6.567 -8.734 -20.232) 22.995 5.275 ( 1.285 25.705 26.141) 36.684 6.088 ( -4.694 9.559 2.443) 10.926 7.604 ( -3.084 -4.439 6.405) 8.381 7.898 ( -6.368 -2.248 -2.000) 7.043 8.220 ( 11.805 -3.343 2.554) 12.532 8.457 ( 11.417 -0.731 -4.669) 12.356 10.310 ( -4.375 -1.620 1.455) 4.887 10.649 ( -6.225 -2.747 -8.458) 10.856 11.091 ( 7.282 -2.593 1.863) 7.951 11.297 ( 8.058 -1.325 -3.344) 8.824 12.913 ( -0.927 -3.114 2.457) 4.074 13.308 ( -3.737 6.476 -4.045) 8.501 16.003 ( -4.014 -13.757 18.321) 23.260 17.041 ( -9.050 -4.954 -20.800) 23.219 29.970 ( 5.251 1.766 4.587) 7.192 30.284 ( 5.593 -1.059 -4.700) 7.382 34.306 ( -1.119 1.725 1.487) 2.537 34.596 ( -1.895 -3.049 -5.969) 6.965 78.563 ( -5.973 21.565 10.447) 24.695 79.487 ( -15.328 9.720 -19.807) 26.865 ======================= Grid point 542 (171/240) ======================= q-point: ( 0.14 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.275 ( 8.122 7.631 7.700) 13.546 3.353 ( 17.787 2.922 1.418) 18.082 3.527 ( 16.820 -2.593 -9.684) 19.581 4.128 ( 38.766 -0.336 -8.507) 39.690 5.351 ( 7.238 19.239 21.520) 29.760 5.970 ( -5.974 6.512 4.585) 9.956 7.539 ( -2.998 -4.319 5.666) 7.729 7.759 ( -7.181 -0.999 -1.471) 7.398 8.487 ( 12.995 -3.862 2.299) 13.751 8.706 ( 11.220 0.552 -5.631) 12.566 10.231 ( -2.411 0.555 1.247) 2.770 10.551 ( -2.421 -0.604 -7.537) 7.939 11.259 ( 8.808 -3.985 1.755) 9.826 11.497 ( 10.804 -2.019 -4.231) 11.778 12.877 ( -2.597 -3.553 0.826) 4.478 13.199 ( -6.630 5.055 -3.548) 9.061 15.887 ( -7.006 -12.145 16.424) 21.595 16.787 ( -15.038 -3.874 -17.442) 23.353 30.122 ( 9.281 1.915 4.525) 10.502 30.439 ( 9.094 -1.611 -4.914) 10.462 34.275 ( -1.766 1.516 1.907) 3.009 34.543 ( -3.166 -2.640 -5.193) 6.631 78.393 ( -10.215 18.664 9.004) 23.103 79.077 ( -23.068 10.868 -12.336) 28.327 ======================= Grid point 543 (172/240) ======================= q-point: ( 0.21 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.480 ( 11.639 4.191 5.687) 13.616 3.419 ( -0.126 -9.028 -15.519) 17.955 4.034 ( 19.406 13.569 13.979) 27.498 4.870 ( 28.325 5.421 -9.580) 30.389 5.617 ( 18.820 7.293 13.654) 24.369 5.904 ( 2.629 -2.184 8.087) 8.779 7.492 ( -1.390 -4.748 4.501) 6.688 7.609 ( -6.817 -0.093 0.023) 6.817 8.717 ( 8.821 -3.864 0.848) 9.667 8.875 ( 4.875 0.835 -6.279) 7.993 10.236 ( 3.037 2.101 1.822) 4.118 10.564 ( 3.500 1.509 -6.728) 7.733 11.451 ( 9.881 -3.654 1.884) 10.702 11.722 ( 10.566 -1.492 -5.281) 11.906 12.807 ( -4.103 -3.780 -1.208) 5.709 13.046 ( -7.948 3.463 -3.256) 9.261 15.727 ( -8.233 -9.575 14.080) 18.913 16.450 ( -17.071 -2.444 -13.199) 21.716 30.338 ( 11.360 2.096 4.250) 12.309 30.639 ( 9.916 -1.744 -4.687) 11.105 34.238 ( -1.741 1.114 2.296) 3.090 34.471 ( -3.693 -2.310 -4.134) 6.005 78.161 ( -11.857 14.579 7.231) 20.135 78.593 ( -22.893 10.187 -5.456) 25.645 ======================= Grid point 544 (173/240) ======================= q-point: ( 0.29 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.743 ( 13.651 0.603 3.688) 14.153 3.411 ( -0.679 -8.874 -12.062) 14.990 4.269 ( 5.059 15.278 16.768) 23.241 5.116 ( -2.641 11.187 -5.689) 12.826 6.054 ( 20.239 -2.255 7.831) 21.817 6.170 ( 19.786 -11.260 6.537) 23.686 7.457 ( -1.883 -4.246 3.272) 5.682 7.564 ( 4.347 -2.166 1.528) 5.092 8.844 ( 3.596 -3.702 -1.275) 5.316 8.925 ( 0.850 -0.823 -6.368) 6.477 10.343 ( 6.878 3.384 2.842) 8.176 10.671 ( 6.106 3.099 -5.256) 8.632 11.663 ( 10.531 -1.805 1.498) 10.789 11.916 ( 8.059 0.212 -5.238) 9.614 12.720 ( -4.072 -3.805 -3.835) 6.766 12.883 ( -7.685 2.188 -3.646) 8.783 15.561 ( -7.550 -6.215 11.712) 15.257 16.105 ( -16.043 -0.736 -8.802) 18.313 30.575 ( 11.336 2.213 3.640) 12.110 30.832 ( 8.527 -1.291 -3.923) 9.475 34.207 ( -1.160 0.525 2.444) 2.756 34.395 ( -3.647 -2.129 -2.897) 5.121 77.922 ( -11.019 10.201 5.645) 16.041 78.164 ( -18.349 7.811 -1.010) 19.968 ======================= Grid point 545 (174/240) ======================= q-point: ( 0.36 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.028 ( 13.594 -2.467 1.808) 13.934 3.390 ( -1.393 -7.310 -6.852) 10.116 4.308 ( 0.005 11.214 15.034) 18.756 4.939 ( -12.021 8.027 -0.902) 14.483 6.348 ( 8.471 -6.526 6.679) 12.608 6.493 ( 8.584 -7.745 2.971) 11.937 7.520 ( 8.662 -7.481 4.695) 12.371 7.735 ( 10.574 -5.279 0.338) 11.823 8.882 ( 0.817 -3.156 -3.125) 4.515 8.936 ( 0.392 -3.371 -6.046) 6.933 10.499 ( 7.890 4.377 3.551) 9.696 10.786 ( 4.516 3.416 -2.964) 6.391 11.871 ( 9.267 1.103 1.170) 9.406 12.053 ( 5.561 2.116 -4.246) 7.309 12.648 ( -2.873 -3.492 -6.735) 8.112 12.737 ( -6.324 0.939 -5.180) 8.228 15.427 ( -5.226 -2.375 9.327) 10.952 15.803 ( -13.166 0.977 -4.558) 13.967 30.792 ( 9.482 2.166 2.680) 10.089 30.979 ( 5.610 -0.459 -2.777) 6.276 34.192 ( -0.272 -0.171 2.257) 2.280 34.324 ( -3.207 -2.000 -1.571) 4.093 77.720 ( -8.320 6.389 4.527) 11.425 77.848 ( -12.303 5.020 1.305) 13.352 ======================= Grid point 546 (175/240) ======================= q-point: ( 0.43 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.275 ( 9.100 -5.130 0.235) 10.449 3.362 ( -0.613 -4.945 -2.103) 5.408 4.308 ( 0.610 6.404 11.771) 13.414 4.681 ( -11.770 4.968 2.423) 13.003 6.449 ( 2.539 -6.701 5.750) 9.188 6.554 ( -0.476 -5.037 2.717) 5.743 7.736 ( 9.680 -11.359 4.733) 15.656 7.926 ( 6.755 -7.578 -0.063) 10.152 8.899 ( 0.956 -3.728 -3.738) 5.365 8.939 ( -0.080 -4.206 -6.059) 7.376 10.651 ( 6.440 4.912 3.476) 8.814 10.841 ( 0.786 2.930 -0.308) 3.049 12.024 ( 5.201 4.691 2.529) 7.447 12.158 ( 4.615 2.775 -4.396) 6.951 12.595 ( -2.300 -1.941 -7.218) 7.820 12.632 ( -3.695 -1.627 -9.137) 9.989 15.356 ( -1.605 1.235 6.705) 7.004 15.574 ( -8.727 1.987 -0.609) 8.971 30.956 ( 6.257 1.876 1.449) 6.691 31.057 ( 1.835 0.471 -1.427) 2.372 34.197 ( 0.706 -0.854 1.722) 2.048 34.265 ( -2.508 -1.790 -0.277) 3.094 77.588 ( -4.414 3.789 3.899) 7.002 77.659 ( -6.111 2.969 2.312) 7.177 ======================= Grid point 547 (176/240) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.329 ( 0.000 -5.945 0.754) 5.993 3.403 ( 0.000 -4.178 -1.464) 4.427 4.330 ( 0.000 4.366 9.454) 10.413 4.531 ( 0.000 3.872 4.713) 6.100 6.477 ( 0.000 -6.618 5.156) 8.389 6.538 ( 0.000 -4.395 3.064) 5.357 7.845 ( 0.000 -12.647 4.566) 13.446 7.995 ( 0.000 -8.210 -0.147) 8.211 8.912 ( 0.000 -4.370 -3.636) 5.685 8.937 ( 0.000 -4.058 -6.254) 7.455 10.732 ( 0.000 5.425 2.891) 6.147 10.837 ( 0.000 2.259 1.323) 2.618 12.078 ( 0.000 6.415 3.706) 7.408 12.214 ( 0.000 3.134 -4.505) 5.488 12.569 ( 0.000 -1.555 -7.277) 7.441 12.590 ( 0.000 -2.922 -11.445) 11.812 15.349 ( 0.000 3.357 4.618) 5.709 15.472 ( 0.000 1.707 1.956) 2.596 31.035 ( 0.000 1.419 0.292) 1.449 31.062 ( 0.000 1.171 -0.234) 1.194 34.218 ( -0.000 -1.394 0.919) 1.670 34.224 ( 0.000 -1.432 0.794) 1.638 77.542 ( 0.000 2.845 3.685) 4.655 77.596 ( 0.000 2.251 2.599) 3.439 ======================= Grid point 555 (177/240) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.439 ( 0.000 19.088 -6.605) 20.199 2.588 ( 0.000 7.860 6.455) 10.171 3.000 ( 0.000 -2.216 -5.736) 6.149 3.245 ( 0.000 -16.229 -23.774) 28.785 5.790 ( 0.000 21.879 22.702) 31.529 6.296 ( 0.000 2.862 11.095) 11.458 7.592 ( 0.000 0.612 3.159) 3.217 7.871 ( 0.000 -7.376 -0.109) 7.377 8.057 ( 0.000 0.287 2.994) 3.008 8.297 ( 0.000 -0.742 -4.153) 4.218 10.310 ( 0.000 -1.467 -3.908) 4.174 10.610 ( 0.000 -6.569 -14.177) 15.625 10.983 ( 0.000 -0.500 3.410) 3.447 11.196 ( 0.000 -0.308 -2.906) 2.922 12.884 ( 0.000 -0.863 8.279) 8.323 13.480 ( 0.000 4.982 -3.773) 6.249 15.807 ( 0.000 -8.011 19.751) 21.314 17.035 ( 0.000 -3.829 -24.717) 25.012 29.946 ( 0.000 1.166 3.981) 4.148 30.210 ( 0.000 -0.560 -3.784) 3.825 34.345 ( 0.000 0.811 0.027) 0.811 34.561 ( 0.000 -1.887 -5.832) 6.130 79.085 ( 0.000 20.181 6.196) 21.111 79.704 ( 0.000 -3.418 -14.242) 14.647 ======================= Grid point 556 (178/240) ======================= q-point: ( 0.07 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.455 ( 1.924 17.833 -6.031) 18.923 2.905 ( 27.582 6.906 6.202) 29.102 3.190 ( 5.131 -11.111 -17.472) 21.332 3.373 ( 24.132 -6.232 -10.948) 27.223 5.767 ( -2.035 20.587 21.817) 30.066 6.233 ( -5.876 2.650 11.163) 12.891 7.553 ( -3.195 0.399 3.332) 4.634 7.802 ( -5.170 -6.627 -0.547) 8.423 8.184 ( 10.764 -0.424 3.532) 11.336 8.448 ( 12.586 -0.262 -4.444) 13.350 10.285 ( -2.050 -0.403 -3.969) 4.485 10.558 ( -3.849 -5.121 -12.477) 14.026 11.046 ( 5.435 -1.550 2.466) 6.167 11.270 ( 6.781 -1.044 -3.477) 7.691 12.868 ( -1.530 -1.164 7.257) 7.507 13.434 ( -4.434 4.789 -3.719) 7.512 15.773 ( -3.189 -7.750 19.191) 20.942 16.947 ( -8.332 -3.555 -23.359) 25.054 30.002 ( 5.358 1.212 3.970) 6.778 30.264 ( 5.170 -0.713 -3.757) 6.431 34.332 ( -1.178 0.809 0.197) 1.442 34.544 ( -1.652 -1.815 -5.571) 6.088 78.999 ( -8.188 19.035 6.031) 21.581 79.560 ( -13.403 -2.256 -12.323) 18.346 ======================= Grid point 557 (179/240) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.522 ( 4.575 14.988 -5.278) 16.536 3.183 ( 0.207 -13.559 -19.228) 23.529 3.630 ( 36.203 6.369 7.292) 37.475 4.102 ( 41.248 -1.727 -6.454) 41.785 5.725 ( -1.356 16.003 19.047) 24.914 6.072 ( -9.283 1.756 11.436) 14.834 7.481 ( -3.531 -0.181 3.823) 5.208 7.685 ( -6.070 -5.880 -1.015) 8.512 8.439 ( 12.681 -0.864 4.221) 13.393 8.725 ( 12.343 0.824 -5.404) 13.499 10.252 ( -0.417 1.560 -3.734) 4.068 10.506 ( -0.195 -3.148 -10.728) 11.182 11.187 ( 8.159 -2.635 2.214) 8.855 11.453 ( 10.497 -1.836 -4.695) 11.645 12.819 ( -3.322 -1.857 4.685) 6.036 13.306 ( -7.688 4.289 -3.704) 9.551 15.683 ( -5.320 -6.913 17.742) 19.770 16.712 ( -13.905 -2.857 -19.733) 24.308 30.158 ( 9.456 1.337 3.896) 10.314 30.411 ( 8.756 -0.998 -3.587) 9.515 34.299 ( -1.944 0.774 0.615) 2.181 34.496 ( -2.890 -1.664 -4.853) 5.888 78.765 ( -14.019 15.995 5.565) 21.985 79.189 ( -21.555 0.121 -7.890) 22.954 ======================= Grid point 558 (180/240) ======================= q-point: ( 0.21 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.644 ( 7.228 10.807 -4.099) 13.632 3.187 ( 0.463 -12.609 -16.756) 20.975 4.294 ( 25.031 9.953 12.722) 29.790 4.938 ( 36.517 1.224 -7.186) 37.237 5.742 ( 2.857 4.168 15.532) 16.333 5.894 ( -4.861 0.847 10.876) 11.943 7.416 ( -2.539 -1.479 4.317) 5.222 7.561 ( -5.596 -4.316 -1.247) 7.176 8.663 ( 8.523 -1.232 3.330) 9.233 8.901 ( 4.368 1.153 -6.144) 7.627 10.290 ( 4.218 2.782 -2.443) 5.612 10.566 ( 5.737 -1.011 -9.209) 10.897 11.383 ( 10.899 -2.557 2.272) 11.423 11.683 ( 11.406 -1.826 -5.728) 12.893 12.736 ( -4.510 -2.475 1.351) 5.319 13.130 ( -9.069 3.586 -4.073) 10.569 15.566 ( -5.739 -5.434 15.840) 17.702 16.401 ( -15.673 -1.914 -14.817) 21.653 30.377 ( 11.517 1.486 3.665) 12.177 30.609 ( 10.024 -1.108 -3.138) 10.562 34.256 ( -2.097 0.636 1.081) 2.444 34.429 ( -3.517 -1.538 -3.820) 5.415 78.447 ( -16.288 12.005 4.898) 20.819 78.720 ( -23.113 1.871 -3.376) 23.433 ======================= Grid point 559 (181/240) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.814 ( 9.159 5.881 -2.457) 11.159 3.206 ( 1.350 -10.219 -12.114) 15.906 4.587 ( 4.191 13.664 17.410) 22.525 5.304 ( -5.012 5.847 0.423) 7.713 5.928 ( 20.232 -8.951 8.467) 23.688 6.032 ( 14.092 -1.491 6.202) 15.468 7.378 ( -1.093 -2.504 4.035) 4.873 7.497 ( 0.765 -3.896 -1.079) 4.114 8.784 ( 3.440 -1.723 0.726) 3.915 8.926 ( -0.915 0.387 -6.422) 6.498 10.417 ( 7.699 3.271 -0.357) 8.373 10.709 ( 7.175 0.652 -6.697) 9.836 11.630 ( 12.753 -1.214 1.491) 12.897 11.905 ( 9.854 -0.979 -5.673) 11.412 12.644 ( -4.148 -2.698 -2.325) 5.467 12.945 ( -8.777 2.725 -5.050) 10.487 15.459 ( -4.449 -3.400 13.675) 14.777 16.088 ( -14.458 -0.790 -9.551) 17.346 30.616 ( 11.374 1.573 3.208) 11.922 30.808 ( 9.069 -0.900 -2.399) 9.424 34.217 ( -1.681 0.355 1.401) 2.216 34.356 ( -3.537 -1.454 -2.624) 4.638 78.119 ( -15.133 8.060 4.194) 17.651 78.272 ( -19.835 2.292 -0.187) 19.967 ======================= Grid point 560 (182/240) ======================= q-point: ( 0.36 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.010 ( 9.487 0.726 -0.483) 9.527 3.239 ( 1.778 -6.582 -6.320) 9.296 4.556 ( -4.942 11.333 17.075) 21.081 5.051 ( -15.356 2.082 6.497) 16.803 6.241 ( 8.794 -3.062 6.050) 11.104 6.343 ( 11.849 -6.279 3.044) 13.751 7.411 ( 5.110 -2.284 3.286) 6.491 7.594 ( 7.400 -7.454 -0.931) 10.545 8.824 ( 0.935 -1.925 -1.827) 2.814 8.897 ( -1.418 -0.918 -6.200) 6.426 10.587 ( 8.344 3.547 1.259) 9.154 10.833 ( 4.546 1.180 -3.516) 5.867 11.889 ( 11.975 0.614 0.267) 11.994 12.080 ( 7.185 0.472 -4.511) 8.497 12.574 ( -2.620 -2.718 -5.982) 7.073 12.775 ( -7.691 1.770 -6.426) 10.177 15.391 ( -1.966 -1.077 11.113) 11.337 15.816 ( -11.800 0.369 -4.559) 12.655 30.832 ( 9.321 1.521 2.518) 9.774 30.970 ( 6.381 -0.430 -1.462) 6.561 34.190 ( -0.870 -0.045 1.454) 1.695 34.287 ( -3.061 -1.359 -1.405) 3.632 77.842 ( -11.416 4.894 3.619) 12.937 77.921 ( -13.989 1.793 1.554) 14.189 ======================= Grid point 561 (183/240) ======================= q-point: ( 0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.180 ( 6.118 -3.324 1.599) 7.144 3.277 ( 2.090 -3.123 -0.801) 3.842 4.457 ( -3.318 7.146 14.207) 16.245 4.745 ( -13.219 0.769 7.979) 15.460 6.353 ( 3.129 -2.200 6.033) 7.143 6.461 ( 1.245 -3.961 2.956) 5.097 7.554 ( 6.886 -4.649 2.916) 8.806 7.740 ( 5.644 -9.508 -1.100) 11.111 8.837 ( 0.505 -1.843 -3.295) 3.809 8.877 ( -0.569 -2.028 -5.546) 5.933 10.743 ( 6.545 3.469 1.774) 7.617 10.887 ( 0.628 1.395 -0.675) 1.673 12.103 ( 8.308 2.638 0.164) 8.718 12.202 ( 4.711 1.397 -3.761) 6.188 12.535 ( -1.197 -2.572 -8.728) 9.178 12.630 ( -6.194 0.469 -7.905) 10.054 15.383 ( 1.167 1.130 7.982) 8.146 15.606 ( -8.485 1.062 -0.040) 8.551 30.990 ( 5.874 1.297 1.642) 6.236 31.063 ( 2.597 0.145 -0.432) 2.636 34.182 ( 0.145 -0.486 1.189) 1.293 34.232 ( -2.236 -1.187 -0.295) 2.549 77.660 ( -6.090 2.893 3.264) 7.491 77.703 ( -7.132 1.119 2.297) 7.576 ======================= Grid point 562 (184/240) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.237 ( 0.000 -2.340 3.126) 3.905 3.311 ( 0.000 -4.358 1.222) 4.527 4.437 ( 0.000 5.536 11.965) 13.183 4.580 ( -0.000 0.369 8.863) 8.871 6.387 ( 0.000 -1.724 5.492) 5.756 6.461 ( 0.000 -3.270 3.575) 4.845 7.632 ( 0.000 -5.944 2.675) 6.518 7.800 ( 0.000 -9.829 -1.094) 9.890 8.843 ( 0.000 -1.846 -3.732) 4.163 8.871 ( 0.000 -2.392 -5.145) 5.674 10.832 ( -0.000 3.716 1.339) 3.950 10.873 ( 0.000 1.150 0.959) 1.497 12.196 ( 0.000 4.462 1.755) 4.795 12.261 ( 0.000 1.150 -4.460) 4.606 12.537 ( 0.000 -1.816 -11.268) 11.413 12.538 ( 0.000 -1.272 -7.539) 7.645 15.421 ( -0.000 3.223 4.990) 5.940 15.492 ( 0.000 0.126 3.373) 3.375 31.063 ( 0.000 1.127 0.792) 1.378 31.079 ( 0.000 0.450 0.468) 0.650 34.194 ( -0.000 -0.811 0.635) 1.030 34.198 ( 0.000 -0.967 0.556) 1.115 77.597 ( 0.000 2.207 3.145) 3.842 77.629 ( 0.000 0.835 2.490) 2.626 ======================= Grid point 570 (185/240) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.680 ( 0.000 0.000 4.118) 4.118 2.854 ( 0.000 0.000 -19.091) 19.091 2.866 ( 0.000 -0.000 -17.111) 17.111 2.968 ( 0.000 0.000 -4.377) 4.377 6.094 ( 0.000 0.000 16.702) 16.702 6.262 ( 0.000 -0.000 19.848) 19.848 7.645 ( 0.000 0.000 -4.159) 4.159 7.746 ( 0.000 0.000 6.434) 6.434 8.061 ( 0.000 0.000 2.699) 2.699 8.289 ( 0.000 0.000 -4.134) 4.134 10.302 ( 0.000 0.000 -6.100) 6.100 10.526 ( 0.000 0.000 -16.380) 16.380 10.978 ( 0.000 0.000 3.555) 3.555 11.192 ( 0.000 0.000 -2.849) 2.849 12.876 ( 0.000 0.000 10.505) 10.505 13.535 ( 0.000 0.000 -3.615) 3.615 15.722 ( 0.000 0.000 19.790) 19.790 16.993 ( 0.000 0.000 -25.668) 25.668 29.959 ( 0.000 0.000 3.722) 3.722 30.203 ( 0.000 0.000 -3.475) 3.475 34.353 ( 0.000 0.000 -0.366) 0.366 34.541 ( 0.000 0.000 -5.734) 5.734 79.373 ( 0.000 0.000 1.336) 1.336 79.593 ( 0.000 -0.000 -7.476) 7.476 ======================= Grid point 572 (186/240) ======================= q-point: ( 0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.839 ( -0.182 0.000 -17.278) 17.279 2.844 ( 2.573 -0.000 -12.838) 13.094 3.014 ( 25.585 0.000 1.033) 25.606 3.310 ( 29.811 0.000 -5.475) 30.310 6.056 ( -3.452 0.000 16.086) 16.452 6.197 ( -6.082 0.000 19.493) 20.420 7.607 ( -3.007 0.000 -4.168) 5.139 7.678 ( -5.402 0.000 6.114) 8.158 8.183 ( 10.548 0.000 3.429) 11.092 8.445 ( 13.103 0.000 -4.262) 13.779 10.288 ( -1.025 0.000 -6.079) 6.164 10.489 ( -2.730 0.000 -14.718) 14.969 11.029 ( 4.656 0.000 2.775) 5.420 11.259 ( 6.209 0.000 -3.460) 7.108 12.858 ( -1.845 0.000 9.371) 9.551 13.486 ( -4.605 0.000 -3.667) 5.886 15.691 ( -2.922 0.000 19.320) 19.540 16.908 ( -8.059 0.000 -24.285) 25.588 30.016 ( 5.410 0.000 3.705) 6.557 30.256 ( 5.031 0.000 -3.386) 6.065 34.340 ( -1.175 0.000 -0.212) 1.194 34.524 ( -1.593 0.000 -5.470) 5.697 79.269 ( -9.886 0.000 1.607) 10.015 79.468 ( -11.756 -0.000 -6.383) 13.377 ======================= Grid point 574 (187/240) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.846 ( 0.916 0.000 -15.468) 15.495 2.876 ( 1.914 -0.000 -14.245) 14.373 3.704 ( 37.025 0.000 6.150) 37.532 4.079 ( 42.224 0.000 -5.367) 42.564 5.968 ( -4.521 0.000 14.032) 14.743 6.024 ( -10.401 0.000 18.914) 21.585 7.541 ( -3.252 -0.000 -4.302) 5.393 7.555 ( -6.309 0.000 6.179) 8.831 8.434 ( 12.493 0.000 4.691) 13.345 8.734 ( 12.845 0.000 -5.154) 13.841 10.278 ( 0.539 0.000 -5.767) 5.792 10.460 ( 0.952 0.000 -12.367) 12.403 11.158 ( 7.829 0.000 2.417) 8.194 11.432 ( 10.230 0.000 -4.790) 11.296 12.800 ( -3.737 0.000 6.478) 7.479 13.354 ( -7.988 0.000 -3.939) 8.906 15.609 ( -4.723 0.000 18.080) 18.687 16.680 ( -13.464 0.000 -20.538) 24.558 30.173 ( 9.542 0.000 3.620) 10.206 30.400 ( 8.627 0.000 -3.086) 9.163 34.307 ( -1.972 0.000 0.178) 1.980 34.478 ( -2.822 0.000 -4.739) 5.516 78.988 ( -16.744 0.000 2.198) 16.888 79.137 ( -19.515 -0.000 -3.786) 19.879 ======================= Grid point 576 (188/240) ======================= q-point: ( 0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.879 ( 2.282 0.000 -12.201) 12.413 2.935 ( 3.867 -0.000 -11.975) 12.584 4.406 ( 28.131 0.000 10.856) 30.153 4.945 ( 39.343 0.000 -6.070) 39.809 5.786 ( -11.764 0.000 19.238) 22.549 5.908 ( 0.066 0.000 9.898) 9.899 7.430 ( -5.370 -0.000 6.337) 8.306 7.478 ( -2.716 0.000 -4.249) 5.043 8.654 ( 8.247 0.000 4.224) 9.266 8.913 ( 4.224 0.000 -5.962) 7.307 10.327 ( 4.437 0.000 -4.343) 6.208 10.547 ( 7.114 0.000 -10.195) 12.432 11.355 ( 11.320 0.000 2.392) 11.570 11.661 ( 11.576 0.000 -5.798) 12.947 12.710 ( -4.748 0.000 2.698) 5.461 13.171 ( -9.488 0.000 -4.683) 10.581 15.508 ( -4.802 0.000 16.379) 17.069 16.380 ( -15.125 0.000 -15.363) 21.558 30.394 ( 11.594 0.000 3.396) 12.082 30.596 ( 10.038 0.000 -2.542) 10.355 34.263 ( -2.196 0.000 0.639) 2.287 34.412 ( -3.471 0.000 -3.689) 5.065 78.611 ( -19.194 0.000 2.709) 19.384 78.703 ( -21.743 -0.000 -1.032) 21.768 ======================= Grid point 578 (189/240) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.941 ( 3.813 0.000 -7.634) 8.534 3.033 ( 5.537 -0.000 -8.686) 10.301 4.754 ( 5.167 0.000 16.210) 17.014 5.353 ( -8.971 