----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:35:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.139180655049816 -5.439411595000000 0.000000000000000 b 3.139180655049816 5.439411595000000 0.000000000000000 c -1.886978799448751 0.000000000000000 6.083208680647538 Atomic positions (fractional): *1 Rh 0.83338164759733 0.16661835240267 0.00000000000000 102.906 2 Rh 0.16661835240267 0.83338164759733 0.00000000000000 102.906 *3 Br 0.21738189770140 0.21738189770140 0.22811339440117 79.904 4 Br 0.78261810229860 0.78261810229860 0.77188660559883 79.904 *5 Br 0.08065217705454 0.43195554408613 0.77272763149703 79.904 6 Br 0.56804445591387 0.91934782294546 0.22727236850297 79.904 7 Br 0.91934782294547 0.56804445591387 0.22727236850297 79.904 8 Br 0.43195554408613 0.08065217705453 0.77272763149703 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.278361310099632 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878823190000000 0.000000000000000 c -1.886978799448751 0.000000000000000 6.083208680647538 Atomic positions (fractional): *1 Rh 0.00000000000000 0.16661835240267 0.00000000000000 102.906 > 1 2 Rh 0.50000000000000 0.33338164759733 0.00000000000000 102.906 > 2 3 Rh 0.50000000000000 0.66661835240267 0.00000000000000 102.906 > 1 4 Rh 0.00000000000000 0.83338164759733 0.00000000000000 102.906 > 2 *5 Br 0.21738189770140 0.00000000000000 0.22811339440117 79.904 > 3 6 Br 0.78261810229860 0.00000000000000 0.77188660559883 79.904 > 4 *7 Br 0.25630386057033 0.17565168351580 0.77272763149703 79.904 > 5 8 Br 0.74369613942967 0.17565168351580 0.22727236850297 79.904 > 6 9 Br 0.24369613942967 0.32434831648420 0.22727236850297 79.904 > 7 10 Br 0.75630386057033 0.32434831648420 0.77272763149703 79.904 > 8 11 Br 0.71738189770140 0.50000000000000 0.22811339440117 79.904 > 3 12 Br 0.28261810229860 0.50000000000000 0.77188660559883 79.904 > 4 13 Br 0.75630386057033 0.67565168351580 0.77272763149703 79.904 > 5 14 Br 0.24369613942967 0.67565168351580 0.22727236850297 79.904 > 6 15 Br 0.74369613942967 0.82434831648420 0.22727236850297 79.904 > 7 16 Br 0.25630386057033 0.82434831648420 0.77272763149703 79.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.556722620199263 0.000000000000000 0.000000000000000 b 0.000000000000000 21.757646380000001 0.000000000000000 c -3.773957598897502 0.000000000000000 12.166417361295077 Atomic positions (fractional): *1 Rh 0.00000000000000 0.08330917620133 0.00000000000000 102.906 > 1 2 Rh 0.50000000000000 0.08330917620133 0.00000000000000 102.906 > 1 3 Rh 0.00000000000000 0.58330917620133 0.00000000000000 102.906 > 1 4 Rh 0.50000000000000 0.58330917620133 0.00000000000000 102.906 > 1 5 Rh 0.00000000000000 0.08330917620133 0.50000000000000 102.906 > 1 6 Rh 0.50000000000000 0.08330917620133 0.50000000000000 102.906 > 1 7 Rh 0.00000000000000 0.58330917620133 0.50000000000000 102.906 > 1 8 Rh 0.50000000000000 0.58330917620133 0.50000000000000 102.906 > 1 9 Rh 0.25000000000000 0.16669082379867 0.00000000000000 102.906 > 2 10 Rh 0.75000000000000 0.16669082379867 0.00000000000000 102.906 > 2 11 Rh 0.25000000000000 0.66669082379867 0.00000000000000 102.906 > 2 12 Rh 0.75000000000000 0.66669082379867 0.00000000000000 102.906 > 2 13 Rh 0.25000000000000 0.16669082379867 0.50000000000000 102.906 > 2 14 Rh 0.75000000000000 0.16669082379867 0.50000000000000 102.906 > 2 15 Rh 0.25000000000000 0.66669082379867 0.50000000000000 102.906 > 2 16 Rh 0.75000000000000 0.66669082379867 0.50000000000000 102.906 > 2 17 Rh 0.25000000000000 0.33330917620133 0.00000000000000 102.906 > 1 18 Rh 0.75000000000000 0.33330917620133 0.00000000000000 102.906 > 1 19 Rh 0.25000000000000 0.83330917620133 0.00000000000000 102.906 > 1 20 Rh 0.75000000000000 0.83330917620133 0.00000000000000 102.906 > 1 21 Rh 0.25000000000000 0.33330917620133 0.50000000000000 102.906 > 1 22 Rh 0.75000000000000 0.33330917620133 0.50000000000000 102.906 > 1 23 Rh 0.25000000000000 0.83330917620133 0.50000000000000 102.906 > 1 24 Rh 0.75000000000000 0.83330917620133 0.50000000000000 102.906 > 1 25 Rh 0.00000000000000 0.41669082379867 0.00000000000000 102.906 > 2 26 Rh 0.50000000000000 0.41669082379867 0.00000000000000 102.906 > 2 27 Rh 0.00000000000000 0.91669082379867 0.00000000000000 102.906 > 2 28 Rh 0.50000000000000 0.91669082379867 0.00000000000000 102.906 > 2 29 Rh 0.00000000000000 0.41669082379867 0.50000000000000 102.906 > 2 30 Rh 0.50000000000000 0.41669082379867 0.50000000000000 102.906 > 2 31 Rh 0.00000000000000 0.91669082379867 0.50000000000000 102.906 > 2 32 Rh 0.50000000000000 0.91669082379867 0.50000000000000 102.906 > 2 *33 Br 0.10869094885070 0.00000000000000 0.11405669720059 79.904 > 3 34 Br 0.60869094885070 0.00000000000000 0.11405669720059 79.904 > 3 35 Br 0.10869094885070 0.50000000000000 0.11405669720059 79.904 > 3 36 Br 0.60869094885070 0.50000000000000 0.11405669720059 79.904 > 3 37 Br 0.10869094885070 0.00000000000000 0.61405669720059 79.904 > 3 38 Br 0.60869094885070 0.00000000000000 0.61405669720059 79.904 > 3 39 Br 0.10869094885070 0.50000000000000 0.61405669720059 79.904 > 3 40 Br 0.60869094885070 0.50000000000000 0.61405669720059 79.904 > 3 41 Br 0.39130905114930 0.00000000000000 0.38594330279941 79.904 > 4 42 Br 0.89130905114930 0.00000000000000 0.38594330279941 79.904 > 4 43 Br 0.39130905114930 0.50000000000000 0.38594330279941 79.904 > 4 44 Br 0.89130905114930 0.50000000000000 0.38594330279941 79.904 > 4 45 Br 0.39130905114930 0.00000000000000 0.88594330279941 79.904 > 4 46 Br 0.89130905114930 0.00000000000000 0.88594330279941 79.904 > 4 47 Br 0.39130905114930 0.50000000000000 0.88594330279941 79.904 > 4 48 Br 0.89130905114930 0.50000000000000 0.88594330279941 79.904 > 4 *49 Br 0.12815193028517 0.08782584175790 0.38636381574852 79.904 > 5 50 Br 0.62815193028517 0.08782584175790 0.38636381574852 79.904 > 5 51 Br 0.12815193028517 0.58782584175790 0.38636381574852 79.904 > 5 52 Br 0.62815193028517 0.58782584175790 0.38636381574852 79.904 > 5 53 Br 0.12815193028517 0.08782584175790 0.88636381574851 79.904 > 5 54 Br 0.62815193028517 0.08782584175790 0.88636381574851 79.904 > 5 55 Br 0.12815193028517 0.58782584175790 0.88636381574851 79.904 > 5 56 Br 0.62815193028517 0.58782584175790 0.88636381574851 79.904 > 5 57 Br 0.37184806971483 0.08782584175790 0.11363618425149 79.904 > 6 58 Br 0.87184806971483 0.08782584175790 0.11363618425149 79.904 > 6 59 Br 0.37184806971483 0.58782584175790 0.11363618425149 79.904 > 6 60 Br 0.87184806971483 0.58782584175790 0.11363618425149 79.904 > 6 61 Br 0.37184806971483 0.08782584175790 0.61363618425149 79.904 > 6 62 Br 0.87184806971483 0.08782584175790 0.61363618425149 79.904 > 6 63 Br 0.37184806971483 0.58782584175790 0.61363618425149 79.904 > 6 64 Br 0.87184806971483 0.58782584175790 0.61363618425149 79.904 > 6 65 Br 0.12184806971483 0.16217415824210 0.11363618425149 79.904 > 7 66 Br 0.62184806971483 0.16217415824210 0.11363618425149 79.904 > 7 67 Br 0.12184806971483 0.66217415824210 0.11363618425149 79.904 > 7 68 Br 0.62184806971483 0.66217415824210 0.11363618425149 79.904 > 7 69 Br 0.12184806971483 0.16217415824210 0.61363618425149 79.904 > 7 70 Br 0.62184806971483 0.16217415824210 0.61363618425149 79.904 > 7 71 Br 0.12184806971483 0.66217415824210 0.61363618425149 79.904 > 7 72 Br 0.62184806971483 0.66217415824210 0.61363618425149 79.904 > 7 73 Br 0.37815193028517 0.16217415824210 0.38636381574852 79.904 > 8 74 Br 0.87815193028517 0.16217415824210 0.38636381574852 79.904 > 8 75 Br 0.37815193028517 0.66217415824210 0.38636381574852 79.904 > 8 76 Br 0.87815193028517 0.66217415824210 0.38636381574852 79.904 > 8 77 Br 0.37815193028517 0.16217415824210 0.88636381574851 79.904 > 8 78 Br 0.87815193028517 0.16217415824210 0.88636381574851 79.904 > 8 79 Br 0.37815193028517 0.66217415824210 0.88636381574851 79.904 > 8 80 Br 0.87815193028517 0.66217415824210 0.88636381574851 79.904 > 8 81 Br 0.35869094885070 0.25000000000000 0.11405669720059 79.904 > 3 82 Br 0.85869094885070 0.25000000000000 0.11405669720059 79.904 > 3 83 Br 0.35869094885070 0.75000000000000 0.11405669720059 79.904 > 3 84 Br 0.85869094885070 0.75000000000000 0.11405669720059 79.904 > 3 85 Br 0.35869094885070 0.25000000000000 0.61405669720059 79.904 > 3 86 Br 0.85869094885070 0.25000000000000 0.61405669720059 79.904 > 3 87 Br 0.35869094885070 0.75000000000000 0.61405669720059 79.904 > 3 88 Br 0.85869094885070 0.75000000000000 0.61405669720059 79.904 > 3 89 Br 0.14130905114930 0.25000000000000 0.38594330279941 79.904 > 4 90 Br 0.64130905114930 0.25000000000000 0.38594330279941 79.904 > 4 91 Br 0.14130905114930 0.75000000000000 0.38594330279941 79.904 > 4 92 Br 0.64130905114930 0.75000000000000 0.38594330279941 79.904 > 4 93 Br 0.14130905114930 0.25000000000000 0.88594330279941 79.904 > 4 94 Br 0.64130905114930 0.25000000000000 0.88594330279941 79.904 > 4 95 Br 0.14130905114930 0.75000000000000 0.88594330279941 79.904 > 4 96 Br 0.64130905114930 0.75000000000000 0.88594330279941 79.904 > 4 97 Br 0.37815193028517 0.33782584175790 0.38636381574852 79.904 > 5 98 Br 0.87815193028517 0.33782584175790 0.38636381574852 79.904 > 5 99 Br 0.37815193028517 0.83782584175790 0.38636381574852 79.904 > 5 100 Br 0.87815193028517 0.83782584175790 0.38636381574852 79.904 > 5 101 Br 0.37815193028517 0.33782584175790 0.88636381574851 79.904 > 5 102 Br 0.87815193028517 0.33782584175790 0.88636381574851 79.904 > 5 103 Br 0.37815193028517 0.83782584175790 0.88636381574851 79.904 > 5 104 Br 0.87815193028517 0.83782584175790 0.88636381574851 79.904 > 5 105 Br 0.12184806971483 0.33782584175790 0.11363618425149 79.904 > 6 106 Br 0.62184806971483 0.33782584175790 0.11363618425149 79.904 > 6 107 Br 0.12184806971483 0.83782584175790 0.11363618425149 79.904 > 6 108 Br 0.62184806971483 0.83782584175790 0.11363618425149 79.904 > 6 109 Br 0.12184806971483 0.33782584175790 0.61363618425149 79.904 > 6 110 Br 0.62184806971483 0.33782584175790 0.61363618425149 79.904 > 6 111 Br 0.12184806971483 0.83782584175790 0.61363618425149 79.904 > 6 112 Br 0.62184806971483 0.83782584175790 0.61363618425149 79.904 > 6 113 Br 0.37184806971483 0.41217415824210 0.11363618425149 79.904 > 7 114 Br 0.87184806971483 0.41217415824210 0.11363618425149 79.904 > 7 115 Br 0.37184806971483 0.91217415824210 0.11363618425149 79.904 > 7 116 Br 0.87184806971483 0.91217415824210 0.11363618425149 79.904 > 7 117 Br 0.37184806971483 0.41217415824210 0.61363618425149 79.904 > 7 118 Br 0.87184806971483 0.41217415824210 0.61363618425149 79.904 > 7 119 Br 0.37184806971483 0.91217415824210 0.61363618425149 79.904 > 7 120 Br 0.87184806971483 0.91217415824210 0.61363618425149 79.904 > 7 121 Br 0.12815193028517 0.41217415824210 0.38636381574852 79.904 > 8 122 Br 0.62815193028517 0.41217415824210 0.38636381574852 79.904 > 8 123 Br 0.12815193028517 0.91217415824210 0.38636381574852 79.904 > 8 124 Br 0.62815193028517 0.91217415824210 0.38636381574852 79.904 > 8 125 Br 0.12815193028517 0.41217415824210 0.88636381574851 79.904 > 8 126 Br 0.62815193028517 0.41217415824210 0.88636381574851 79.904 > 8 127 Br 0.12815193028517 0.91217415824210 0.88636381574851 79.904 > 8 128 Br 0.62815193028517 0.91217415824210 0.88636381574851 79.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8770041 0.0000000 -0.1469177 0.0000000 7.8531054 0.0000000 -0.1469181 0.0000000 5.0760904 -------------------------- Born effective charges -------------------------- 1 Rh 1.3384712 0.0000000 0.0440247 0.0000000 1.3129120 0.0000000 -0.0199471 0.0000000 0.3236325 2 Rh 1.3384712 0.0000000 0.0440247 0.0000000 1.3129120 0.0000000 -0.0199471 0.0000000 0.3236325 3 Br -0.0493775 0.0000000 -0.7871758 0.0000000 -0.8456859 0.0000000 -0.3644546 0.0000000 -0.2042656 4 Br -0.0493775 0.0000000 -0.7871758 0.0000000 -0.8456859 0.0000000 -0.3644546 0.0000000 -0.2042656 5 Br -0.6445469 -0.3062539 0.3715755 -0.3072066 -0.2336130 -0.6431183 0.1922008 -0.2651839 -0.0596835 6 Br -0.6445469 0.3062539 0.3715755 0.3072066 -0.2336130 0.6431183 0.1922008 0.2651839 -0.0596835 7 Br -0.6445469 -0.3062539 0.3715755 -0.3072066 -0.2336130 -0.6431183 0.1922008 -0.2651839 -0.0596835 8 Br -0.6445469 0.3062539 0.3715755 0.3072066 -0.2336130 0.6431183 0.1922008 0.2651839 -0.0596835 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1262), data: False |-- (176, 173), data: True |-- (176, 173), data: True |-- (176, 173), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.879 Solver_block: 200 / 240 - Time: 1.900 Solver_block: 240 / 240 - Time: 0.842 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.951 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1262), data: False |-- (176, 173), data: True |-- (176, 173), data: True |-- (176, 173), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), 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 06:36:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:36:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.139180655049816 -5.439411595000000 0.000000000000000 b 3.139180655049816 5.439411595000000 0.000000000000000 c -1.886978799448751 0.000000000000000 6.083208680647538 Atomic positions (fractional): 1 Rh 0.83338164759733 0.16661835240267 0.00000000000000 102.906 2 Rh 0.16661835240267 