0.000 6.042) 10.816 5.825 ( 23.675 -0.000 7.162) 24.734 6.019 ( 10.211 0.000 5.499) 11.598 7.359 ( -0.860 -0.000 5.715) 5.780 7.442 ( -0.320 0.000 -3.718) 3.732 8.767 ( 3.140 0.000 1.491) 3.476 8.931 ( -1.483 0.000 -6.367) 6.538 10.457 ( 7.803 0.000 -1.857) 8.020 10.711 ( 7.809 0.000 -7.112) 10.562 11.617 ( 13.712 0.000 1.471) 13.790 11.891 ( 10.461 0.000 -5.710) 11.918 12.616 ( -4.167 0.000 -1.362) 4.384 12.976 ( -9.273 0.000 -5.962) 11.024 15.423 ( -3.275 0.000 14.306) 14.676 16.078 ( -13.827 0.000 -9.783) 16.938 30.634 ( 11.391 0.000 2.991) 11.777 30.798 ( 9.250 0.000 -1.791) 9.421 34.221 ( -1.860 0.000 0.996) 2.110 34.340 ( -3.497 0.000 -2.495) 4.296 78.226 ( -17.588 0.000 2.938) 17.832 78.274 ( -19.333 -0.000 0.961) 19.357 ======================= Grid point 580 (190/240) ======================= q-point: ( 0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.034 ( 5.112 0.000 -2.386) 5.642 3.152 ( 5.595 -0.000 -4.521) 7.194 4.702 ( -7.315 0.000 16.742) 18.270 5.052 ( -16.384 0.000 11.484) 20.007 6.229 ( 8.187 0.000 5.599) 9.918 6.253 ( 14.070 -0.000 2.067) 14.221 7.413 ( 5.833 -0.000 3.825) 6.975 7.482 ( 4.291 0.000 -2.622) 5.029 8.804 ( 0.949 0.000 -1.507) 1.781 8.888 ( -2.140 0.000 -6.212) 6.570 10.628 ( 8.343 0.000 0.188) 8.345 10.843 ( 4.721 0.000 -3.548) 5.905 11.896 ( 12.907 0.000 0.093) 12.907 12.082 ( 8.000 0.000 -4.708) 9.282 12.545 ( -2.634 0.000 -5.126) 5.763 12.795 ( -8.241 0.000 -7.365) 11.053 15.380 ( -0.746 0.000 11.673) 11.697 15.820 ( -11.237 0.000 -4.546) 12.122 30.849 ( 9.243 0.000 2.408) 9.552 30.964 ( 6.672 0.000 -0.923) 6.735 34.190 ( -1.102 0.000 1.129) 1.578 34.272 ( -2.990 0.000 -1.316) 3.267 77.907 ( -13.090 0.000 2.933) 13.415 77.928 ( -14.038 -0.000 2.045) 14.187 ======================= Grid point 582 (191/240) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.145 ( 5.440 0.000 2.136) 5.844 3.241 ( 2.519 0.000 0.231) 2.530 4.552 ( -5.297 0.000 14.516) 15.453 4.736 ( -13.349 0.000 11.411) 17.561 6.343 ( 3.585 0.000 5.734) 6.763 6.405 ( 2.169 0.000 2.833) 3.568 7.551 ( 6.194 -0.000 1.861) 6.467 7.586 ( 4.518 0.000 -1.190) 4.672 8.820 ( 0.742 0.000 -3.395) 3.475 8.854 ( -1.171 0.000 -5.456) 5.581 10.782 ( 6.328 0.000 1.089) 6.421 10.901 ( 0.858 0.000 -0.692) 1.103 12.131 ( 9.538 0.000 -0.854) 9.576 12.217 ( 4.855 0.000 -3.410) 5.933 12.506 ( -1.075 0.000 -8.027) 8.099 12.637 ( -7.070 0.000 -8.455) 11.021 15.395 ( 2.263 0.000 8.340) 8.642 15.617 ( -8.419 0.000 0.138) 8.420 31.005 ( 5.716 0.000 1.683) 5.959 31.064 ( 2.889 0.000 -0.022) 2.889 34.177 ( -0.088 0.000 0.970) 0.974 34.219 ( -2.109 0.000 -0.287) 2.128 77.699 ( -6.880 0.000 2.826) 7.438 77.707 ( -7.330 -0.000 2.510) 7.748 ======================= Grid point 584 (192/240) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.238 ( -1.558 -1.830 3.440) 4.196 3.238 ( 1.558 1.830 3.440) 4.196 4.541 ( -2.511 -3.287 11.982) 12.676 4.541 ( 2.511 3.287 11.982) 12.676 6.399 ( -0.722 -2.167 4.432) 4.986 6.399 ( 0.722 2.167 4.432) 4.986 7.628 ( -0.071 -5.155 0.263) 5.162 7.628 ( 0.071 5.155 0.263) 5.162 8.836 ( -0.290 -0.822 -4.485) 4.569 8.836 ( 0.290 0.822 -4.485) 4.569 10.879 ( -2.602 -0.376 0.853) 2.764 10.879 ( 2.602 0.376 0.853) 2.764 12.258 ( -0.999 -1.251 -1.576) 2.247 12.258 ( 0.999 1.251 -1.576) 2.247 12.521 ( -3.299 -0.028 -9.424) 9.985 12.521 ( 3.299 0.028 -9.424) 9.985 15.475 ( -4.535 -0.981 4.425) 6.412 15.475 ( 4.535 0.981 4.425) 6.412 31.079 ( -1.259 -0.212 0.859) 1.539 31.079 ( 1.259 0.212 0.859) 1.539 34.187 ( -1.009 -0.020 0.494) 1.124 34.187 ( 1.009 0.020 0.494) 1.124 77.629 ( -0.013 -0.822 2.700) 2.823 77.629 ( 0.013 0.822 2.700) 2.823 ======================= Grid point 660 (193/240) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.378 ( 0.000 0.000 21.272) 21.272 2.765 ( 0.000 0.000 -16.448) 16.448 3.079 ( 0.000 0.000 25.605) 25.605 3.517 ( 0.000 0.000 -16.455) 16.455 4.627 ( 0.000 0.000 35.477) 35.477 5.267 ( 0.000 0.000 -26.228) 26.228 8.126 ( 0.000 0.000 7.477) 7.477 8.154 ( 0.000 0.000 5.872) 5.872 8.265 ( 0.000 0.000 -6.302) 6.302 8.270 ( 0.000 0.000 -5.307) 5.307 10.535 ( 0.000 0.000 3.356) 3.356 10.586 ( 0.000 0.000 -1.803) 1.803 11.091 ( 0.000 0.000 2.407) 2.407 11.147 ( 0.000 0.000 -2.949) 2.949 13.042 ( 0.000 0.000 3.005) 3.005 13.125 ( 0.000 0.000 -5.050) 5.050 17.000 ( 0.000 0.000 -0.137) 0.137 17.028 ( 0.000 0.000 -2.785) 2.785 29.974 ( 0.000 0.000 6.788) 6.788 30.116 ( 0.000 0.000 -6.899) 6.899 34.371 ( 0.000 0.000 10.036) 10.036 34.583 ( 0.000 0.000 -10.473) 10.473 78.056 ( 0.000 0.000 10.560) 10.560 78.282 ( 0.000 0.000 -11.304) 11.304 ======================= Grid point 661 (194/240) ======================= q-point: ( 0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.656 ( 23.532 0.000 20.994) 31.535 2.997 ( 15.356 0.000 -2.509) 15.560 3.179 ( 14.008 0.000 9.422) 16.882 3.536 ( 1.919 0.000 -15.129) 15.250 4.695 ( 7.660 0.000 33.094) 33.969 5.292 ( 3.196 0.000 -24.450) 24.658 7.925 ( -12.108 0.000 2.390) 12.342 7.931 ( -10.818 0.000 1.890) 10.982 8.494 ( 13.380 0.000 -0.698) 13.398 8.503 ( 12.842 0.000 -1.823) 12.971 10.431 ( -7.401 0.000 3.906) 8.369 10.493 ( -6.959 0.000 -2.251) 7.314 11.223 ( 10.106 0.000 1.422) 10.205 11.261 ( 9.091 0.000 -2.334) 9.386 13.028 ( -1.381 0.000 3.539) 3.799 13.124 ( -0.310 0.000 -5.780) 5.788 16.909 ( -8.630 0.000 0.450) 8.642 16.943 ( -8.063 0.000 -2.930) 8.579 30.030 ( 5.259 0.000 7.022) 8.773 30.180 ( 5.959 0.000 -7.538) 9.609 34.361 ( -0.905 0.000 9.619) 9.661 34.563 ( -1.890 0.000 -9.837) 10.017 78.009 ( -4.292 0.000 9.346) 10.284 78.201 ( -7.420 0.000 -8.940) 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: 0.00e+00 0.00e+00 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| 3.147 ( 19.627 0.000 23.057) 30.279 3.198 ( 8.129 0.000 18.673) 20.365 3.607 ( 5.525 0.000 -12.181) 13.376 3.672 ( 25.261 0.000 -19.341) 31.815 5.008 ( 24.039 0.000 25.491) 35.038 5.458 ( 14.850 0.000 -18.057) 23.380 7.712 ( -8.355 0.000 2.556) 8.737 7.736 ( -7.972 0.000 0.334) 7.979 8.734 ( 9.352 0.000 -0.317) 9.358 8.750 ( 10.928 0.000 -1.353) 11.011 10.308 ( -3.817 0.000 3.748) 5.350 10.369 ( -4.257 0.000 -2.249) 4.815 11.433 ( 9.711 0.000 0.786) 9.743 11.459 ( 9.487 0.000 -1.918) 9.679 12.983 ( -3.059 0.000 4.563) 5.493 13.101 ( -2.212 0.000 -6.997) 7.338 16.663 ( -14.744 0.000 1.449) 14.815 16.708 ( -14.361 0.000 -3.124) 14.697 30.179 ( 8.921 0.000 7.361) 11.566 30.343 ( 9.330 0.000 -8.536) 12.646 34.337 ( -1.321 0.000 8.542) 8.644 34.512 ( -2.828 0.000 -8.334) 8.801 77.894 ( -6.452 0.000 6.621) 9.245 78.011 ( -10.142 0.000 -4.275) 11.007 ======================= Grid point 663 (196/240) ======================= q-point: ( 0.21 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.369 ( 8.153 0.000 14.624) 16.743 3.389 ( 5.387 0.000 20.536) 21.231 3.773 ( 9.699 0.000 -5.099) 10.958 4.046 ( 10.819 0.000 -23.764) 26.111 5.656 ( 36.282 0.000 16.741) 39.959 5.930 ( 29.216 0.000 -9.903) 30.849 7.588 ( -3.436 0.000 2.164) 4.060 7.614 ( -3.350 0.000 -0.244) 3.359 8.884 ( 5.322 0.000 0.815) 5.384 8.929 ( 6.395 0.000 -2.902) 7.022 10.283 ( 1.284 0.000 3.281) 3.524 10.334 ( 0.974 0.000 -1.799) 2.046 11.615 ( 7.952 0.000 0.925) 8.006 11.639 ( 7.945 0.000 -1.861) 8.160 12.900 ( -4.980 0.000 4.937) 7.012 13.025 ( -5.270 0.000 -7.330) 9.028 16.325 ( -17.543 0.000 1.784) 17.634 16.372 ( -17.814 0.000 -2.954) 18.058 30.381 ( 10.346 0.000 7.164) 12.584 30.544 ( 9.795 0.000 -8.620) 13.048 34.311 ( -1.144 0.000 7.135) 7.226 34.453 ( -2.794 0.000 -6.584) 7.152 77.761 ( -6.231 0.000 4.004) 7.406 77.812 ( -8.732 0.000 -0.650) 8.756 ======================= Grid point 664 (197/240) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.449 ( 1.547 0.000 14.848) 14.928 3.513 ( 5.291 0.000 7.224) 8.954 3.969 ( 9.058 0.000 0.086) 9.059 4.181 ( 4.031 0.000 -18.825) 19.251 6.361 ( 28.840 0.000 9.737) 30.440 6.511 ( 23.296 0.000 -5.040) 23.835 7.599 ( 5.710 0.000 2.647) 6.294 7.636 ( 6.719 0.000 -0.672) 6.753 8.960 ( 2.233 0.000 0.808) 2.375 9.017 ( 2.397 0.000 -4.088) 4.739 10.354 ( 5.537 0.000 3.507) 6.554 10.405 ( 5.735 0.000 -1.416) 5.907 11.762 ( 6.315 0.000 1.178) 6.424 11.784 ( 6.068 0.000 -1.568) 6.267 12.781 ( -6.404 0.000 4.049) 7.577 12.890 ( -7.571 0.000 -6.792) 10.171 15.961 ( -17.414 0.000 1.338) 17.465 15.997 ( -18.131 0.000 -2.322) 18.279 30.591 ( 9.759 0.000 6.123) 11.521 30.732 ( 8.255 0.000 -7.536) 11.177 34.292 ( -0.601 0.000 5.610) 5.642 34.401 ( -2.288 0.000 -4.821) 5.336 77.647 ( -4.709 0.000 2.339) 5.258 77.661 ( -5.897 0.000 1.162) 6.010 ======================= Grid point 665 (198/240) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.474 ( 1.118 0.000 8.977) 9.047 3.577 ( 1.051 0.000 -0.189) 1.068 4.139 ( 7.291 0.000 2.015) 7.565 4.253 ( 3.280 0.000 -9.663) 10.204 6.754 ( 9.884 0.000 3.541) 10.499 6.808 ( 6.726 0.000 -1.969) 7.008 7.843 ( 16.304 0.000 4.018) 16.792 7.892 ( 15.869 0.000 -0.683) 15.884 8.985 ( 0.430 0.000 -0.112) 0.444 9.038 ( -0.137 0.000 -4.667) 4.669 10.504 ( 8.727 0.000 4.370) 9.760 10.559 ( 8.783 0.000 -0.830) 8.822 11.870 ( 4.101 0.000 1.297) 4.301 11.885 ( 3.677 0.000 -0.861) 3.777 12.649 ( -6.056 0.000 2.110) 6.413 12.730 ( -7.537 0.000 -6.131) 9.715 15.627 ( -14.610 0.000 0.618) 14.624 15.648 ( -15.314 0.000 -1.517) 15.389 30.773 ( 7.712 0.000 4.314) 8.836 30.875 ( 5.542 0.000 -5.613) 7.888 34.286 ( 0.014 0.000 4.021) 4.021 34.360 ( -1.719 0.000 -3.037) 3.490 77.568 ( -3.293 0.000 1.768) 3.737 77.568 ( -2.948 0.000 1.608) 3.358 ======================= Grid point 666 (199/240) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.499 ( 1.456 0.000 3.257) 3.567 3.569 ( -1.387 0.000 -3.010) 3.315 4.262 ( 4.519 0.000 2.204) 5.028 4.310 ( 1.909 0.000 -2.770) 3.364 6.856 ( 1.942 0.000 0.904) 2.142 6.871 ( 0.891 0.000 -0.677) 1.119 8.153 ( 11.697 0.000 3.103) 12.101 8.178 ( 10.289 0.000 0.528) 10.302 8.987 ( 0.059 0.000 -1.614) 1.615 9.021 ( -1.271 0.000 -4.471) 4.648 10.688 ( 8.194 0.000 4.790) 9.491 10.732 ( 6.828 0.000 0.795) 6.874 11.929 ( 1.663 0.000 1.125) 2.008 11.935 ( 1.285 0.000 -0.059) 1.286 12.550 ( -3.179 0.000 -0.490) 3.216 12.596 ( -5.130 0.000 -5.282) 7.363 15.382 ( -8.666 0.000 0.019) 8.666 15.390 ( -9.140 0.000 -0.870) 9.182 30.902 ( 4.753 0.000 1.982) 5.150 30.956 ( 2.215 0.000 -3.214) 3.903 34.292 ( 0.521 0.000 2.350) 2.407 34.329 ( -1.263 0.000 -1.221) 1.756 77.521 ( -1.355 0.000 1.797) 2.251 77.524 ( -1.420 0.000 1.476) 2.048 ======================= Grid point 667 (200/240) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.534 ( -1.783 0.000 -1.207) 2.153 3.534 ( 1.783 0.000 -1.207) 2.153 4.320 ( -0.581 0.000 0.791) 0.981 4.320 ( 0.581 0.000 0.791) 0.981 6.875 ( -0.156 0.000 0.001) 0.156 6.875 ( 0.156 0.000 0.001) 0.156 8.282 ( -0.514 0.000 1.779) 1.852 8.282 ( 0.514 0.000 1.779) 1.852 8.996 ( -0.609 0.000 -3.330) 3.385 8.996 ( 0.609 0.000 -3.330) 3.385 10.795 ( -0.616 0.000 3.368) 3.423 10.795 ( 0.616 0.000 3.368) 3.423 11.945 ( -0.006 0.000 0.585) 0.585 11.945 ( 0.006 0.000 0.585) 0.585 12.529 ( -1.143 0.000 -3.316) 3.507 12.529 ( 1.143 0.000 -3.316) 3.507 15.291 ( -0.017 0.000 -0.419) 0.419 15.291 ( 0.017 0.000 -0.419) 0.419 30.965 ( -1.291 0.000 -0.606) 1.426 30.965 ( 1.291 0.000 -0.606) 1.426 34.307 ( -0.901 0.000 0.593) 1.078 34.307 ( 0.901 0.000 0.593) 1.078 77.508 ( -0.012 0.000 1.620) 1.620 77.508 ( 0.012 0.000 1.620) 1.620 ======================= Grid point 675 (201/240) ======================= q-point: ( 0.00 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.414 ( 0.000 3.332 19.878) 20.155 2.779 ( 0.000 1.269 -15.629) 15.681 2.914 ( 0.000 -13.108 28.553) 31.418 3.426 ( 0.000 -8.079 -20.805) 22.319 4.835 ( 0.000 17.776 32.031) 36.633 5.398 ( 0.000 11.568 -22.514) 25.312 8.054 ( 0.000 -6.023 7.265) 9.437 8.151 ( 0.000 -0.286 5.665) 5.673 8.190 ( 0.000 -6.448 -6.156) 8.915 8.264 ( 0.000 -0.583 -5.208) 5.241 10.553 ( 0.000 1.109 4.538) 4.672 10.626 ( 0.000 2.818 -3.022) 4.132 11.087 ( 0.000 -0.389 2.610) 2.639 11.146 ( 0.000 -0.093 -3.074) 3.076 13.034 ( 0.000 -0.580 2.290) 2.362 13.106 ( 0.000 -1.258 -4.610) 4.779 16.881 ( 0.000 -8.945 5.735) 10.626 17.019 ( 0.000 -2.947 -8.261) 8.771 29.980 ( 0.000 0.553 6.575) 6.598 30.117 ( 0.000 0.120 -6.665) 6.667 34.374 ( 0.000 0.240 9.004) 9.007 34.569 ( 0.000 -1.355 -9.717) 9.811 78.167 ( 0.000 10.803 13.483) 17.277 78.465 ( 0.000 15.783 -15.619) 22.205 ======================= Grid point 676 (202/240) ======================= q-point: ( 0.07 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.672 ( 19.773 0.699 21.007) 28.857 2.946 ( 10.585 -5.839 15.697) 19.812 3.104 ( 22.856 -3.133 -7.005) 24.110 3.453 ( 3.441 -7.211 -18.933) 20.550 4.885 ( 5.725 16.343 30.110) 34.735 5.412 ( 2.064 10.650 -20.956) 23.597 7.888 ( -9.875 -2.533 3.976) 10.942 7.931 ( -10.577 -1.035 -0.308) 10.632 8.429 ( 12.876 -4.592 0.899) 13.700 8.473 ( 12.919 -3.135 -3.214) 13.677 10.450 ( -7.410 1.245 4.602) 8.811 10.525 ( -7.355 2.380 -2.979) 8.284 11.216 ( 9.871 -0.673 1.748) 10.047 11.260 ( 9.096 -0.117 -2.506) 9.435 13.020 ( -1.438 -0.584 2.736) 3.145 13.102 ( -0.568 -1.612 -5.172) 5.447 16.800 ( -7.724 -8.429 5.558) 12.712 16.931 ( -8.359 -2.869 -7.721) 11.735 30.035 ( 5.251 0.543 6.774) 8.588 30.180 ( 5.840 -0.008 -7.195) 9.267 34.364 ( -0.940 0.212 8.660) 8.714 34.549 ( -1.791 -1.255 -9.163) 9.421 78.116 ( -4.802 10.343 12.209) 16.706 78.376 ( -8.124 15.160 -13.113) 21.628 ======================= Grid point 677 (203/240) ======================= q-point: ( 0.14 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.943 ( 8.197 -12.139 24.870) 28.863 3.309 ( 16.150 2.332 5.651) 17.268 3.499 ( 13.396 -4.458 -6.152) 15.401 3.761 ( 26.493 4.945 -15.939) 31.311 5.129 ( 19.546 10.748 23.668) 32.523 5.535 ( 11.648 6.866 -15.593) 20.639 7.707 ( -7.447 -0.157 2.956) 8.014 7.743 ( -7.641 0.211 -0.523) 7.662 8.674 ( 10.339 -4.295 1.140) 11.253 8.720 ( 10.520 -3.258 -2.995) 11.413 10.324 ( -3.979 1.121 4.377) 6.021 10.397 ( -4.249 2.190 -2.844) 5.562 11.422 ( 9.495 -1.145 1.417) 9.668 11.461 ( 9.701 -0.016 -2.433) 10.001 12.973 ( -3.170 -0.726 3.642) 4.882 13.073 ( -2.472 -2.274 -6.119) 6.981 16.577 ( -13.484 -7.015 5.040) 16.014 16.691 ( -14.456 -2.563 -6.519) 16.063 30.185 ( 8.948 0.557 7.055) 11.408 30.340 ( 9.279 -0.187 -8.028) 12.271 34.339 ( -1.403 0.113 7.765) 7.891 34.501 ( -2.727 -1.057 -7.832) 8.360 77.986 ( -7.395 9.020 9.281) 14.906 78.165 ( -11.505 13.256 -7.963) 19.274 ======================= Grid point 678 (204/240) ======================= q-point: ( 0.21 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.105 ( 7.815 -13.373 21.283) 26.323 3.464 ( 3.729 -5.920 -9.190) 11.551 3.817 ( 13.307 9.063 12.697) 20.504 4.188 ( 12.949 10.511 -19.481) 25.645 5.691 ( 32.875 3.034 15.498) 36.471 5.938 ( 26.460 0.595 -8.452) 27.783 7.589 ( -3.643 0.371 2.530) 4.451 7.625 ( -3.429 0.555 -0.746) 3.552 8.841 ( 5.894 -3.365 1.115) 6.878 8.894 ( 6.329 -3.246 -3.508) 7.931 10.298 ( 1.275 1.116 4.125) 4.459 10.365 ( 1.231 2.545 -2.602) 3.842 11.602 ( 8.123 -1.099 1.619) 8.356 11.645 ( 8.151 0.356 -2.638) 8.575 12.889 ( -4.992 -0.898 3.972) 6.442 12.993 ( -5.300 -2.677 -6.339) 8.686 16.266 ( -16.276 -5.055 4.173) 17.546 16.358 ( -17.435 -1.808 -5.164) 18.273 30.388 ( 10.429 0.663 6.848) 12.494 30.542 ( 9.899 -0.136 -8.072) 12.774 34.310 ( -1.272 -0.077 6.567) 6.690 34.443 ( -2.756 -0.925 -6.240) 6.884 77.830 ( -7.407 7.073 6.317) 12.033 77.934 ( -10.449 10.329 -3.613) 15.130 ======================= Grid point 679 (205/240) ======================= q-point: ( 0.29 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.260 ( 7.009 -11.149 15.682) 20.478 3.519 ( 1.713 -5.557 -6.907) 9.029 4.032 ( 8.342 8.569 10.756) 16.084 4.334 ( 3.022 11.668 -16.627) 20.536 6.343 ( 26.996 -1.734 9.248) 28.589 6.483 ( 22.390 -2.710 -4.399) 22.979 7.597 ( 5.782 -0.274 2.755) 6.410 7.635 ( 5.629 -0.255 -0.726) 5.681 8.924 ( 2.424 -2.950 0.890) 3.921 8.983 ( 2.581 -3.115 -4.311) 5.912 10.369 ( 5.403 1.290 4.431) 7.105 10.440 ( 5.697 2.895 -2.468) 6.850 11.756 ( 6.685 -0.543 1.627) 6.902 11.794 ( 6.274 0.793 -2.247) 6.711 12.772 ( -6.228 -0.813 3.097) 7.003 12.861 ( -7.324 -2.551 -5.868) 9.726 15.927 ( -16.250 -2.887 3.116) 16.796 15.995 ( -17.338 -0.489 -3.828) 17.762 30.600 ( 9.873 0.856 5.862) 11.514 30.734 ( 8.462 0.166 -7.062) 11.023 34.289 ( -0.749 -0.335 5.226) 5.290 34.391 ( -2.304 -0.910 -4.595) 5.221 77.692 ( -5.848 4.923 4.223) 8.733 77.748 ( -7.566 7.079 -1.080) 10.417 ======================= Grid point 680 (206/240) ======================= q-point: ( 0.36 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.384 ( 5.004 -6.870 8.955) 12.346 3.538 ( 0.168 -4.640 -4.687) 6.597 4.178 ( 6.038 5.080 7.118) 10.627 4.363 ( 0.470 8.730 -10.241) 13.465 6.710 ( 9.023 -3.955 3.866) 10.583 6.766 ( 6.051 -3.825 -1.727) 7.364 7.840 ( 15.971 -0.720 3.202) 16.304 7.873 ( 15.689 -1.951 -0.003) 15.810 8.952 ( 0.588 -2.769 0.182) 2.837 9.010 ( 0.201 -2.741 -4.909) 5.626 10.510 ( 8.011 0.802 5.173) 9.570 10.585 ( 7.995 2.283 -2.004) 8.552 11.872 ( 4.501 0.379 1.668) 4.815 11.902 ( 4.289 1.375 -1.504) 4.748 12.644 ( -5.903 -0.510 1.245) 6.054 12.707 ( -7.187 -2.042 -5.423) 9.233 15.615 ( -13.668 -0.769 2.263) 13.875 15.664 ( -14.357 1.145 -2.733) 14.660 30.784 ( 7.803 1.057 4.157) 8.905 30.881 ( 5.761 0.576 -5.264) 7.825 34.280 ( -0.123 -0.605 3.779) 3.829 34.349 ( -1.750 -0.962 -2.904) 3.525 77.592 ( -3.779 3.015 3.035) 5.708 77.623 ( -4.626 4.255 0.142) 6.287 ======================= Grid point 681 (207/240) ======================= q-point: ( 0.43 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.464 ( 2.834 -3.166 2.784) 5.080 3.530 ( -0.774 -3.633 -3.167) 4.881 4.279 ( 3.709 2.283 4.335) 6.145 4.365 ( -0.189 4.694 -3.969) 6.150 6.798 ( 1.432 -4.961 1.348) 5.337 6.817 ( 0.429 -4.785 -0.494) 4.830 8.142 ( 11.436 -1.601 2.991) 11.929 8.165 ( 10.702 -1.877 0.819) 10.896 8.959 ( 0.322 -2.385 -1.241) 2.708 8.999 ( -1.030 -2.264 -4.861) 5.460 10.674 ( 7.069 -0.683 5.472) 8.965 10.738 ( 5.917 0.646 -0.500) 5.973 11.937 ( 1.882 1.581 2.321) 3.380 11.973 ( 2.532 2.546 -1.483) 3.885 12.544 ( -3.407 -0.578 -1.054) 3.612 12.580 ( -4.886 -1.539 -5.003) 7.160 15.385 ( -8.104 0.960 1.763) 8.349 15.425 ( -8.455 2.506 -2.027) 9.049 30.914 ( 4.770 1.166 1.958) 5.287 30.966 ( 2.382 0.945 -3.007) 3.951 34.283 ( 0.423 -0.829 2.221) 2.408 34.318 ( -1.267 -1.000 -1.172) 1.995 77.536 ( -1.768 1.692 2.423) 3.444 77.554 ( -2.173 2.402 0.714) 3.317 ======================= Grid point 682 (208/240) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.505 ( 0.000 -2.437 -0.943) 2.613 3.510 ( -0.000 -2.493 -1.385) 2.852 4.323 ( 0.000 1.279 2.653) 2.945 4.358 ( 0.000 2.861 -0.743) 2.956 6.809 ( 0.000 -5.315 0.653) 5.355 6.818 ( 0.000 -5.235 -0.069) 5.235 8.269 ( 0.000 -1.848 2.083) 2.784 8.273 ( 0.000 -1.677 1.984) 2.598 8.969 ( 0.000 -1.919 -2.730) 3.337 8.980 ( -0.000 -2.198 -4.127) 4.675 