0.83338164759733 0.00000000000000 102.906 3 Br 0.21738189770140 0.21738189770140 0.22811339440117 79.904 4 Br 0.78261810229860 0.78261810229860 0.77188660559883 79.904 5 Br 0.08065217705454 0.43195554408613 0.77272763149703 79.904 6 Br 0.56804445591387 0.91934782294546 0.22727236850297 79.904 7 Br 0.91934782294547 0.56804445591387 0.22727236850297 79.904 8 Br 0.43195554408613 0.08065217705453 0.77272763149703 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.556722620199263 0.000000000000000 0.000000000000000 b 0.000000000000000 21.757646380000001 0.000000000000000 c -3.773957598897502 0.000000000000000 12.166417361295077 Atomic positions (fractional): 1 Rh 0.00000000000000 0.08330917620133 0.00000000000000 102.906 > 1 2 Rh 0.50000000000000 0.08330917620133 0.00000000000000 102.906 > 1 3 Rh 0.00000000000000 0.58330917620133 0.00000000000000 102.906 > 1 4 Rh 0.50000000000000 0.58330917620133 0.00000000000000 102.906 > 1 5 Rh 0.00000000000000 0.08330917620133 0.50000000000000 102.906 > 1 6 Rh 0.50000000000000 0.08330917620133 0.50000000000000 102.906 > 1 7 Rh 0.00000000000000 0.58330917620133 0.50000000000000 102.906 > 1 8 Rh 0.50000000000000 0.58330917620133 0.50000000000000 102.906 > 1 9 Rh 0.25000000000000 0.16669082379867 0.00000000000000 102.906 > 9 10 Rh 0.75000000000000 0.16669082379867 0.00000000000000 102.906 > 9 11 Rh 0.25000000000000 0.66669082379867 0.00000000000000 102.906 > 9 12 Rh 0.75000000000000 0.66669082379867 0.00000000000000 102.906 > 9 13 Rh 0.25000000000000 0.16669082379867 0.50000000000000 102.906 > 9 14 Rh 0.75000000000000 0.16669082379867 0.50000000000000 102.906 > 9 15 Rh 0.25000000000000 0.66669082379867 0.50000000000000 102.906 > 9 16 Rh 0.75000000000000 0.66669082379867 0.50000000000000 102.906 > 9 17 Rh 0.25000000000000 0.33330917620133 0.00000000000000 102.906 > 1 18 Rh 0.75000000000000 0.33330917620133 0.00000000000000 102.906 > 1 19 Rh 0.25000000000000 0.83330917620133 0.00000000000000 102.906 > 1 20 Rh 0.75000000000000 0.83330917620133 0.00000000000000 102.906 > 1 21 Rh 0.25000000000000 0.33330917620133 0.50000000000000 102.906 > 1 22 Rh 0.75000000000000 0.33330917620133 0.50000000000000 102.906 > 1 23 Rh 0.25000000000000 0.83330917620133 0.50000000000000 102.906 > 1 24 Rh 0.75000000000000 0.83330917620133 0.50000000000000 102.906 > 1 25 Rh 0.00000000000000 0.41669082379867 0.00000000000000 102.906 > 9 26 Rh 0.50000000000000 0.41669082379867 0.00000000000000 102.906 > 9 27 Rh 0.00000000000000 0.91669082379867 0.00000000000000 102.906 > 9 28 Rh 0.50000000000000 0.91669082379867 0.00000000000000 102.906 > 9 29 Rh 0.00000000000000 0.41669082379867 0.50000000000000 102.906 > 9 30 Rh 0.50000000000000 0.41669082379867 0.50000000000000 102.906 > 9 31 Rh 0.00000000000000 0.91669082379867 0.50000000000000 102.906 > 9 32 Rh 0.50000000000000 0.91669082379867 0.50000000000000 102.906 > 9 33 Br 0.10869094885070 0.00000000000000 0.11405669720059 79.904 > 33 34 Br 0.60869094885070 0.00000000000000 0.11405669720059 79.904 > 33 35 Br 0.10869094885070 0.50000000000000 0.11405669720059 79.904 > 33 36 Br 0.60869094885070 0.50000000000000 0.11405669720059 79.904 > 33 37 Br 0.10869094885070 0.00000000000000 0.61405669720059 79.904 > 33 38 Br 0.60869094885070 0.00000000000000 0.61405669720059 79.904 > 33 39 Br 0.10869094885070 0.50000000000000 0.61405669720059 79.904 > 33 40 Br 0.60869094885070 0.50000000000000 0.61405669720059 79.904 > 33 41 Br 0.39130905114930 0.00000000000000 0.38594330279941 79.904 > 41 42 Br 0.89130905114930 0.00000000000000 0.38594330279941 79.904 > 41 43 Br 0.39130905114930 0.50000000000000 0.38594330279941 79.904 > 41 44 Br 0.89130905114930 0.50000000000000 0.38594330279941 79.904 > 41 45 Br 0.39130905114930 0.00000000000000 0.88594330279941 79.904 > 41 46 Br 0.89130905114930 0.00000000000000 0.88594330279941 79.904 > 41 47 Br 0.39130905114930 0.50000000000000 0.88594330279941 79.904 > 41 48 Br 0.89130905114930 0.50000000000000 0.88594330279941 79.904 > 41 49 Br 0.12815193028517 0.08782584175790 0.38636381574852 79.904 > 49 50 Br 0.62815193028517 0.08782584175790 0.38636381574852 79.904 > 49 51 Br 0.12815193028517 0.58782584175790 0.38636381574852 79.904 > 49 52 Br 0.62815193028517 0.58782584175790 0.38636381574852 79.904 > 49 53 Br 0.12815193028517 0.08782584175790 0.88636381574851 79.904 > 49 54 Br 0.62815193028517 0.08782584175790 0.88636381574851 79.904 > 49 55 Br 0.12815193028517 0.58782584175790 0.88636381574851 79.904 > 49 56 Br 0.62815193028517 0.58782584175790 0.88636381574851 79.904 > 49 57 Br 0.37184806971483 0.08782584175790 0.11363618425149 79.904 > 57 58 Br 0.87184806971483 0.08782584175790 0.11363618425149 79.904 > 57 59 Br 0.37184806971483 0.58782584175790 0.11363618425149 79.904 > 57 60 Br 0.87184806971483 0.58782584175790 0.11363618425149 79.904 > 57 61 Br 0.37184806971483 0.08782584175790 0.61363618425149 79.904 > 57 62 Br 0.87184806971483 0.08782584175790 0.61363618425149 79.904 > 57 63 Br 0.37184806971483 0.58782584175790 0.61363618425149 79.904 > 57 64 Br 0.87184806971483 0.58782584175790 0.61363618425149 79.904 > 57 65 Br 0.12184806971483 0.16217415824210 0.11363618425149 79.904 > 65 66 Br 0.62184806971483 0.16217415824210 0.11363618425149 79.904 > 65 67 Br 0.12184806971483 0.66217415824210 0.11363618425149 79.904 > 65 68 Br 0.62184806971483 0.66217415824210 0.11363618425149 79.904 > 65 69 Br 0.12184806971483 0.16217415824210 0.61363618425149 79.904 > 65 70 Br 0.62184806971483 0.16217415824210 0.61363618425149 79.904 > 65 71 Br 0.12184806971483 0.66217415824210 0.61363618425149 79.904 > 65 72 Br 0.62184806971483 0.66217415824210 0.61363618425149 79.904 > 65 73 Br 0.37815193028517 0.16217415824210 0.38636381574852 79.904 > 73 74 Br 0.87815193028517 0.16217415824210 0.38636381574852 79.904 > 73 75 Br 0.37815193028517 0.66217415824210 0.38636381574852 79.904 > 73 76 Br 0.87815193028517 0.66217415824210 0.38636381574852 79.904 > 73 77 Br 0.37815193028517 0.16217415824210 0.88636381574851 79.904 > 73 78 Br 0.87815193028517 0.16217415824210 0.88636381574851 79.904 > 73 79 Br 0.37815193028517 0.66217415824210 0.88636381574851 79.904 > 73 80 Br 0.87815193028517 0.66217415824210 0.88636381574851 79.904 > 73 81 Br 0.35869094885070 0.25000000000000 0.11405669720059 79.904 > 33 82 Br 0.85869094885070 0.25000000000000 0.11405669720059 79.904 > 33 83 Br 0.35869094885070 0.75000000000000 0.11405669720059 79.904 > 33 84 Br 0.85869094885070 0.75000000000000 0.11405669720059 79.904 > 33 85 Br 0.35869094885070 0.25000000000000 0.61405669720059 79.904 > 33 86 Br 0.85869094885070 0.25000000000000 