10.757 ( -0.000 -1.819 5.031) 5.350 10.801 ( 0.000 -0.177 0.942) 0.958 11.955 ( 0.000 2.282 2.866) 3.663 12.001 ( 0.000 3.440 -1.836) 3.899 12.514 ( -0.000 -1.128 -3.048) 3.250 12.520 ( 0.000 -1.122 -3.932) 4.089 15.299 ( 0.000 1.680 1.564) 2.296 15.335 ( 0.000 3.027 -1.748) 3.495 30.974 ( -0.000 1.013 -0.221) 1.037 30.980 ( 0.000 1.276 -0.812) 1.512 34.296 ( -0.000 -0.991 0.615) 1.167 34.297 ( 0.000 -0.937 0.499) 1.062 77.518 ( 0.000 1.213 2.202) 2.513 77.532 ( 0.000 1.768 0.919) 1.993 ======================= Grid point 690 (209/240) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.508 ( 0.000 5.379 16.238) 17.106 2.638 ( 0.000 -11.521 29.590) 31.754 2.814 ( 0.000 1.879 -13.373) 13.505 3.221 ( 0.000 -10.689 -26.347) 28.433 5.281 ( 0.000 23.377 25.874) 34.871 5.704 ( 0.000 16.879 -15.321) 22.795 7.911 ( 0.000 -7.021 6.553) 9.604 8.039 ( 0.000 -7.052 -5.879) 9.181 8.143 ( 0.000 -0.441 5.111) 5.130 8.248 ( 0.000 -0.945 -4.937) 5.027 10.543 ( 0.000 -2.826 5.665) 6.331 10.653 ( 0.000 -1.252 -5.226) 5.374 11.076 ( 0.000 -0.566 3.046) 3.099 11.142 ( 0.000 -0.241 -3.306) 3.315 13.022 ( 0.000 -0.238 3.387) 3.396 13.116 ( 0.000 2.956 -5.336) 6.100 16.652 ( 0.000 -12.435 11.622) 17.020 16.904 ( 0.000 -7.664 -13.712) 15.709 29.996 ( 0.000 0.922 5.988) 6.059 30.120 ( 0.000 0.168 -6.027) 6.029 34.378 ( 0.000 0.070 6.655) 6.656 34.531 ( 0.000 -2.127 -7.969) 8.248 78.485 ( 0.000 18.491 16.241) 24.611 78.857 ( 0.000 19.723 -20.169) 28.210 ======================= Grid point 691 (210/240) ======================= q-point: ( 0.07 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.604 ( 3.962 -7.190 25.772) 27.048 2.882 ( 25.924 1.996 17.092) 31.115 3.071 ( 17.467 -2.046 -16.688) 24.244 3.288 ( 11.933 -6.981 -20.968) 25.115 5.298 ( 2.170 21.714 24.482) 32.796 5.695 ( -0.437 15.616 -14.149) 21.077 7.820 ( -6.296 -4.101 4.586) 8.803 7.891 ( -8.106 -2.453 -2.317) 8.780 8.338 ( 12.375 -3.678 2.145) 13.087 8.402 ( 11.537 -2.989 -3.938) 12.552 10.451 ( -6.884 -1.814 5.336) 8.897 10.554 ( -7.204 -0.456 -4.813) 8.676 11.191 ( 8.885 -1.799 2.674) 9.452 11.251 ( 8.772 -0.865 -3.139) 9.357 13.008 ( -1.428 -0.374 3.180) 3.506 13.098 ( -1.766 2.185 -5.181) 5.893 16.583 ( -6.573 -11.810 11.065) 17.468 16.821 ( -7.829 -7.250 -12.895) 16.737 30.051 ( 5.246 0.920 6.108) 8.104 30.180 ( 5.588 0.018 -6.329) 8.443 34.367 ( -0.999 0.049 6.462) 6.539 34.514 ( -1.568 -1.996 -7.584) 7.997 78.421 ( -6.025 17.780 14.901) 23.968 78.754 ( -9.496 19.143 -17.636) 27.707 ======================= Grid point 692 (211/240) ======================= q-point: ( 0.14 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.702 ( 5.982 -9.946 24.580) 27.182 3.196 ( 3.524 -9.623 -21.958) 24.232 3.552 ( 31.741 6.536 15.001) 35.711 3.859 ( 33.496 4.205 -13.866) 36.496 5.412 ( 10.375 15.389 19.719) 27.080 5.723 ( 4.552 10.744 -10.378) 15.615 7.697 ( -5.495 -1.586 2.895) 6.410 7.738 ( -6.725 -0.447 -1.187) 6.843 8.590 ( 11.275 -3.367 1.376) 11.847 8.639 ( 10.554 -3.447 -3.435) 11.622 10.331 ( -3.741 -0.843 5.142) 6.414 10.431 ( -3.761 0.496 -4.615) 5.974 11.383 ( 9.312 -2.583 2.762) 10.050 11.449 ( 9.864 -1.267 -3.553) 10.561 12.959 ( -3.384 -0.658 2.843) 4.468 13.042 ( -3.819 0.321 -4.842) 6.175 16.394 ( -11.403 -10.034 9.631) 17.985 16.598 ( -13.357 -6.051 -10.888) 18.264 30.201 ( 9.029 0.968 6.252) 11.025 30.336 ( 9.172 -0.194 -6.790) 11.414 34.340 ( -1.567 -0.047 5.939) 6.143 34.471 ( -2.493 -1.731 -6.617) 7.280 78.254 ( -9.712 15.690 11.690) 21.844 78.499 ( -14.389 17.149 -12.042) 25.419 ======================= Grid point 693 (212/240) ======================= q-point: ( 0.21 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.852 ( 8.470 -10.188 20.021) 24.008 3.266 ( 3.523 -10.782 -19.106) 22.220 4.074 ( 17.347 13.626 17.562) 28.196 4.424 ( 18.434 11.432 -16.009) 26.959 5.769 ( 23.869 4.233 12.645) 27.341 5.952 ( 18.533 0.882 -4.920) 19.195 7.598 ( -3.815 -0.227 1.803) 4.226 7.624 ( -3.767 -0.591 -0.206) 3.819 8.775 ( 6.470 -2.461 0.371) 6.932 8.813 ( 6.199 -3.726 -3.122) 7.877 10.314 ( 2.005 0.203 5.249) 5.623 10.416 ( 2.150 1.710 -4.569) 5.331 11.568 ( 8.702 -2.200 2.998) 9.464 11.644 ( 8.864 -0.728 -4.160) 9.818 12.869 ( -5.240 -1.074 2.354) 5.844 12.941 ( -5.937 -1.392 -4.385) 7.511 16.132 ( -13.598 -7.355 7.809) 17.320 16.294 ( -15.685 -4.118 -8.461) 18.291 30.408 ( 10.644 1.148 6.016) 12.280 30.539 ( 10.149 -0.112 -6.711) 12.167 34.307 ( -1.553 -0.270 5.188) 5.423 34.417 ( -2.664 -1.549 -5.376) 6.197 78.042 ( -10.404 12.493 8.172) 18.197 78.197 ( -14.313 13.714 -6.670) 20.915 ======================= Grid point 694 (213/240) ======================= q-point: ( 0.29 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.040 ( 9.545 -9.262 14.126) 19.401 3.338 ( 3.376 -9.978 -13.933) 17.466 4.291 ( 5.410 14.906 16.232) 22.693 4.613 ( 1.970 14.582 -14.555) 20.696 6.287 ( 22.821 -3.587 7.859) 24.401 6.395 ( 20.224 -5.631 -2.423) 21.133 7.579 ( 3.542 -1.835 2.683) 4.807 7.619 ( 4.279 -1.424 -0.721) 4.567 8.861 ( 2.245 -2.619 0.015) 3.450 8.901 ( 2.599 -4.236 -3.537) 6.100 10.401 ( 5.984 1.587 5.582) 8.336 10.506 ( 6.102 2.989 -4.450) 8.122 11.739 ( 7.819 -1.041 2.699) 8.337 11.809 ( 7.137 0.454 -3.868) 8.130 12.750 ( -6.140 -1.432 1.216) 6.421 12.803 ( -7.184 -2.121 -3.911) 8.450 15.852 ( -13.289 -4.081 6.055) 15.163 15.973 ( -15.111 -1.594 -6.110) 16.378 30.625 ( 10.156 1.443 5.167) 11.486 30.739 ( 8.964 0.323 -5.849) 10.709 34.279 ( -1.103 -0.617 4.256) 4.439 34.365 ( -2.346 -1.529 -4.008) 4.890 77.841 ( -8.887 8.814 5.406) 13.634 77.929 ( -11.427 9.598 -2.997) 15.221 ======================= Grid point 695 (214/240) ======================= q-point: ( 0.36 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.231 ( 8.663 -7.174 7.603) 13.577 3.397 ( 2.226 -7.887 -7.917) 11.395 4.352 ( 1.323 10.906 11.926) 16.215 4.582 ( -3.754 11.849 -10.046) 15.982 6.603 ( 7.821 -5.951 4.453) 10.790 6.661 ( 5.622 -5.982 -1.104) 8.283 7.774 ( 14.009 -5.928 3.456) 15.599 7.817 ( 13.640 -3.560 -0.668) 14.112 8.887 ( 0.667 -3.126 -0.291) 3.210 8.930 ( 0.493 -4.428 -4.157) 6.094 10.543 ( 7.392 2.269 5.897) 9.725 10.645 ( 6.916 3.191 -3.767) 8.497 11.885 ( 6.225 0.712 2.058) 6.595 11.936 ( 5.273 1.750 -2.726) 6.189 12.627 ( -5.637 -1.376 -0.650) 5.839 12.656 ( -6.828 -2.200 -3.718) 8.080 15.600 ( -10.840 -0.617 4.657) 11.814 15.688 ( -12.228 1.042 -4.107) 12.942 30.814 ( 8.027 1.740 3.728) 9.020 30.898 ( 6.306 0.932 -4.346) 7.715 34.263 ( -0.465 -1.016 3.149) 3.341 34.322 ( -1.826 -1.606 -2.549) 3.523 77.684 ( -6.228 5.445 3.657) 9.046 77.733 ( -7.614 5.858 -0.931) 9.652 ======================= Grid point 696 (215/240) ======================= q-point: ( 0.43 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.381 ( 5.453 -4.478 1.633) 7.243 3.429 ( 0.889 -5.604 -2.776) 6.317 4.368 ( 0.642 6.192 7.282) 9.580 4.494 ( -4.071 7.507 -4.794) 9.793 6.676 ( 1.006 -6.272 2.284) 6.750 6.699 ( -0.282 -5.904 0.057) 5.911 8.051 ( 10.829 -7.836 3.132) 13.728 8.079 ( 9.744 -6.391 0.428) 11.661 8.899 ( 0.657 -3.156 -1.463) 3.540 8.929 ( -0.458 -4.081 -4.114) 5.812 10.684 ( 5.714 1.826 5.593) 8.201 10.766 ( 4.289 2.108 -2.040) 5.196 11.989 ( 3.713 3.018 2.120) 5.233 12.029 ( 3.697 2.743 -2.183) 5.095 12.527 ( -3.827 -1.037 -2.435) 4.653 12.535 ( -4.582 -2.497 -4.024) 6.590 15.421 ( -6.198 2.291 3.594) 7.522 15.485 ( -7.169 3.040 -2.554) 8.195 30.948 ( 4.807 1.893 1.875) 5.496 30.992 ( 2.807 1.499 -2.450) 4.016 34.260 ( 0.168 -1.369 1.877) 2.329 34.290 ( -1.274 -1.658 -1.038) 2.335 77.588 ( -3.139 3.096 2.733) 5.187 77.616 ( -3.766 3.322 0.075) 5.022 ======================= Grid point 697 (216/240) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.436 ( 0.000 -4.291 -0.603) 4.333 3.441 ( -0.000 -3.380 -1.190) 3.583 4.380 ( 0.000 4.209 4.583) 6.222 4.444 ( -0.000 5.271 -1.505) 5.482 6.686 ( -0.000 -5.822 1.015) 5.910 6.687 ( 0.000 -6.579 1.052) 6.662 8.172 ( 0.000 -8.531 2.454) 8.877 8.177 ( -0.000 -7.196 1.523) 7.355 8.913 ( 0.000 -3.700 -3.198) 4.891 8.917 ( -0.000 -3.069 -3.012) 4.301 10.749 ( 0.000 1.395 4.954) 5.147 10.810 ( 0.000 1.321 -0.639) 1.468 12.029 ( 0.000 4.389 2.671) 5.137 12.072 ( 0.000 3.183 -2.429) 4.004 12.483 ( 0.000 -2.353 -4.011) 4.650 12.486 ( 0.000 -1.477 -3.519) 3.817 15.356 ( 0.000 3.512 3.066) 4.662 15.408 ( 0.000 3.748 -1.835) 4.173 31.004 ( -0.000 1.778 0.201) 1.790 31.015 ( 0.000 1.884 -0.763) 2.033 34.268 ( -0.000 -1.607 0.563) 1.703 34.270 ( 0.000 -1.577 0.361) 1.618 77.555 ( 0.000 2.251 2.426) 3.310 77.577 ( 0.000 2.436 0.395) 2.468 ======================= Grid point 705 (217/240) ======================= q-point: ( 0.00 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.472 ( 0.000 -4.074 23.051) 23.408 2.626 ( 0.000 5.556 11.538) 12.806 2.851 ( 0.000 1.497 -10.177) 10.287 2.997 ( 0.000 -10.540 -26.801) 28.799 5.772 ( 0.000 22.822 20.493) 30.673 6.074 ( 0.000 17.759 -8.724) 19.786 7.774 ( 0.000 -5.976 6.586) 8.893 7.912 ( 0.000 -5.212 -6.272) 8.155 8.134 ( 0.000 -0.409 4.395) 4.414 8.227 ( 0.000 -0.954 -4.567) 4.666 10.429 ( 0.000 -7.446 4.682) 8.796 10.556 ( 0.000 -7.655 -7.599) 10.786 11.065 ( 0.000 -0.510 3.435) 3.473 11.136 ( 0.000 -0.329 -3.444) 3.459 13.046 ( 0.000 2.577 8.239) 8.633 13.221 ( 0.000 6.316 -7.891) 10.108 16.388 ( 0.000 -12.062 15.505) 19.645 16.724 ( 0.000 -8.869 -17.955) 20.026 30.016 ( 0.000 0.970 5.189) 5.279 30.124 ( 0.000 0.122 -5.163) 5.165 34.376 ( 0.000 -0.216 4.263) 4.268 34.485 ( 0.000 -2.091 -6.156) 6.502 78.889 ( 0.000 18.987 14.608) 23.956 79.227 ( 0.000 14.646 -18.416) 23.530 ======================= Grid point 706 (218/240) ======================= q-point: ( 0.07 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.480 ( 1.957 -3.272 21.321) 21.659 2.944 ( 12.062 -3.060 -8.578) 15.114 2.982 ( 19.466 -0.233 -2.864) 19.677 3.212 ( 27.122 -0.914 -12.521) 29.886 5.756 ( -1.211 21.407 19.447) 28.947 6.039 ( -3.097 16.585 -7.865) 18.615 7.719 ( -4.149 -5.165 5.569) 8.655 7.831 ( -5.586 -3.446 -4.713) 8.080 8.281 ( 11.577 -1.692 3.423) 12.190 8.362 ( 11.060 -0.883 -4.400) 11.935 10.369 ( -4.731 -5.611 4.385) 8.549 10.488 ( -5.206 -5.758 -7.011) 10.460 11.148 ( 7.042 -2.037 3.422) 8.090 11.223 ( 7.455 -1.643 -3.760) 8.509 13.024 ( -2.185 2.009 7.626) 8.183 13.188 ( -3.154 5.665 -7.486) 9.904 16.332 ( -5.313 -11.465 14.825) 19.480 16.651 ( -6.850 -8.352 -16.994) 20.136 30.072 ( 5.270 0.985 5.226) 7.487 30.180 ( 5.370 0.021 -5.261) 7.517 34.365 ( -1.027 -0.216 4.193) 4.322 34.471 ( -1.348 -1.991 -5.911) 6.381 78.810 ( -7.521 18.258 13.500) 23.920 79.116 ( -10.379 14.445 -16.409) 24.200 ======================= Grid point 707 (219/240) ======================= q-point: ( 0.14 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.555 ( 5.294 -3.770 18.626) 19.727 2.991 ( 2.030 -9.607 -22.568) 24.612 3.691 ( 37.069 6.139 12.116) 39.479 3.929 ( 38.429 2.369 -10.807) 39.990 5.748 ( 1.446 16.264 15.973) 22.842 5.970 ( -2.750 12.409 -5.251) 13.752 7.630 ( -4.321 -4.392 4.190) 7.451 7.714 ( -5.755 -2.408 -3.388) 7.099 8.537 ( 11.967 -1.533 2.659) 12.354 8.604 ( 11.038 0.026 -4.106) 11.777 10.288 ( -2.131 -3.059 4.338) 5.720 10.403 ( -2.024 -3.201 -6.646) 7.650 11.318 ( 9.066 -3.331 3.781) 10.372 11.406 ( 9.768 -2.688 -4.535) 11.100 12.955 ( -4.442 0.620 6.133) 7.598 13.094 ( -5.863 4.031 -6.511) 9.645 16.181 ( -9.049 -9.744 13.073) 18.647 16.457 ( -11.526 -6.893 -14.504) 19.767 30.223 ( 9.155 1.068 5.222) 10.594 30.333 ( 9.086 -0.119 -5.355) 10.548 34.336 ( -1.688 -0.253 3.984) 4.335 34.433 ( -2.255 -1.783 -5.258) 5.993 78.597 ( -12.585 16.119 10.771) 23.113 78.829 ( -16.662 13.458 -11.730) 24.420 ======================= Grid point 708 (220/240) ======================= q-point: ( 0.21 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.696 ( 8.290 -4.527 14.712) 17.483 3.049 ( 3.670 -9.643 -18.752) 21.403 4.348 ( 23.717 11.876 15.270) 30.606 4.639 ( 26.702 8.509 -12.864) 30.836 5.870 ( 11.631 5.551 9.900) 16.251 5.986 ( 6.355 2.592 -0.818) 6.912 7.549 ( -3.310 -4.034 2.624) 5.841 7.602 ( -4.644 -2.196 -1.726) 5.419 8.735 ( 6.840 -1.342 1.087) 7.054 8.776 ( 5.260 0.263 -3.238) 6.182 10.305 ( 3.888 -0.856 4.832) 6.261 10.425 ( 4.153 -0.796 -6.566) 7.810 11.512 ( 9.709 -2.969 4.075) 10.940 11.611 ( 9.983 -2.234 -5.318) 11.530 12.844 ( -6.215 -0.915 4.344) 7.638 12.954 ( -7.561 2.145 -5.514) 9.601 15.976 ( -10.429 -7.096 10.859) 16.645 16.198 ( -13.154 -4.685 -11.290) 17.956 30.434 ( 10.905 1.262 4.945) 12.041 30.538 ( 10.419 -0.035 -5.103) 11.602 34.299 ( -1.818 -0.398 3.626) 4.076 34.382 ( -2.569 -1.635 -4.343) 5.304 78.316 ( -14.182 12.852 7.646) 20.610 78.466 ( -17.829 11.260 -6.846) 22.170 ======================= Grid point 709 (221/240) ======================= q-point: ( 0.29 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.889 ( 10.192 -5.010 10.138) 15.224 3.138 ( 4.784 -8.822 -13.499) 16.820 4.621 ( 4.281 16.023 16.582) 23.452 4.925 ( 2.129 14.616 -12.494) 19.346 6.202 ( 17.681 -4.288 5.723) 19.073 6.256 ( 16.931 -7.333 0.937) 18.474 7.511 ( 0.548 -4.423 2.861) 5.296 7.567 ( 2.360 -3.722 -1.773) 4.751 8.820 ( 1.789 -1.736 -0.648) 2.576 8.834 ( 1.165 -1.328 -2.344) 2.935 10.431 ( 7.696 1.288 5.450) 9.518 10.553 ( 7.575 1.466 -6.113) 9.843 11.712 ( 9.552 -1.453 3.609) 10.314 11.807 ( 8.827 -0.687 -5.260) 10.299 12.709 ( -6.682 -1.993 2.459) 7.394 12.792 ( -7.926 0.665 -4.885) 9.334 15.766 ( -9.664 -3.829 8.657) 13.527 15.934 ( -12.230 -2.002 -8.014) 14.759 30.657 ( 10.477 1.541 4.248) 11.410 30.746 ( 9.521 0.346 -4.354) 10.474 34.265 ( -1.482 -0.678 3.087) 3.491 34.331 ( -2.393 -1.619 -3.261) 4.357 78.035 ( -12.770 9.088 5.070) 16.473 78.121 ( -15.272 8.190 -3.226) 17.627 ======================= Grid point 710 (222/240) ======================= q-point: ( 0.36 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.103 ( 10.231 -4.834 5.354) 12.518 3.237 ( 4.653 -6.946 -7.428) 11.184 4.611 ( -3.574 13.275 13.609) 19.345 4.841 ( -7.872 12.416 -8.387) 16.926 6.471 ( 7.565 -6.379 4.739) 10.972 6.525 ( 7.320 -6.853 -0.309) 10.032 7.619 ( 9.717 -8.093 4.833) 13.538 7.705 ( 10.035 -6.977 -3.172) 12.627 8.831 ( -0.003 -2.199 -1.159) 2.486 8.847 ( 0.169 -3.130 -2.623) 4.087 10.598 ( 8.020 2.757 5.583) 10.153 10.708 ( 6.940 2.639 -4.772) 8.826 11.898 ( 8.285 0.470 2.297) 8.610 11.969 ( 6.855 1.186 -4.135) 8.093 12.580 ( -5.663 -2.385 0.244) 6.150 12.636 ( -7.090 -0.175 -4.453) 8.375 15.589 ( -7.346 -0.407 6.600) 9.884 15.706 ( -9.673 0.656 -5.006) 10.911 30.852 ( 8.269 1.803 3.130) 9.024 30.918 ( 6.935 0.902 -3.168) 7.678 34.240 ( -0.868 -1.043 2.350) 2.713 34.286 ( -1.908 -1.683 -2.075) 3.283 77.804 ( -9.375 5.643 3.386) 11.454 77.851 ( -10.766 5.125 -1.085) 11.973 ======================= Grid point 711 (223/240) ======================= q-point: ( 0.43 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.288 ( 7.021 -4.191 1.111) 8.251 3.320 ( 3.219 -4.324 -1.899) 5.716 4.529 ( -3.388 8.712 9.179) 13.100 4.666 ( -7.898 8.423 -3.910) 12.191 6.549 ( 1.351 -5.522 3.559) 6.707 6.585 ( 0.177 -4.872 0.077) 4.876 7.834 ( 9.031 -11.687 4.358) 15.400 7.903 ( 7.507 -9.954 -2.248) 12.669 8.835 ( 0.415 -2.856 -1.704) 3.351 8.847 ( -0.061 -3.462 -2.721) 4.404 10.742 ( 5.601 3.312 4.713) 8.035 10.819 ( 3.507 2.676 -2.372) 5.009 12.046 ( 5.949 2.208 0.731) 6.388 12.086 ( 4.341 2.571 -2.726) 5.734 12.480 ( -3.991 -2.313 -1.990) 5.024 12.510 ( -4.791 -0.682 -3.961) 6.254 15.473 ( -3.800 2.451 4.637) 6.477 15.545 ( -5.768 2.558 -2.394) 6.748 30.989 ( 4.836 1.924 1.710) 5.478 31.024 ( 3.310 1.439 -1.704) 3.991 34.230 ( -0.151 -1.393 1.426) 1.999 34.253 ( -1.269 -1.719 -0.852) 2.300 77.656 ( -4.901 3.242 2.504) 6.387 77.683 ( -5.498 2.930 -0.054) 6.231 ======================= Grid point 712 (224/240) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.348 ( 0.000 -3.700 1.070) 3.852 3.373 ( 0.000 -2.953 -1.388) 3.263 4.495 ( 0.000 6.557 6.207) 9.029 4.571 ( 0.000 6.478 -0.946) 6.547 6.561 ( 0.000 -5.192 2.680) 5.843 6.580 ( 0.000 -4.282 0.770) 4.351 7.934 ( 0.000 -12.977 3.546) 13.453 7.981 ( 0.000 -10.825 -1.252) 10.897 8.842 ( 0.000 -2.959 -2.363) 3.786 8.845 ( 0.000 -3.509 -2.326) 4.210 10.807 ( 0.000 3.550 3.570) 5.035 10.852 ( 0.000 2.351 -0.506) 2.404 12.122 ( 0.000 4.005 0.157) 4.008 12.129 ( -0.000 2.227 -2.211) 3.138 12.431 ( 0.000 -2.218 -2.810) 3.580 12.457 ( 0.000 -1.140 -3.945) 4.106 15.435 ( 0.000 3.762 3.452) 5.106 15.482 ( 0.000 3.087 -0.981) 3.239 31.044 ( 0.000 1.855 0.498) 1.920 31.054 ( 0.000 1.759 -0.477) 1.822 34.233 ( -0.000 -1.625 0.450) 1.687 34.235 ( 0.000 -1.639 0.229) 1.655 77.606 ( 0.000 2.378 2.229) 3.259 77.627 ( 0.000 2.146 0.251) 2.161 ======================= Grid point 720 (225/240) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.466 ( 0.000 3.275 9.215) 9.780 2.728 ( 0.000 3.866 7.045) 8.036 2.782 ( 0.000 -9.938 -20.254) 22.560 2.871 ( 0.000 0.400 -6.765) 6.777 6.200 ( 0.000 16.974 15.977) 23.310 6.398 ( 0.000 11.662 -2.387) 11.904 7.670 ( 0.000 -3.618 5.890) 6.913 7.810 ( 0.000 -4.548 -6.054) 7.572 8.127 ( 0.000 -0.232 3.779) 3.786 8.210 ( 0.000 -0.599 -4.231) 4.273 10.278 ( 0.000 -5.811 1.311) 5.957 10.376 ( 0.000 -8.218 -8.260) 11.652 11.056 ( 0.000 -0.293 3.652) 3.664 11.130 ( 0.000 -0.242 -3.458) 3.466 13.110 ( 0.000 2.817 12.452) 12.766 13.345 ( 0.000 4.741 -9.503) 10.620 16.179 ( 0.000 -7.322 17.473) 18.945 16.564 ( 0.000 -5.773 -20.736) 21.524 30.034 ( 0.000 0.637 4.452) 4.497 30.125 ( 0.000 0.038 -4.374) 4.374 34.371 ( 0.000 -0.225 2.585) 2.595 34.449 ( 0.000 -1.305 -4.869) 5.041 79.237 ( 0.000 13.462 8.629) 15.990 79.441 ( 0.000 5.519 -11.301) 12.577 ======================= Grid point 721 (226/240) ======================= q-point: ( 0.07 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.481 ( 1.735 3.196 8.587) 9.325 2.774 ( 0.479 -8.916 -18.520) 20.560 3.057 ( 29.129 3.340 6.947) 30.132 3.205 ( 29.378 -0.213 -7.307) 30.274 6.159 ( -3.721 16.057 15.182) 22.409 6.342 ( -5.179 10.899 -1.746) 12.192 7.622 ( -3.753 -3.574 5.047) 7.234 7.745 ( -4.952 -4.447 -5.392) 8.566 8.263 ( 11.493 -0.250 4.176) 12.230 8.354 ( 11.983 -0.078 -4.615) 12.841 10.252 ( -2.044 -4.565 1.219) 5.148 10.344 ( -2.419 -6.827 -7.721) 10.586 11.113 ( 5.235 -1.164 3.765) 6.552 11.193 ( 5.830 -1.043 -3.905) 7.094 13.076 ( -3.239 2.376 11.725) 12.394 13.301 ( -4.191 4.361 -9.224) 11.030 16.133 ( -4.316 -6.963 16.806) 18.696 16.501 ( -5.954 -5.434 -19.684) 21.271 30.090 ( 5.315 0.657 4.428) 6.949 30.181 ( 5.246 -0.008 -4.342) 6.810 34.360 ( -1.021 -0.216 2.578) 2.781 34.436 ( -1.209 -1.256 -4.695) 5.008 79.144 ( -8.872 12.874 8.051) 17.586 79.330 ( -10.509 5.647 -10.120) 15.644 ======================= Grid point 722 (227/240) ======================= q-point: ( 0.14 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.543 ( 4.337 2.366 7.375) 8.877 2.801 ( 2.163 -8.505 -16.731) 18.893 3.795 ( 39.338 3.610 8.233) 40.353 3.958 ( 40.846 0.580 -7.575) 41.547 6.063 ( -4.998 