0.61405669720059 79.904 > 33 87 Br 0.35869094885070 0.75000000000000 0.61405669720059 79.904 > 33 88 Br 0.85869094885070 0.75000000000000 0.61405669720059 79.904 > 33 89 Br 0.14130905114930 0.25000000000000 0.38594330279941 79.904 > 41 90 Br 0.64130905114930 0.25000000000000 0.38594330279941 79.904 > 41 91 Br 0.14130905114930 0.75000000000000 0.38594330279941 79.904 > 41 92 Br 0.64130905114930 0.75000000000000 0.38594330279941 79.904 > 41 93 Br 0.14130905114930 0.25000000000000 0.88594330279941 79.904 > 41 94 Br 0.64130905114930 0.25000000000000 0.88594330279941 79.904 > 41 95 Br 0.14130905114930 0.75000000000000 0.88594330279941 79.904 > 41 96 Br 0.64130905114930 0.75000000000000 0.88594330279941 79.904 > 41 97 Br 0.37815193028517 0.33782584175790 0.38636381574852 79.904 > 49 98 Br 0.87815193028517 0.33782584175790 0.38636381574852 79.904 > 49 99 Br 0.37815193028517 0.83782584175790 0.38636381574852 79.904 > 49 100 Br 0.87815193028517 0.83782584175790 0.38636381574852 79.904 > 49 101 Br 0.37815193028517 0.33782584175790 0.88636381574851 79.904 > 49 102 Br 0.87815193028517 0.33782584175790 0.88636381574851 79.904 > 49 103 Br 0.37815193028517 0.83782584175790 0.88636381574851 79.904 > 49 104 Br 0.87815193028517 0.83782584175790 0.88636381574851 79.904 > 49 105 Br 0.12184806971483 0.33782584175790 0.11363618425149 79.904 > 57 106 Br 0.62184806971483 0.33782584175790 0.11363618425149 79.904 > 57 107 Br 0.12184806971483 0.83782584175790 0.11363618425149 79.904 > 57 108 Br 0.62184806971483 0.83782584175790 0.11363618425149 79.904 > 57 109 Br 0.12184806971483 0.33782584175790 0.61363618425149 79.904 > 57 110 Br 0.62184806971483 0.33782584175790 0.61363618425149 79.904 > 57 111 Br 0.12184806971483 0.83782584175790 0.61363618425149 79.904 > 57 112 Br 0.62184806971483 0.83782584175790 0.61363618425149 79.904 > 57 113 Br 0.37184806971483 0.41217415824210 0.11363618425149 79.904 > 65 114 Br 0.87184806971483 0.41217415824210 0.11363618425149 79.904 > 65 115 Br 0.37184806971483 0.91217415824210 0.11363618425149 79.904 > 65 116 Br 0.87184806971483 0.91217415824210 0.11363618425149 79.904 > 65 117 Br 0.37184806971483 0.41217415824210 0.61363618425149 79.904 > 65 118 Br 0.87184806971483 0.41217415824210 0.61363618425149 79.904 > 65 119 Br 0.37184806971483 0.91217415824210 0.61363618425149 79.904 > 65 120 Br 0.87184806971483 0.91217415824210 0.61363618425149 79.904 > 65 121 Br 0.12815193028517 0.41217415824210 0.38636381574852 79.904 > 73 122 Br 0.62815193028517 0.41217415824210 0.38636381574852 79.904 > 73 123 Br 0.12815193028517 0.91217415824210 0.38636381574852 79.904 > 73 124 Br 0.62815193028517 0.91217415824210 0.38636381574852 79.904 > 73 125 Br 0.12815193028517 0.41217415824210 0.88636381574851 79.904 > 73 126 Br 0.62815193028517 0.41217415824210 0.88636381574851 79.904 > 73 127 Br 0.12815193028517 0.91217415824210 0.88636381574851 79.904 > 73 128 Br 0.62815193028517 0.91217415824210 0.88636381574851 79.904 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8770041 0.0000000 -0.1469177 0.0000000 7.8531054 0.0000000 -0.1469181 0.0000000 5.0760904 -------------------------- Born effective charges -------------------------- 1 Rh 1.3384712 0.0000000 0.0440247 0.0000000 1.3129120 0.0000000 -0.0199471 0.0000000 0.3236325 2 Rh 1.3384712 0.0000000 0.0440247 0.0000000 1.3129120 0.0000000 -0.0199471 0.0000000 0.3236325 3 Br -0.0493775 0.0000000 -0.7871758 0.0000000 -0.8456859 0.0000000 -0.3644546 0.0000000 -0.2042656 4 Br -0.0493775 0.0000000 -0.7871758 0.0000000 -0.8456859 0.0000000 -0.3644546 0.0000000 -0.2042656 5 Br -0.6445469 -0.3062539 0.3715755 -0.3072066 -0.2336130 -0.6431183 0.1922008 -0.2651839 -0.0596835 6 Br -0.6445469 0.3062539 0.3715755 0.3072066 -0.2336130 0.6431183 0.1922008 0.2651839 -0.0596835 7 Br -0.6445469 -0.3062539 0.3715755 -0.3072066 -0.2336130 -0.6431183 0.1922008 -0.2651839 -0.0596835 8 Br -0.6445469 0.3062539 0.3715755 0.3072066 -0.2336130 0.6431183 0.1922008 0.2651839 -0.0596835 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 33, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xyx) -0.00000004 (xyx) -0.00000004 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:36:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:36:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.139180655049816 -5.439411595000000 0.000000000000000 b 3.139180655049816 5.439411595000000 0.000000000000000 c -1.886978799448751 0.000000000000000 6.083208680647538 Atomic positions (fractional): 1 Rh 0.83338164759733 0.16661835240267 0.00000000000000 102.906 2 Rh 0.16661835240267 0.83338164759733 0.00000000000000 102.906 3 Br 0.21738189770140 0.21738189770140 0.22811339440117 79.904 4 Br 0.78261810229860 0.78261810229860 0.77188660559883 79.904 5 Br 0.08065217705454 0.43195554408613 0.77272763149703 79.904 6 Br 0.56804445591387 0.91934782294546 0.22727236850297 79.904 7 Br 0.91934782294547 0.56804445591387 0.22727236850297 79.904 8 Br 0.43195554408613 0.08065217705453 0.77272763149703 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.556722620199263 0.000000000000000 0.000000000000000 b 0.000000000000000 21.757646380000001 0.000000000000000 c -3.773957598897502 0.000000000000000 12.166417361295077 Atomic positions (fractional): 1 Rh 0.00000000000000 0.08330917620133 0.00000000000000 102.906 > 1 2 Rh 0.50000000000000 0.08330917620133 0.00000000000000 102.906 > 1 3 Rh 0.00000000000000 0.58330917620133 0.00000000000000 102.906 > 1 4 Rh 0.50000000000000 0.58330917620133 0.00000000000000 102.906 > 1 5 Rh 0.00000000000000 0.08330917620133 0.50000000000000 102.906 > 1 6 Rh 0.50000000000000 0.08330917620133 0.50000000000000 102.906 > 1 7 Rh 0.00000000000000 0.58330917620133 0.50000000000000 102.906 > 1 8 Rh 0.50000000000000 0.58330917620133 0.50000000000000 102.906 > 1 9 Rh 0.25000000000000 0.16669082379867 0.00000000000000 102.906 > 9 10 Rh 0.75000000000000 0.16669082379867 0.00000000000000 102.906 > 9 11 Rh 0.25000000000000 0.66669082379867 0.00000000000000 102.906 > 9 12 Rh 0.75000000000000 0.66669082379867 0.00000000000000 102.906 > 9 13 Rh 0.25000000000000 0.16669082379867 0.50000000000000 102.906 > 9 14 Rh 0.75000000000000 0.16669082379867 0.50000000000000 102.906 > 9 15 Rh 0.25000000000000 0.66669082379867 0.50000000000000 102.906 > 9 16 Rh 0.75000000000000 0.66669082379867 0.50000000000000 102.906 > 9 17 Rh 0.25000000000000 0.33330917620133 0.00000000000000 102.906 > 1 18 Rh 0.75000000000000 0.33330917620133 0.00000000000000 102.906 > 1 19 Rh 0.25000000000000 0.83330917620133 0.00000000000000 102.906 > 1 20 Rh 0.75000000000000 0.83330917620133 0.00000000000000 102.906 > 1 21 Rh 0.25000000000000 0.33330917620133 0.50000000000000 102.906 > 1 22 Rh 0.75000000000000 0.33330917620133 0.50000000000000 102.906 > 1 23 Rh 0.25000000000000 0.83330917620133 0.50000000000000 102.906 > 1 24 Rh 0.75000000000000 0.83330917620133 0.50000000000000 102.906 > 1 25 Rh 0.00000000000000 0.41669082379867 0.00000000000000 102.906 > 9 26 Rh 0.50000000000000 0.41669082379867 0.00000000000000 102.906 > 9 27 Rh 0.00000000000000 0.91669082379867 0.00000000000000 102.906 > 9 28 Rh 0.50000000000000 0.91669082379867 0.00000000000000 102.906 > 9 29 Rh 0.00000000000000 0.41669082379867 0.50000000000000 102.906 > 9 30 Rh 0.50000000000000 0.41669082379867 0.50000000000000 102.906 > 9 31 Rh 0.00000000000000 0.91669082379867 0.50000000000000 102.906 > 9 32 Rh 0.50000000000000 0.91669082379867 0.50000000000000 102.906 > 9 33 Br 0.10869094885070 0.00000000000000 0.11405669720059 79.904 > 33 34 Br 0.60869094885070 0.00000000000000 0.11405669720059 79.904 > 33 35 Br 0.10869094885070 0.50000000000000 0.11405669720059 79.904 > 33 36 Br 0.60869094885070 0.50000000000000 0.11405669720059 79.904 > 33 37 Br 0.10869094885070 0.00000000000000 0.61405669720059 79.904 > 33 38 Br 0.60869094885070 0.00000000000000 0.61405669720059 79.904 > 33 39 Br 0.10869094885070 0.50000000000000 0.61405669720059 79.904 > 33 40 Br 0.60869094885070 0.50000000000000 0.61405669720059 79.904 > 33 41 Br 0.39130905114930 0.00000000000000 0.38594330279941 79.904 > 41 42 Br 0.89130905114930 0.00000000000000 0.38594330279941 79.904 > 41 43 Br 0.39130905114930 0.50000000000000 0.38594330279941 79.904 > 41 44 Br 0.89130905114930 0.50000000000000 0.38594330279941 79.904 > 41 45 Br 0.39130905114930 0.00000000000000 0.88594330279941 79.904 > 41 46 Br 0.89130905114930 0.00000000000000 0.88594330279941 79.904 > 41 47 Br 0.39130905114930 0.50000000000000 0.88594330279941 79.904 > 41 48 Br 0.89130905114930 0.50000000000000 0.88594330279941 79.904 > 41 49 Br 0.12815193028517 0.08782584175790 0.38636381574852 79.904 > 49 50 Br 0.62815193028517 0.08782584175790 0.38636381574852 79.904 > 49 51 Br 0.12815193028517 0.58782584175790 0.38636381574852 79.904 > 49 52 Br 0.62815193028517 0.58782584175790 0.38636381574852 79.904 > 49 53 Br 0.12815193028517 0.08782584175790 0.88636381574851 79.904 > 49 54 Br 0.62815193028517 0.08782584175790 0.88636381574851 79.904 > 49 55 Br 0.12815193028517 0.58782584175790 0.88636381574851 79.904 > 49 56 Br 0.62815193028517 0.58782584175790 0.88636381574851 79.904 > 49 57 Br 0.37184806971483 0.08782584175790 0.11363618425149 79.904 > 57 58 Br 0.87184806971483 0.08782584175790 0.11363618425149 79.904 > 57 59 Br 0.37184806971483 0.58782584175790 0.11363618425149 79.904 > 57 60 Br 0.87184806971483 0.58782584175790 0.11363618425149 79.904 > 57 61 Br 0.37184806971483 0.08782584175790 0.61363618425149 79.904 > 57 62 Br 0.87184806971483 0.08782584175790 0.61363618425149 79.904 > 57 63 Br 0.37184806971483 0.58782584175790 0.61363618425149 79.904 > 57 64 Br 0.87184806971483 0.58782584175790 0.61363618425149 79.904 > 57 65 Br 0.12184806971483 0.16217415824210 0.11363618425149 79.904 > 65 66 Br 0.62184806971483 0.16217415824210 0.11363618425149 79.904 > 65 67 Br 0.12184806971483 0.66217415824210 0.11363618425149 79.904 > 65 68 Br 0.62184806971483 0.66217415824210 0.11363618425149 79.904 > 65 69 Br 0.12184806971483 0.16217415824210 0.61363618425149 79.904 > 65 70 Br 0.62184806971483 0.16217415824210 0.61363618425149 79.904 > 65 71 Br 0.12184806971483 0.66217415824210 0.61363618425149 79.904 > 65 72 Br 0.62184806971483 0.66217415824210 0.61363618425149 79.904 > 65 73 Br 0.37815193028517 0.16217415824210 0.38636381574852 79.904 > 73 74 Br 0.87815193028517 0.16217415824210 0.38636381574852 79.904 > 73 75 Br 0.37815193028517 0.66217415824210 0.38636381574852 79.904 > 73 76 Br 0.87815193028517 0.66217415824210 0.38636381574852 79.904 > 73 77 Br 0.37815193028517 0.16217415824210 0.88636381574851 79.904 > 73 78 Br 0.87815193028517 0.16217415824210 0.88636381574851 79.904 > 73 79 Br 0.37815193028517 0.66217415824210 0.88636381574851 79.904 > 73 80 Br 0.87815193028517 0.66217415824210 0.88636381574851 79.904 > 73 81 Br 0.35869094885070 0.25000000000000 0.11405669720059 79.904 > 33 82 Br 0.85869094885070 0.25000000000000 0.11405669720059 79.904 > 33 83 Br 0.35869094885070 0.75000000000000 0.11405669720059 79.904 > 33 84 Br 0.85869094885070 0.75000000000000 0.11405669720059 79.904 > 33 85 Br 0.35869094885070 0.25000000000000 0.61405669720059 79.904 > 33 86 Br 0.85869094885070 0.25000000000000 0.61405669720059 79.904 > 33 87 Br 0.35869094885070 0.75000000000000 0.61405669720059 79.904 > 33 88 Br 0.85869094885070 0.75000000000000 0.61405669720059 79.904 > 33 89 Br 0.14130905114930 0.25000000000000 0.38594330279941 79.904 > 41 90 Br 0.64130905114930 0.25000000000000 0.38594330279941 79.904 > 41 91 Br 0.14130905114930 0.75000000000000 0.38594330279941 79.904 > 41 92 Br 0.64130905114930 0.75000000000000 0.38594330279941 79.904 > 41 93 Br 0.14130905114930 0.25000000000000 0.88594330279941 79.904 > 41 94 Br 0.64130905114930 0.25000000000000 0.88594330279941 79.904 > 41 95 Br 0.14130905114930 0.75000000000000 0.88594330279941 79.904 > 41 96 Br 0.64130905114930 0.75000000000000 0.88594330279941 79.904 > 41 97 Br 0.37815193028517 0.33782584175790 0.38636381574852 79.904 > 49 98 Br 0.87815193028517 0.33782584175790 0.38636381574852 79.904 > 49 99 Br 0.37815193028517 0.83782584175790 0.38636381574852 79.904 > 49 100 Br 0.87815193028517 0.83782584175790 0.38636381574852 79.904 > 49 101 Br 0.37815193028517 0.33782584175790 0.88636381574851 79.904 > 49 102 Br 0.87815193028517 0.33782584175790 0.88636381574851 79.904 > 49 103 Br 0.37815193028517 0.83782584175790 0.88636381574851 79.904 > 49 104 Br 0.87815193028517 0.83782584175790 0.88636381574851 79.904 > 49 105 Br 0.12184806971483 0.33782584175790 0.11363618425149 79.904 > 57 106 Br 0.62184806971483 0.33782584175790 0.11363618425149 79.904 > 57 107 Br 0.12184806971483 0.83782584175790 0.11363618425149 79.904 > 57 108 Br 0.62184806971483 0.83782584175790 0.11363618425149 79.904 > 57 109 Br 0.12184806971483 0.33782584175790 0.61363618425149 79.904 > 57 110 Br 0.62184806971483 0.33782584175790 0.61363618425149 79.904 > 57 111 Br 0.12184806971483 0.83782584175790 0.61363618425149 79.904 > 57 112 Br 0.62184806971483 0.83782584175790 0.61363618425149 79.904 > 57 113 Br 0.37184806971483 0.41217415824210 0.11363618425149 79.904 > 65 114 Br 0.87184806971483 0.41217415824210 0.11363618425149 79.904 > 65 115 Br 0.37184806971483 0.91217415824210 