12.888 12.731) 18.793 6.202 ( -7.923 8.426 -0.005) 11.566 7.539 ( -4.085 -3.509 3.771) 6.574 7.636 ( -5.472 -4.507 -4.384) 8.335 8.527 ( 12.508 0.242 4.351) 13.246 8.620 ( 12.033 0.940 -4.792) 12.986 10.225 ( 0.345 -2.280 1.465) 2.732 10.316 ( 0.614 -4.392 -7.178) 8.438 11.257 ( 8.481 -2.242 4.258) 9.752 11.353 ( 9.311 -2.015 -4.908) 10.717 12.979 ( -6.018 1.270 9.877) 11.636 13.179 ( -7.484 3.375 -8.566) 11.865 16.012 ( -7.155 -5.912 15.051) 17.682 16.333 ( -9.887 -4.480 -16.876) 20.066 30.243 ( 9.284 0.730 4.304) 10.259 30.331 ( 9.043 -0.073 -4.180) 9.963 34.331 ( -1.736 -0.214 2.532) 3.078 34.401 ( -2.101 -1.154 -4.205) 4.840 78.891 ( -15.120 11.212 6.596) 19.946 79.033 ( -17.535 5.707 -7.278) 19.825 ======================= Grid point 723 (228/240) ======================= q-point: ( 0.21 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.661 ( 7.141 1.019 5.830) 9.275 2.867 ( 4.359 -7.682 -13.567) 16.189 4.547 ( 30.543 6.745 11.668) 33.384 4.766 ( 34.383 3.627 -9.557) 35.870 5.993 ( -0.460 5.620 8.318) 10.049 6.053 ( -4.838 3.087 2.944) 6.450 7.462 ( -3.182 -3.387 2.391) 5.226 7.528 ( -4.706 -4.327 -2.971) 7.050 8.728 ( 6.438 0.377 3.032) 7.126 8.797 ( 4.709 1.197 -3.982) 6.282 10.290 ( 6.004 -0.397 2.573) 6.545 10.392 ( 6.785 -1.943 -7.145) 10.043 11.455 ( 10.621 -2.204 4.603) 11.784 11.563 ( 10.858 -1.989 -5.728) 12.436 12.837 ( -7.596 0.028 7.512) 10.683 13.004 ( -9.192 2.124 -7.867) 12.283 15.854 ( -7.851 -4.268 12.739) 15.561 16.114 ( -10.986 -3.061 -13.109) 17.375 30.457 ( 11.121 0.867 3.978) 11.843 30.537 ( 10.612 -0.027 -3.768) 11.261 34.292 ( -1.978 -0.271 2.393) 3.117 34.353 ( -2.505 -1.081 -3.476) 4.419 78.549 ( -17.449 8.797 4.872) 20.139 78.642 ( -19.691 5.189 -4.171) 20.786 ======================= Grid point 724 (229/240) ======================= q-point: ( 0.29 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.833 ( 9.332 -0.449 4.232) 10.256 2.978 ( 6.301 -6.328 -9.555) 13.078 4.927 ( 5.644 12.134 15.234) 20.277 5.192 ( 4.146 9.995 -10.017) 14.746 6.096 ( 12.090 -6.195 5.839) 14.787 6.130 ( 11.786 -3.410 2.333) 12.489 7.421 ( -0.376 -3.341 1.912) 3.868 7.471 ( 0.218 -4.754 -2.241) 5.260 8.796 ( 0.879 -0.420 0.761) 1.236 8.830 ( -0.604 0.279 -2.898) 2.973 10.455 ( 9.394 1.024 3.981) 10.254 10.568 ( 9.436 0.127 -6.611) 11.522 11.684 ( 11.292 -1.105 3.963) 12.018 11.786 ( 10.463 -1.069 -5.673) 11.949 12.679 ( -7.397 -0.833 4.955) 8.942 12.813 ( -9.123 0.975 -7.219) 11.675 15.701 ( -6.746 -2.247 10.268) 12.490 15.896 ( -9.859 -1.378 -9.159) 13.527 30.685 ( 10.718 1.039 3.382) 11.287 30.752 ( 9.926 0.182 -3.063) 10.390 34.253 ( -1.755 -0.418 2.105) 2.773 34.301 ( -2.423 -1.073 -2.588) 3.704 78.198 ( -16.077 6.135 3.393) 17.539 78.252 ( -17.657 4.026 -1.777) 18.197 ======================= Grid point 725 (230/240) ======================= q-point: ( 0.36 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.034 ( 9.906 -1.709 2.800) 10.435 3.118 ( 7.063 -4.270 -5.198) 9.754 4.875 ( -7.629 10.962 13.245) 18.809 5.068 ( -11.678 8.260 -4.814) 15.092 6.350 ( 8.954 -4.719 4.008) 10.886 6.386 ( 9.838 -5.915 0.554) 11.493 7.476 ( 5.980 -4.623 3.466) 8.315 7.550 ( 6.791 -6.991 -3.274) 10.281 8.793 ( -0.660 -1.293 -0.821) 1.668 8.806 ( -1.136 -1.017 -2.420) 2.860 10.649 ( 8.906 1.956 4.445) 10.144 10.749 ( 7.602 1.198 -4.785) 9.062 11.905 ( 9.922 0.291 2.210) 10.169 11.982 ( 8.406 0.141 -4.781) 9.671 12.543 ( -5.714 -1.108 2.292) 6.255 12.638 ( -7.731 0.214 -6.300) 9.975 15.583 ( -4.598 -0.177 7.701) 8.971 15.716 ( -7.622 0.266 -5.447) 9.372 30.885 ( 8.434 1.184 2.524) 8.883 30.933 ( 7.416 0.503 -2.110) 7.727 34.222 ( -1.186 -0.634 1.645) 2.125 34.256 ( -1.957 -1.101 -1.623) 2.771 77.906 ( -12.021 3.783 2.394) 12.828 77.935 ( -12.901 2.618 -0.341) 13.168 ======================= Grid point 726 (231/240) ======================= q-point: ( 0.43 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.217 ( 7.079 -2.314 1.926) 7.692 3.254 ( 5.614 -2.087 -1.524) 6.180 4.707 ( -7.018 7.515 9.426) 13.949 4.819 ( -10.865 5.411 -1.034) 12.182 6.457 ( 2.437 -2.964 3.704) 5.333 6.495 ( 1.789 -3.684 0.076) 4.096 7.623 ( 6.590 -7.099 3.678) 10.361 7.696 ( 5.935 -8.899 -3.102) 11.137 8.784 ( -0.091 -1.768 -1.430) 2.276 8.792 ( -0.269 -1.811 -2.335) 2.967 10.805 ( 5.890 2.330 3.585) 7.278 10.866 ( 3.514 1.585 -1.948) 4.319 12.081 ( 6.928 1.205 -0.269) 7.037 12.125 ( 5.227 0.959 -3.776) 6.519 12.447 ( -3.574 -0.788 -0.052) 3.660 12.500 ( -5.395 -0.262 -4.680) 7.147 15.516 ( -1.846 1.543 4.961) 5.513 15.587 ( -4.762 1.410 -2.048) 5.373 31.023 ( 4.841 1.238 1.473) 5.209 31.049 ( 3.703 0.827 -0.998) 3.924 34.205 ( -0.420 -0.859 1.017) 1.396 34.223 ( -1.246 -1.106 -0.661) 1.793 77.715 ( -6.369 2.190 1.869) 6.989 77.731 ( -6.729 1.505 0.330) 6.903 ======================= Grid point 727 (232/240) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.293 ( 0.000 -1.367 2.143) 2.542 3.320 ( 0.000 -2.063 -0.428) 2.107 4.634 ( 0.000 6.039 6.567) 8.921 4.689 ( -0.000 4.114 1.388) 4.342 6.480 ( 0.000 -2.401 3.109) 3.928 6.506 ( 0.000 -2.853 0.575) 2.910 7.697 ( 0.000 -8.161 3.321) 8.811 7.760 ( 0.000 -9.381 -2.663) 9.752 8.785 ( 0.000 -2.028 -1.597) 2.582 8.790 ( 0.000 -1.914 -2.270) 2.969 10.875 ( -0.000 2.600 2.080) 3.330 10.894 ( 0.000 1.481 0.396) 1.533 12.166 ( 0.000 1.319 -2.603) 2.918 12.180 ( -0.000 1.389 -2.791) 3.118 12.405 ( 0.000 -0.138 -1.078) 1.086 12.437 ( 0.000 -0.862 -3.226) 3.340 15.503 ( -0.000 2.617 2.834) 3.858 15.530 ( 0.000 1.435 0.283) 1.462 31.077 ( 0.000 1.238 0.551) 1.355 31.084 ( 0.000 0.972 -0.057) 0.973 34.205 ( -0.000 -0.999 0.310) 1.045 34.206 ( 0.000 -1.059 0.164) 1.072 77.649 ( 0.000 1.627 1.712) 2.361 77.662 ( 0.000 1.089 0.515) 1.205 ======================= Grid point 735 (233/240) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.582 ( 0.000 0.000 -6.544) 6.544 2.598 ( 0.000 -0.000 -7.754) 7.754 2.772 ( 0.000 0.000 4.773) 4.773 2.872 ( 0.000 0.000 -4.878) 4.878 6.405 ( 0.000 0.000 12.126) 12.126 6.516 ( 0.000 0.000 3.224) 3.224 7.634 ( 0.000 0.000 3.786) 3.786 7.751 ( 0.000 0.000 -4.906) 4.906 8.125 ( 0.000 0.000 3.532) 3.532 8.204 ( 0.000 0.000 -4.090) 4.090 10.218 ( 0.000 0.000 -1.337) 1.337 10.275 ( 0.000 -0.000 -7.454) 7.454 11.053 ( 0.000 0.000 3.713) 3.713 11.127 ( 0.000 0.000 -3.443) 3.443 13.142 ( 0.000 0.000 13.955) 13.955 13.397 ( 0.000 0.000 -9.966) 9.966 16.100 ( 0.000 0.000 18.033) 18.033 16.501 ( 0.000 0.000 -21.703) 21.703 30.041 ( 0.000 0.000 4.139) 4.139 30.125 ( 0.000 0.000 -4.041) 4.041 34.368 ( 0.000 0.000 1.975) 1.975 34.435 ( 0.000 0.000 -4.397) 4.397 79.408 ( 0.000 0.000 2.202) 2.202 79.472 ( 0.000 -0.000 -4.295) 4.295 ======================= Grid point 737 (234/240) ======================= q-point: ( 0.07 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.590 ( 1.022 0.000 -6.003) 6.090 2.607 ( 1.144 -0.000 -7.302) 7.391 3.095 ( 28.909 0.000 4.935) 29.327 3.201 ( 29.513 0.000 -5.234) 29.973 6.354 ( -4.747 0.000 11.440) 12.385 6.451 ( -6.023 0.000 3.696) 7.066 7.586 ( -3.718 0.000 2.888) 4.708 7.685 ( -5.087 0.000 -4.321) 6.675 8.262 ( 11.719 0.000 4.247) 12.465 8.354 ( 12.518 0.000 -4.572) 13.326 10.205 ( -0.888 0.000 -1.337) 1.605 10.258 ( -1.166 -0.000 -6.963) 7.060 11.101 ( 4.528 0.000 3.894) 5.972 11.182 ( 5.188 0.000 -3.914) 6.499 13.103 ( -3.694 0.000 13.211) 13.718 13.349 ( -4.569 0.000 -9.779) 10.793 16.058 ( -3.944 0.000 17.390) 17.832 16.442 ( -5.602 0.000 -20.618) 21.365 30.097 ( 5.339 0.000 4.091) 6.726 30.180 ( 5.207 0.000 -3.964) 6.544 34.358 ( -1.012 0.000 1.983) 2.227 34.422 ( -1.165 0.000 -4.239) 4.397 79.306 ( -9.662 0.000 2.148) 9.898 79.364 ( -10.209 -0.000 -3.751) 10.876 ======================= Grid point 739 (235/240) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.630 ( 2.975 0.000 -4.979) 5.800 2.651 ( 3.257 -0.000 -6.701) 7.450 3.834 ( 39.865 0.000 6.394) 40.375 3.962 ( 41.553 0.000 -5.996) 41.983 6.224 ( -7.441 0.000 9.363) 11.959 6.283 ( -9.883 0.000 4.940) 11.048 7.505 ( -3.950 0.000 1.446) 4.206 7.573 ( -5.536 0.000 -3.182) 6.385 8.532 ( 12.800 0.000 4.825) 13.679 8.631 ( 12.506 0.000 -4.873) 13.422 10.204 ( 1.493 0.000 -0.886) 1.736 10.259 ( 2.082 -0.000 -6.412) 6.742 11.233 ( 8.129 0.000 4.440) 9.263 11.331 ( 8.993 0.000 -4.977) 10.278 12.995 ( -6.704 0.000 11.295) 13.135 13.216 ( -8.102 0.000 -9.339) 12.363 15.948 ( -6.436 0.000 15.672) 16.942 16.284 ( -9.247 0.000 -17.690) 19.961 30.251 ( 9.343 0.000 3.916) 10.130 30.330 ( 9.028 0.000 -3.704) 9.759 34.329 ( -1.743 0.000 1.980) 2.637 34.389 ( -2.051 0.000 -3.791) 4.310 79.030 ( -16.502 0.000 1.986) 16.621 79.074 ( -17.316 -0.000 -2.435) 17.487 ======================= Grid point 741 (236/240) ======================= q-point: ( 0.21 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.716 ( 5.382 0.000 -3.336) 6.332 2.744 ( 5.882 -0.000 -5.871) 8.311 4.619 ( 33.502 0.000 9.746) 34.891 4.801 ( 37.220 0.000 -7.931) 38.056 6.070 ( -9.628 -0.000 7.308) 12.087 6.080 ( -5.261 0.000 5.414) 7.549 7.431 ( -3.058 -0.000 0.167) 3.062 7.466 ( -4.559 0.000 -1.723) 4.874 8.734 ( 6.239 0.000 3.666) 7.236 8.811 ( 4.484 0.000 -4.085) 6.066 10.288 ( 6.779 0.000 0.841) 6.830 10.366 ( 8.261 0.000 -6.696) 10.634 11.431 ( 10.959 0.000 4.765) 11.951 11.541 ( 11.114 0.000 -5.775) 12.525 12.838 ( -8.198 0.000 8.756) 11.995 13.028 ( -9.863 0.000 -8.823) 13.233 15.808 ( -6.864 0.000 13.347) 15.008 16.080 ( -10.149 0.000 -13.714) 17.061 30.466 ( 11.209 0.000 3.558) 11.760 