0.11363618425149 79.904 > 65 116 Br 0.87184806971483 0.91217415824210 0.11363618425149 79.904 > 65 117 Br 0.37184806971483 0.41217415824210 0.61363618425149 79.904 > 65 118 Br 0.87184806971483 0.41217415824210 0.61363618425149 79.904 > 65 119 Br 0.37184806971483 0.91217415824210 0.61363618425149 79.904 > 65 120 Br 0.87184806971483 0.91217415824210 0.61363618425149 79.904 > 65 121 Br 0.12815193028517 0.41217415824210 0.38636381574852 79.904 > 73 122 Br 0.62815193028517 0.41217415824210 0.38636381574852 79.904 > 73 123 Br 0.12815193028517 0.91217415824210 0.38636381574852 79.904 > 73 124 Br 0.62815193028517 0.91217415824210 0.38636381574852 79.904 > 73 125 Br 0.12815193028517 0.41217415824210 0.88636381574851 79.904 > 73 126 Br 0.62815193028517 0.41217415824210 0.88636381574851 79.904 > 73 127 Br 0.12815193028517 0.91217415824210 0.88636381574851 79.904 > 73 128 Br 0.62815193028517 0.91217415824210 0.88636381574851 79.904 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.8770041 0.0000000 -0.1469177 0.0000000 7.8531054 0.0000000 -0.1469181 0.0000000 5.0760904 -------------------------- Born effective charges -------------------------- 1 Rh 1.3384712 0.0000000 0.0440247 0.0000000 1.3129120 0.0000000 -0.0199471 0.0000000 0.3236325 2 Rh 1.3384712 0.0000000 0.0440247 0.0000000 1.3129120 0.0000000 -0.0199471 0.0000000 0.3236325 3 Br -0.0493775 0.0000000 -0.7871758 0.0000000 -0.8456859 0.0000000 -0.3644546 0.0000000 -0.2042656 4 Br -0.0493775 0.0000000 -0.7871758 0.0000000 -0.8456859 0.0000000 -0.3644546 0.0000000 -0.2042656 5 Br -0.6445469 -0.3062539 0.3715755 -0.3072066 -0.2336130 -0.6431183 0.1922008 -0.2651839 -0.0596835 6 Br -0.6445469 0.3062539 0.3715755 0.3072066 -0.2336130 0.6431183 0.1922008 0.2651839 -0.0596835 7 Br -0.6445469 -0.3062539 0.3715755 -0.3072066 -0.2336130 -0.6431183 0.1922008 -0.2651839 -0.0596835 8 Br -0.6445469 0.3062539 0.3715755 0.3072066 -0.2336130 0.6431183 0.1922008 0.2651839 -0.0596835 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xyx) -0.00000004 (xyx) -0.00000004 (xxy) 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 ... [ 10 10 8 ] 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: 0.70, Number of G-points: 313, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.123 ( 5.116 -6.004 5.998) 9.909 0.344 ( 15.641 -7.493 3.712) 17.736 0.602 ( 26.208 -17.420 3.187) 31.630 2.182 ( -0.873 0.466 -0.334) 1.045 2.203 ( 0.145 -1.517 0.112) 1.528 2.251 ( 1.302 0.646 1.838) 2.343 2.890 ( -8.907 8.516 0.473) 12.332 3.074 ( -4.469 -0.452 0.204) 4.496 3.245 ( 1.474 -1.732 -1.070) 2.513 3.352 ( 8.214 -3.344 -0.270) 8.873 4.133 ( -4.278 3.652 0.410) 5.640 4.172 ( -1.863 -0.616 -0.054) 1.963 5.197 ( -0.256 -0.221 0.241) 0.416 5.224 ( 1.503 -0.253 0.287) 1.551 5.241 ( 0.344 0.155 -0.550) 0.667 5.254 ( 0.808 -0.677 0.032) 1.055 5.840 ( -0.042 -0.157 -0.396) 0.428 5.970 ( -0.175 0.209 -0.108) 0.294 7.279 ( 1.139 -0.616 0.013) 1.295 7.480 ( 0.747 -0.447 -0.665) 1.096 7.492 ( 1.184 -1.067 0.234) 1.611 7.702 ( -0.547 0.288 -0.327) 0.699 7.780 ( -1.702 0.681 -1.417) 2.317 7.810 ( -0.785 0.712 0.056) 1.062 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 10.396 -7.909 3.991) 13.658 0.662 ( 13.371 -6.969 3.214) 15.417 1.177 ( 24.875 -15.575 2.558) 29.460 2.166 ( -1.357 0.467 -0.429) 1.498 2.208 ( -3.295 -0.927 0.772) 3.509 2.253 ( 1.748 2.665 1.525) 3.533 2.724 ( -3.477 3.463 0.264) 4.915 3.004 ( -4.080 0.765 0.400) 4.170 3.265 ( -0.043 -0.503 -1.015) 1.134 3.454 ( 2.054 0.310 0.064) 2.078 3.991 ( -8.760 3.823 0.581) 9.576 4.156 ( -0.310 -0.306 -0.236) 0.495 5.195 ( -0.505 -0.309 0.372) 0.699 5.241 ( 0.649 0.212 -0.399) 0.790 5.268 ( 2.741 -0.633 0.001) 2.813 5.279 ( 1.258 -0.997 0.036) 1.606 5.841 ( 0.255 -0.229 -0.607) 0.698 5.961 ( -0.502 0.361 -0.170) 0.641 7.311 ( 1.838 -1.069 -0.003) 2.126 7.499 ( 1.311 -0.753 -1.010) 1.818 7.533 ( 1.858 -1.873 0.306) 2.656 7.682 ( -1.425 -0.071 -0.627) 1.558 7.721 ( -3.477 1.874 -0.209) 3.956 7.787 ( -0.856 1.347 -0.078) 1.598 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 12.599 -8.646 2.574) 15.496 0.918 ( 9.633 -5.610 2.409) 11.405 1.693 ( 21.561 -12.537 1.638) 24.995 2.000 ( -12.171 7.531 0.903) 14.341 2.233 ( 4.045 -2.396 -0.424) 4.720 2.299 ( 3.543 -0.985 1.329) 3.910 2.721 ( 2.835 -1.150 0.141) 3.063 2.939 ( -3.432 0.517 0.259) 3.481 3.223 ( -4.087 3.022 -0.444) 5.102 3.403 ( -5.764 3.887 0.123) 6.953 3.819 ( -8.445 2.547 0.369) 8.829 4.172 ( 1.471 -1.085 -0.316) 1.855 5.191 ( -0.563 -0.377 0.337) 0.756 5.249 ( 0.918 0.394 -0.405) 1.078 5.309 ( 1.377 -0.761 0.069) 1.575 5.321 ( 2.713 -1.011 0.127) 2.898 5.848 ( 0.818 -0.208 -0.590) 1.030 5.945 ( -0.982 0.393 -0.140) 1.067 7.354 ( 2.090 -1.280 -0.061) 2.452 7.524 ( 1.420 -0.808 -0.918) 1.874 7.583 ( 1.842 -2.172 0.216) 2.856 7.640 ( -3.826 2.114 -0.056) 4.371 7.654 ( -1.831 -0.055 -0.660) 1.947 7.759 ( -0.884 1.790 0.151) 2.002 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 8.462 -5.638 1.260) 10.246 1.121 ( 9.820 -6.359 1.468) 11.791 1.709 ( -14.376 9.014 0.324) 16.971 2.063 ( 10.908 -6.046 0.648) 12.488 2.348 ( 6.513 -2.327 -0.119) 6.917 2.424 ( 9.497 -5.463 0.995) 11.001 2.804 ( 5.145 -2.136 0.006) 5.571 2.891 ( -2.693 -0.286 0.049) 2.709 3.063 ( -9.540 7.092 0.114) 11.888 3.227 ( -10.331 4.339 0.017) 11.206 3.706 ( -3.686 0.878 0.013) 3.790 4.206 ( 1.370 -0.934 -0.195) 1.669 5.188 ( -0.350 -0.267 0.206) 0.486 5.256 ( 0.596 0.353 -0.212) 0.724 5.334 ( 0.858 -0.512 0.056) 1.001 5.367 ( 1.778 -0.676 0.087) 1.904 5.865 ( 1.304 -0.154 -0.413) 1.376 5.922 ( -1.383 0.299 -0.013) 1.415 7.398 ( 2.026 -1.236 -0.119) 2.377 7.537 ( -0.803 0.459 -0.155) 0.938 7.573 ( -1.256 0.786 -0.281) 1.508 7.619 ( -0.472 -0.242 -0.424) 0.679 7.636 ( 0.365 -1.794 -0.017) 1.831 7.729 ( -0.778 1.836 0.220) 2.006 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 -0.000 0.000) 0.000 1.394 ( -0.000 0.000 -0.000) 0.000 1.396 ( 0.000 -0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 -0.000 0.000) 0.000 2.634 ( 0.000 -0.000 0.000) 0.000 2.816 ( 0.000 -0.000 0.000) 0.000 2.893 ( 0.000 -0.000 -0.000) 0.000 2.916 ( 0.000 -0.000 0.000) 0.000 3.077 ( -0.000 -0.000 0.000) 0.000 3.675 ( 0.000 -0.000 0.000) 0.000 4.222 ( -0.000 -0.000 0.000) 0.000 5.187 ( 0.000 -0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 -0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 -0.000 0.000) 0.000 5.903 ( -0.000 -0.000 0.000) 0.000 7.427 ( -0.000 0.000 0.000) 0.000 7.509 ( 0.000 -0.000 0.000) 0.000 7.573 ( 0.000 -0.000 0.000) 0.000 7.607 ( 0.000 -0.000 0.000) 0.000 7.657 ( 0.000 -0.000 0.000) 0.000 7.711 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 