30.537 ( 10.676 0.000 -3.220) 11.151 34.289 ( -2.028 0.000 1.902) 2.780 34.341 ( -2.485 0.000 -3.114) 3.984 78.657 ( -19.096 0.000 1.746) 19.176 78.684 ( -19.850 -0.000 -0.998) 19.875 ======================= Grid point 743 (237/240) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 2.850 ( 7.615 0.000 -1.169) 7.705 2.890 ( 8.143 -0.000 -4.811) 9.458 5.069 ( 7.600 0.000 13.892) 15.835 5.303 ( 5.773 0.000 -8.336) 10.140 6.019 ( 9.226 -0.000 8.156) 12.314 6.093 ( 8.007 0.000 0.787) 8.046 7.394 ( -0.007 -0.000 -0.585) 0.585 7.404 ( -0.857 0.000 -0.440) 0.963 8.794 ( 0.275 0.000 1.279) 1.308 8.834 ( -1.269 0.000 -3.049) 3.302 10.468 ( 9.993 0.000 2.919) 10.411 10.568 ( 10.337 0.000 -6.417) 12.167 11.672 ( 12.065 0.000 3.989) 12.707 11.773 ( 11.076 0.000 -5.603) 12.412 12.671 ( -7.703 0.000 5.915) 9.712 12.824 ( -9.656 0.000 -8.172) 12.650 15.677 ( -5.641 0.000 10.777) 12.164 15.881 ( -8.952 0.000 -9.516) 13.065 30.697 ( 10.807 0.000 2.990) 11.213 30.754 ( 10.070 0.000 -2.517) 10.380 34.248 ( -1.853 0.000 1.697) 2.513 34.290 ( -2.432 0.000 -2.292) 3.342 78.273 ( -17.637 0.000 1.493) 17.700 78.287 ( -18.153 -0.000 0.081) 18.153 ======================= Grid point 745 (238/240) ======================= q-point: ( 0.36 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.022 ( 8.766 0.000 1.028) 8.826 3.069 ( 8.851 -0.000 -3.369) 9.471 5.006 ( -9.556 0.000 12.011) 15.349 5.156 ( -13.620 0.000 -1.602) 13.714 6.302 ( 12.014 0.000 2.108) 12.197 6.309 ( 9.355 0.000 1.829) 9.532 7.448 ( 5.199 -0.000 -0.553) 5.229 7.449 ( 5.044 0.000 0.080) 5.045 8.779 ( -1.022 0.000 -0.576) 1.173 8.796 ( -1.798 0.000 -2.524) 3.099 10.671 ( 9.220 0.000 3.697) 9.934 10.761 ( 7.967 0.000 -4.526) 9.162 11.909 ( 10.606 0.000 2.015) 10.796 11.982 ( 8.951 0.000 -4.685) 10.103 12.532 ( -5.684 0.000 3.006) 6.430 12.641 ( -8.025 0.000 -7.025) 10.666 15.581 ( -3.574 0.000 8.023) 8.783 15.718 ( -6.841 0.000 -5.563) 8.817 30.898 ( 8.489 0.000 2.231) 8.777 30.938 ( 7.595 0.000 -1.647) 7.772 34.215 ( -1.309 0.000 1.342) 1.875 34.244 ( -1.969 0.000 -1.415) 2.425 77.952 ( -13.202 0.000 1.289) 13.265 77.958 ( -13.478 -0.000 0.689) 13.495 ======================= Grid point 747 (239/240) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.194 ( 7.331 0.000 2.303) 7.684 3.231 ( 6.189 0.000 -1.233) 6.311 4.798 ( -8.653 0.000 8.533) 12.153 4.874 ( -12.051 0.000 1.512) 12.145 6.431 ( 3.062 0.000 2.577) 4.002 6.447 ( 2.917 0.000 0.901) 3.053 7.570 ( 5.399 -0.001 0.163) 5.401 7.571 ( 5.419 0.001 -0.230) 5.424 8.766 ( -0.226 0.000 -1.494) 1.511 8.772 ( -0.575 0.000 -2.204) 2.278 10.830 ( 5.956 0.000 3.023) 6.679 10.882 ( 3.664 0.000 -1.654) 4.020 12.095 ( 7.221 0.000 -0.768) 7.262 12.132 ( 5.408 0.000 -3.905) 6.670 12.441 ( -3.086 -0.000 0.538) 3.132 12.498 ( -5.751 0.000 -4.836) 7.514 15.533 ( -1.087 0.000 4.983) 5.100 15.602 ( -4.414 0.000 -1.883) 4.799 31.037 ( 4.840 0.000 1.327) 5.018 31.057 ( 3.850 0.000 -0.675) 3.908 34.196 ( -0.530 0.000 0.838) 0.991 34.211 ( -1.229 0.000 -0.566) 1.353 77.742 ( -6.987 0.000 1.155) 7.082 77.744 ( -7.112 -0.000 0.957) 7.176 ======================= Grid point 749 (240/240) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 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| 3.289 ( -0.649 -0.660 1.363) 1.648 3.289 ( 0.649 0.660 1.363) 1.648 4.719 ( -1.079 -1.273 4.670) 4.959 4.719 ( 1.079 1.273 4.670) 4.959 6.464 ( -0.155 -0.822 1.736) 1.927 6.464 ( 0.155 0.822 1.737) 1.927 7.631 ( -0.000 -2.018 0.026) 2.018 7.631 ( 0.000 2.018 0.026) 2.018 8.766 ( -0.026 -0.234 -1.895) 1.910 8.766 ( 0.026 0.234 -1.895) 1.910 10.907 ( -1.141 -0.202 1.136) 1.623 10.907 ( 1.141 0.202 1.136) 1.623 12.186 ( -0.553 -0.415 -3.319) 3.391 12.186 ( 0.554 0.415 -3.319) 3.391 12.418 ( -0.823 -0.826 -1.631) 2.005 12.418 ( 0.823 0.826 -1.631) 2.005 15.539 ( -1.326 -0.417 1.643) 2.152 15.539 ( 1.326 0.417 1.643) 2.152 31.092 ( -0.429 -0.091 0.337) 0.553 31.092 ( 0.429 0.091 0.337) 0.553 34.194 ( -0.346 -0.009 0.197) 0.398 34.194 ( 0.346 0.009 0.197) 0.398 77.670 ( -0.002 -0.323 1.068) 1.116 77.670 ( 0.002 0.323 1.068) 1.116 =================== 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 8422.963 6794.051 7821.374 0.000 0.000 0.000 3/30240 20.0 1819.760 1472.966 1541.201 0.000 0.000 0.000 3/30240 30.0 813.523 585.637 631.771 0.000 0.000 0.000 3/30240 40.0 470.503 304.401 338.363 0.000 0.000 0.000 3/30240 50.0 306.860 184.571 209.521 0.000 0.000 0.000 3/30240 60.0 214.801 123.894 142.616 0.000 0.000 0.000 3/30240 70.0 158.394 89.281 103.725 0.000 0.000 0.000 3/30240 80.0 121.835 67.800 79.259 0.000 0.000 0.000 3/30240 90.0 97.058 53.612 62.938 0.000 0.000 0.000 3/30240 100.0 79.613 43.773 51.542 0.000 0.000 0.000 3/30240 110.0 66.913 36.678 43.281 0.000 0.000 0.000 3/30240 120.0 57.393 31.390 37.103 0.000 0.000 0.000 3/30240 130.0 50.069 27.340 32.358 0.000 0.000 0.000 3/30240 140.0 44.307 24.161 28.628 0.000 0.000 0.000 3/30240 150.0 39.683 21.616 25.637 0.000 0.000 0.000 3/30240 160.0 35.907 19.541 23.196 0.000 0.000 0.000 3/30240 170.0 32.775 17.822 21.172 0.000 0.000 0.000 3/30240 180.0 30.141 16.378 19.471 0.000 0.000 0.000 3/30240 190.0 27.900 15.151 18.024 0.000 0.000 0.000 3/30240 200.0 25.972 14.095 16.779 0.000 0.000 0.000 3/30240 210.0 24.298 13.179 15.699 0.000 0.000 0.000 3/30240 220.0 22.830 12.377 14.752 0.000 0.000 0.000 3/30240 230.0 21.534 11.669 13.916 0.000 0.000 0.000 3/30240 240.0 20.382 11.040 13.172 0.000 0.000 0.000 3/30240 250.0 19.350 10.477 12.507 0.000 0.000 0.000 3/30240 260.0 18.422 9.970 11.908 0.000 0.000 0.000 3/30240 270.0 17.581 9.512 11.366 0.000 0.000 0.000 3/30240 280.0 16.818 9.095 10.873 0.000 0.000 0.000 3/30240 290.0 16.120 8.715 10.423 0.000 0.000 0.000 3/30240 300.0 15.480 8.366 10.010 0.000 0.000 0.000 3/30240 310.0 14.891 8.046 9.630 0.000 0.000 0.000 3/30240 320.0 14.347 7.750 9.279 0.000 0.000 0.000 3/30240 330.0 13.843 7.475 8.954 0.000 0.000 0.000 3/30240 340.0 13.375 7.220 8.651 0.000 0.000 0.000 3/30240 350.0 12.939 6.983 8.370 0.000 0.000 0.000 3/30240 360.0 12.532 6.761 8.107 0.000 0.000 0.000 3/30240 370.0 12.150 6.554 7.860 0.000 0.000 0.000 3/30240 380.0 11.792 6.359 7.629 0.000 0.000 0.000 3/30240 390.0 11.456 6.176 7.411 0.000 0.000 0.000 3/30240 400.0 11.139 6.004 7.206 0.000 0.000 0.000 3/30240 410.0 10.839 5.841 7.013 0.000 0.000 0.000 3/30240 420.0 10.557 5.687 6.829 0.000 0.000 0.000 3/30240 430.0 10.289 5.542 6.656 0.000 0.000 0.000 3/30240 440.0 10.035 5.404 6.492 0.000 0.000 0.000 3/30240 450.0 9.793 5.273 6.335 0.000 0.000 0.000 3/30240 460.0 9.564 5.148 6.187 0.000 0.000 0.000 3/30240 470.0 9.345 5.029 6.045 0.000 0.000 0.000 3/30240 480.0 9.137 4.916 5.910 0.000 0.000 0.000 3/30240 490.0 8.938 4.808 5.781 0.000 0.000 0.000 3/30240 500.0 8.748 4.705 5.658 0.000 0.000 0.000 3/30240 510.0 8.566 4.607 5.540 0.000 0.000 0.000 3/30240 520.0 8.392 4.512 5.427 0.000 0.000 0.000 3/30240 530.0 8.225 4.422 5.319 0.000 0.000 0.000 3/30240 540.0 8.065 4.335 5.215 0.000 0.000 0.000 3/30240 550.0 7.912 4.252 5.115 0.000 0.000 0.000 3/30240 560.0 7.764 4.172 5.019 0.000 0.000 0.000 3/30240 570.0 7.622 4.095 4.927 0.000 0.000 0.000 3/30240 580.0 7.485 4.021 4.838 0.000 0.000 0.000 3/30240 590.0 7.354 3.950 4.752 0.000 0.000 0.000 3/30240 600.0 7.227 3.881 4.670 0.000 0.000 0.000 3/30240 610.0 7.105 3.815 4.590 0.000 0.000 0.000 3/30240 620.0 6.987 3.751 4.513 0.000 0.000 0.000 3/30240 630.0 6.873 3.689 4.439 0.000 0.000 0.000 3/30240 640.0 6.762 3.629 4.367 0.000 0.000 0.000 3/30240 650.0 6.656 3.572 4.297 0.000 0.000 0.000 3/30240 660.0 6.553 3.516 4.230 0.000 0.000 0.000 3/30240 670.0 6.453 3.462 4.165 0.000 0.000 0.000 3/30240 680.0 6.356 3.410 4.102 0.000 0.000 0.000 3/30240 690.0 6.263 3.359 4.041 0.000 0.000 0.000 3/30240 700.0 6.172 3.310 3.982 0.000 0.000 0.000 3/30240 710.0 6.084 3.262 3.924 0.000 0.000 0.000 3/30240 720.0 5.998 3.216 3.868 0.000 0.000 0.000 3/30240 730.0 5.915 3.171 3.814 0.000 0.000 0.000 3/30240 740.0 5.835 3.128 3.761 0.000 0.000 0.000 3/30240 750.0 5.757 3.085 3.710 0.000 0.000 0.000 3/30240 760.0 5.680 3.044 3.660 0.000 0.000 0.000 3/30240 770.0 5.606 3.004 3.612 0.000 0.000 0.000 3/30240 780.0 5.534 2.965 3.565 0.000 0.000 0.000 3/30240 790.0 5.464 2.928 3.519 0.000 0.000 0.000 3/30240 800.0 5.396 2.891 3.474 0.000 0.000 0.000 3/30240 810.0 5.330 2.855 3.430 0.000 0.000 0.000 3/30240 820.0 5.265 2.820 3.388 0.000 0.000 0.000 3/30240 830.0 5.202 2.786 3.347 0.000 0.000 0.000 3/30240 840.0 5.140 2.753 3.306 0.000 0.000 0.000 3/30240 850.0 5.080 2.720 3.267 0.000 0.000 0.000 3/30240 860.0 5.021 2.689 3.228 0.000 0.000 0.000 3/30240 870.0 4.964 2.658 3.191 0.000 0.000 0.000 3/30240 880.0 4.908 2.628 3.154 0.000 0.000 0.000 3/30240 890.0 4.854 2.598 3.119 0.000 0.000 0.000 3/30240 900.0 4.801 2.570 3.084 0.000 0.000 0.000 3/30240 910.0 4.749 2.542 3.049 0.000 0.000 0.000 3/30240 920.0 4.698 2.514 3.016 0.000 0.000 0.000 3/30240 930.0 4.648 2.487 2.983 0.000 0.000 0.000 3/30240 940.0 4.599 2.461 2.952 0.000 0.000 0.000 3/30240 950.0 4.552 2.435 2.920 0.000 0.000 0.000 3/30240 960.0 4.505 2.410 2.890 0.000 0.000 0.000 3/30240 970.0 4.460 2.386 2.860 0.000 0.000 0.000 3/30240 980.0 4.415 2.362 2.830 0.000 0.000 0.000 3/30240 990.0 4.372 2.338 2.802 0.000 0.000 0.000 3/30240 1000.0 4.329 2.315 2.774 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 2026-01-08 23:20:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|