11.409 -0.000 4.714) 12.344 0.618 ( 17.599 -0.000 3.303) 17.906 1.003 ( 28.387 -0.000 3.667) 28.623 2.174 ( 0.576 -0.000 -0.881) 1.052 2.185 ( -2.437 0.000 1.043) 2.650 2.289 ( 1.217 -0.000 1.931) 2.283 2.761 ( -9.066 0.000 0.508) 9.080 3.014 ( -3.485 0.000 0.312) 3.499 3.262 ( 1.846 -0.000 -1.324) 2.272 3.444 ( 3.155 -0.000 -0.009) 3.155 4.037 ( -8.276 0.000 0.418) 8.287 4.149 ( -1.649 0.000 0.216) 1.663 5.190 ( -0.683 0.000 0.212) 0.715 5.247 ( 1.071 -0.000 -1.146) 1.568 5.255 ( 1.812 -0.000 0.768) 1.968 5.274 ( 2.229 -0.000 -0.145) 2.234 5.838 ( 0.295 -0.000 -0.663) 0.726 5.964 ( -0.549 0.000 -0.185) 0.579 7.301 ( 1.899 -0.000 0.015) 1.899 7.493 ( 1.475 -0.000 -1.009) 1.787 7.514 ( 1.899 -0.000 0.384) 1.937 7.680 ( -1.559 0.000 -0.615) 1.676 7.738 ( -3.480 0.000 -0.433) 3.507 7.803 ( -0.810 0.000 0.106) 0.817 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 14.444 -3.304 2.880) 15.094 0.895 ( 15.489 1.466 2.797) 15.808 1.474 ( 22.516 -8.437 2.460) 24.170 2.096 ( -8.726 2.508 0.845) 9.118 2.214 ( 5.025 -0.494 -0.548) 5.079 2.301 ( 0.393 1.046 1.815) 2.131 2.683 ( -1.437 -1.935 0.566) 2.476 2.960 ( -2.738 1.062 0.207) 2.944 3.272 ( 0.399 2.245 -1.009) 2.493 3.407 ( -8.727 -1.804 0.179) 8.913 3.907 ( -5.272 4.737 0.547) 7.109 4.131 ( -1.483 -2.498 0.107) 2.907 5.180 ( -0.909 -0.508 0.083) 1.045 5.261 ( 1.590 0.680 -0.772) 1.894 5.288 ( 1.336 -1.006 0.321) 1.703 5.319 ( 3.166 0.130 0.097) 3.170 5.845 ( 0.872 -0.124 -0.712) 1.133 5.949 ( -1.135 0.117 -0.181) 1.156 7.337 ( 2.222 -0.505 -0.011) 2.279 7.515 ( 1.787 -0.143 -0.918) 2.014 7.552 ( 2.003 -0.985 0.404) 2.269 7.651 ( -1.783 -0.108 -0.566) 1.874 7.669 ( -4.355 0.766 -0.062) 4.422 7.786 ( -0.875 0.881 0.302) 1.278 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 14.016 -4.249 1.486) 14.722 1.102 ( 12.243 3.423 1.984) 12.867 1.825 ( -0.878 -2.776 0.495) 2.953 1.921 ( 1.999 -1.436 0.669) 2.551 2.325 ( 1.027 -4.230 1.231) 4.523 2.350 ( 11.407 1.041 0.225) 11.457 2.728 ( 1.883 -4.444 0.702) 4.878 2.912 ( -1.728 1.678 0.026) 2.409 3.127 ( -15.787 2.018 -0.226) 15.917 3.312 ( -1.772 2.145 0.060) 2.783 3.788 ( -2.677 7.452 0.356) 7.926 4.151 ( -0.828 -4.731 0.192) 4.806 5.173 ( -0.821 -0.994 -0.059) 1.291 5.273 ( 1.168 1.175 -0.172) 1.665 5.318 ( 1.146 -1.136 -0.250) 1.633 5.365 ( 2.571 0.287 0.266) 2.600 5.861 ( 1.328 -0.210 -0.568) 1.460 5.925 ( -1.675 0.072 -0.079) 1.679 7.379 ( 2.265 -0.821 -0.066) 2.410 7.539 ( 0.974 -0.031 -0.348) 1.035 7.591 ( -1.498 -0.012 0.131) 1.504 7.598 ( -0.229 -0.490 0.120) 0.554 7.624 ( -1.461 -0.116 -0.235) 1.484 7.763 ( -0.841 1.510 0.415) 1.777 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.625 1.087 0.269) 7.707 1.286 ( 12.780 -1.538 0.838) 12.899 1.584 ( -11.275 10.903 -0.319) 15.688 2.099 ( 2.590 -6.105 -0.037) 6.632 2.423 ( 3.957 -4.263 1.090) 5.918 2.535 ( 9.264 -4.695 -0.258) 10.389 2.772 ( -12.676 -5.480 -0.365) 13.815 2.851 ( -3.554 0.150 0.321) 3.572 2.886 ( -3.537 -0.347 0.453) 3.583 3.267 ( 4.357 11.544 0.597) 12.353 3.711 ( 0.182 4.070 -0.013) 4.074 4.178 ( -1.704 -4.623 0.410) 4.944 5.171 ( -0.574 -1.305 -0.248) 1.447 5.274 ( 0.411 1.327 0.225) 1.407 5.339 ( 0.544 -0.608 -0.502) 0.958 5.392 ( 1.052 0.656 0.231) 1.261 5.881 ( 0.652 -0.068 -0.211) 0.689 5.899 ( -1.023 -0.307 -0.025) 1.069 7.420 ( 1.716 -0.675 -0.060) 1.845 7.515 ( -2.210 0.491 0.091) 2.266 7.576 ( 0.670 0.321 0.165) 0.761 7.607 ( -0.399 -0.021 0.260) 0.477 7.634 ( 1.069 -1.711 0.151) 2.023 7.736 ( -0.772 1.851 0.358) 2.038 ======================= Grid point 16 (11/227) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -1.631 7.264 -0.962) 7.506 1.304 ( -7.682 11.464 -1.136) 13.847 1.561 ( 14.507 -5.433 0.025) 15.492 2.097 ( -7.142 -0.848 -0.495) 7.209 2.397 ( -9.270 0.970 0.329) 9.327 2.528 ( -7.019 5.843 -0.373) 9.140 2.777 ( 0.685 -12.261 -0.021) 12.280 2.831 ( 2.319 -4.802 -0.410) 5.348 2.910 ( 1.735 -1.819 0.423) 2.549 3.281 ( 8.599 9.091 0.755) 12.536 3.727 ( 5.535 2.218 -0.119) 5.964 4.180 ( -3.062 -3.658 0.602) 4.808 5.175 ( -0.263 -1.369 -0.459) 1.468 5.266 ( -0.133 1.168 0.458) 1.261 5.339 ( -0.449 0.081 -0.582) 0.740 5.387 ( -0.673 1.297 0.139) 1.468 5.867 ( -1.288 0.079 0.292) 1.323 5.913 ( 1.089 -0.648 -0.097) 1.271 7.421 ( -1.345 1.131 0.126) 1.762 7.515 ( 1.634 -1.650 -0.114) 2.325 7.575 ( -0.293 0.755 0.734) 1.093 7.617 ( 0.793 -0.325 0.661) 1.082 7.659 ( 0.483 -0.167 0.184) 0.543 7.713 ( -0.216 0.747 0.139) 0.790 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -9.530 11.010 -2.269) 14.737 1.104 ( -3.648 13.550 -1.568) 14.119 1.822 ( -0.260 -4.250 -1.203) 4.424 1.886 ( -4.481 1.263 -0.373) 4.670 2.285 ( -3.892 -0.806 -0.162) 3.978 2.361 ( -5.364 8.954 -0.208) 10.440 2.723 ( -5.078 -0.238 0.209) 5.088 2.943 ( 2.834 0.167 0.049) 2.839 3.093 ( 8.755 -13.303 -0.971) 15.955 3.336 ( 2.698 0.641 0.831) 2.895 3.831 ( 9.407 2.593 -0.225) 9.761 4.158 ( -3.343 -2.595 0.697) 4.289 5.183 ( 0.022 -1.174 -0.587) 1.313 5.255 ( -0.282 0.959 0.554) 1.143 5.318 ( -1.525 0.483 -0.528) 1.684 5.352 ( -1.600 1.931 0.049) 2.508 5.851 ( -0.682 0.157 0.452) 0.833 5.935 ( 0.755 -0.738 0.069) 1.058 7.381 ( -1.834 1.618 0.097) 2.448 7.543 ( -0.292 0.989 0.853) 1.338 7.593 ( 2.363 -2.416 0.134) 3.382 7.621 ( -0.896 1.169 0.138) 1.479 7.660 ( 1.114 0.890 0.686) 1.582 7.727 ( 1.014 -1.475 0.162) 1.797 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -9.089 12.162 -3.092) 15.495 0.878 ( -7.349 15.035 -2.169) 16.875 1.476 ( -17.349 15.217 -1.268) 23.112 2.094 ( 7.773 -7.800 -0.675) 11.033 2.227 ( -2.917 4.142 -0.106) 5.068 2.255 ( -0.306 0.654 -0.527) 0.894 2.665 ( -2.597 -2.046 0.016) 3.306 2.991 ( 3.008 -0.759 -0.283) 3.115 3.276 ( 4.535 -0.506 0.038) 4.564 3.381 ( -0.001 -7.129 0.148) 7.130 3.945 ( 5.597 -0.835 -0.292) 5.667 4.147 ( -0.094 -1.233 0.552) 1.354 5.191 ( 0.239 -0.757 -0.556) 0.969 5.247 ( 0.013 0.852 0.450) 0.964 5.279 ( -2.324 0.724 -0.304) 2.453 5.309 ( -1.404 1.957 -0.034) 2.408 5.846 ( -0.115 0.301 0.495) 0.590 5.951 ( 0.390 -0.735 0.134) 0.843 7.338 ( -1.665 1.720 0.030) 2.394 7.522 ( -0.799 1.811 1.143) 2.286 7.575 ( -1.690 2.537 -0.240) 3.058 7.670 ( 2.819 -3.259 0.026) 4.309 7.681 ( 1.057 -0.435 0.477) 1.238 7.762 ( 1.399 -1.308 0.490) 1.977 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( -5.155 11.244 -3.263) 12.793 0.591 ( -8.203 16.251 -2.154) 18.331 1.027 ( -13.913 25.612 -1.234) 29.173 2.180 ( -0.537 0.416 -0.063) 0.682 2.206 ( 0.806 -2.636 -0.009) 2.757 2.253 ( 0.658 1.302 -0.886) 1.707 2.713 ( 2.579 -8.553 -0.171) 8.935 3.049 ( 2.554 -2.439 -0.324) 3.547 3.289 ( 0.077 2.437 0.635) 2.519 3.409 ( -1.906 0.868 -0.089) 2.096 4.034 ( 1.923 -6.567 -0.226) 6.847 4.177 ( 2.183 0.152 0.208) 2.198 5.199 ( 0.490 -0.163 -0.405) 0.656 5.235 ( -1.887 0.774 -0.115) 2.043 5.244 ( 0.333 0.726 0.212) 0.826 5.273 ( -1.097 1.386 -0.004) 1.768 5.845 ( 0.111 0.364 0.345) 0.513 5.962 ( 0.147 -0.617 0.096) 0.641 7.300 ( -1.075 1.578 -0.004) 1.909 7.501 ( -0.378 1.771 0.864) 2.006 7.526 ( -1.272 2.447 -0.341) 2.779 7.693 ( 0.028 -0.580 0.162) 0.602 7.742 ( 1.866 -3.262 0.076) 3.759 7.797 ( 1.274 -0.782 0.631) 1.623 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.139 ( -0.000 9.297 0.000) 9.297 0.345 ( -0.000 18.302 0.000) 18.302 0.611 ( -0.000 32.743 0.000) 32.743 2.179 ( 0.000 -0.823 -0.000) 0.823 2.222 ( -0.000 1.231 0.000) 1.231 2.233 ( -0.000 0.745 0.000) 0.745 2.848 ( 0.000 -12.575 -0.000) 12.575 3.106 ( 0.000 -4.055 -0.000) 4.055 3.266 ( -0.000 2.885 0.000) 2.885 3.331 ( -0.000 8.018 0.000) 8.018 4.114 ( 0.000 -6.224 -0.000) 6.224 4.196 ( 0.000 -0.006 -0.000) 0.006 5.204 ( -0.000 0.578 0.000) 0.578 5.211 ( -0.000 0.101 0.000) 0.101 5.243 ( -0.000 0.657 0.000) 0.657 5.253 ( -0.000 0.747 0.000) 0.747 5.844 ( -0.000 0.299 0.000) 0.299 5.968 ( 0.000 -0.428 -0.000) 0.428 7.278 ( -0.000 1.184 0.000) 1.184 7.487 ( -0.000 1.398 0.000) 1.398 7.493 ( -0.000 1.721 0.000) 1.721 7.695 ( 0.000 -0.352 -0.000) 0.352 7.785 ( 0.000 -2.496 -0.000) 2.496 7.818 ( 0.000 -0.549 -0.000) 0.549 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 15.321 -0.000 1.588) 15.403 1.160 ( 13.990 -0.000 2.019) 14.135 1.726 ( 12.992 -0.000 1.184) 13.046 1.963 ( -9.424 0.000 0.159) 9.425 2.276 ( -1.748 0.000 0.842) 1.940 2.368 ( 11.448 -0.000 0.803) 11.476 2.681 ( 1.635 -0.000 0.911) 1.871 2.930 ( -1.971 0.000 0.009) 1.971 3.148 ( -19.903 0.000 0.250) 19.904 3.323 ( 4.057 -0.000 -0.617) 4.103 3.892 ( -1.971 0.000 0.679) 2.084 4.079 ( -2.644 0.000 0.320) 2.664 5.162 ( -0.896 0.000 -0.110) 0.903 5.291 ( 2.026 -0.000 -1.106) 2.308 5.301 ( 0.612 -0.000 0.631) 0.879 5.369 ( 2.793 -0.000 0.205) 2.800 5.859 ( 1.327 -0.000 -0.644) 1.475 5.926 ( -1.782 0.000 -0.100) 1.784 7.371 ( 2.324 -0.000 -0.036) 2.324 7.539 ( 1.320 -0.000 -0.408) 1.381 7.580 ( 1.606 -0.000 0.457) 1.670 7.604 ( -3.698 0.000 -0.020) 3.698 7.623 ( -1.410 0.000 -0.135) 1.417 7.778 ( -0.884 0.000 0.469) 1.001 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 13.045 -0.860 0.444) 13.081 1.327 ( 7.948 3.373 0.694) 8.662 1.779 ( -3.925 9.986 -0.148) 10.730 1.959 ( 7.356 -8.695 0.185) 11.391 2.260 ( -2.667 -7.039 0.856) 7.576 2.558 ( 10.025 2.659 0.306) 10.376 2.691 ( -8.524 -3.112 0.123) 9.075 2.844 ( -11.425 -0.583 1.076) 11.491 2.893 ( -2.573 0.543 -0.053) 2.630 3.410 ( 8.685 3.668 0.105) 9.428 3.818 ( -3.000 6.192 0.529) 6.900 4.071 ( -2.583 -5.735 0.622) 6.321 5.152 ( -0.680 -0.649 -0.278) 0.980 5.299 ( 0.361 1.234 0.229) 1.306 5.323 ( 1.014 -1.022 -0.576) 1.551 5.404 ( 1.591 0.448 0.145) 1.659 5.878 ( 1.279 -0.124 -0.434) 1.356 5.895 ( -1.863 -0.110 0.041) 1.866 7.409 ( 2.208 -0.365 -0.074) 2.239 7.522 ( -2.875 0.241 0.128) 2.888 7.584 ( 1.164 0.491 0.223) 1.283 7.606 ( -0.625 -0.060 0.407) 0.748 7.608 ( 1.078 -0.972 0.391) 1.503 7.762 ( -0.836 0.824 0.488) 1.271 ======================= Grid point 25 (18/227) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 4.317 5.368 -0.712) 6.926 1.380 ( 0.071 -2.287 -1.425) 2.696 1.662 ( 6.711 15.255 0.504) 16.673 2.072 ( -1.288 -1.406 -0.082) 1.909 2.374 ( -14.197 -3.247 0.333) 14.567 2.422 ( 0.105 -18.137 -0.420) 18.142 2.650 ( 2.395 4.748 0.121) 5.320 2.831 ( -3.284 0.827 -0.158) 3.390 2.865 ( 2.123 -3.018 1.245) 3.895 3.484 ( 6.361 11.160 0.772) 12.869 3.764 ( 3.095 1.355 0.006) 3.379 4.085 ( -3.226 -6.018 0.851) 6.880 5.150 ( -0.321 -1.161 -0.456) 1.288 5.289 ( -0.341 1.158 0.526) 1.317 5.336 ( 0.099 -0.420 -0.681) 0.806 5.410 ( 0.039 1.107 0.005) 1.107 5.868 ( -1.309 0.052 0.238) 1.331 5.901 ( 0.954 -0.606 -0.215) 1.150 7.437 ( 0.424 0.525 0.021) 0.675 7.489 ( -0.526 -1.002 -0.020) 1.132 7.593 ( 0.330 1.144 0.921) 1.505 7.610 ( 0.386 -0.351 0.637) 0.824 7.640 ( 1.356 -1.337 0.560) 1.985 7.741 ( -0.833 1.470 0.370) 1.729 ======================= Grid point 26 (19/227) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.329 10.745 -2.123) 12.650 1.340 ( -1.231 8.515 -1.700) 8.770 1.744 ( 10.452 1.186 -0.029) 10.520 1.930 ( -13.085 2.323 -0.159) 13.291 2.222 ( -4.387 -5.123 -0.310) 6.752 2.555 ( -3.076 10.140 0.528) 10.609 2.695 ( 0.873 -8.178 0.159) 8.226 2.812 ( 4.744 -9.914 -0.768) 11.017 2.930 ( 2.132 -1.998 0.549) 2.973 3.426 ( -0.722 7.981 0.696) 8.044 3.866 ( 7.163 0.045 0.036) 7.163 4.090 ( -1.756 -3.937 0.777) 4.381 5.158 ( 0.140 -1.348 -0.565) 1.468 5.275 ( -0.353 1.079 0.628) 1.297 5.325 ( -1.110 0.238 -0.638) 1.302 5.387 ( -1.105 1.754 -0.104) 2.076 5.854 ( -0.465 0.161 0.376) 0.619 5.919 ( 0.556 -0.877 -0.016) 1.038 7.411 ( -1.408 1.671 0.092) 2.187 7.525 ( 1.998 -2.500 -0.126) 3.203 7.588 ( -0.020 1.570 1.272) 2.021 7.622 ( 0.043 -0.578 0.396) 0.702 7.677 ( 1.474 -0.225 0.934) 1.759 7.717 ( -0.401 0.882 0.221) 0.994 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -7.650 13.216 -2.649) 15.498 1.153 ( -7.968 13.241 -1.765) 15.554 1.711 ( -5.496 10.848 -0.232) 12.163 1.925 ( 5.280 -9.706 -0.438) 11.058 2.238 ( 1.313 -1.765 -0.550) 2.268 2.372 ( -5.991 10.518 0.522) 12.116 2.665 ( -2.412 1.750 0.040) 2.980 2.972 ( 1.440 -1.444 0.101) 2.042 3.101 ( 9.706 -15.875 -0.861) 18.627 3.357 ( -1.883 2.851 0.598) 3.468 3.922 ( -2.046 -2.993 0.519) 3.663 4.132 ( 4.409 0.342 0.195) 4.427 5.173 ( 0.631 -1.106 -0.520) 1.376 5.266 ( 0.164 1.130 0.513) 1.252 5.292 ( -2.015 0.671 -0.485) 2.178 5.347 ( -1.456 2.101 -0.133) 2.560 5.852 ( 0.130 0.370 0.409) 0.567 5.934 ( 0.269 -1.021 0.089) 1.060 7.372 ( -1.353 2.022 0.042) 2.433 7.560 ( 0.256 1.658 0.944) 1.925 7.599 ( 0.957 -1.993 0.175) 2.218 7.619 ( -0.216 0.009 0.039) 0.220 7.683 ( 0.255 0.942 0.364) 1.042 7.738 ( 1.550 -1.400 0.813) 2.241 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -5.031 13.947 -2.250) 14.996 0.876 ( -8.431 13.908 -1.358) 16.320 1.487 ( -3.427 23.583 -0.325) 23.832 2.079 ( 1.840 -10.717 -0.404) 10.881 2.226 ( -1.765 4.538 0.353) 4.882 2.269 ( 0.309 0.541 -0.475) 0.784 2.633 ( 0.176 0.158 -0.053) 0.242 3.004 ( 0.599 -2.269 -0.139) 2.351 3.311 ( -1.633 -3.118 0.506) 3.556 3.352 ( 6.195 -4.504 -0.622) 7.684 3.910 ( -3.616 -6.674 0.456) 7.604 4.192 ( 3.472 1.674 -0.012) 3.854 5.192 ( 1.112 -0.504 -0.348) 1.270 5.249 ( -2.142 0.731 -0.132) 2.267 5.266 ( 0.737 1.292 0.137) 1.493 5.305 ( -1.379 1.988 -0.065) 2.420 5.853 ( 0.236 0.489 0.286) 0.614 5.947 ( 0.115 -0.974 0.080) 0.984 7.334 ( -0.924 2.134 0.006) 2.326 7.543 ( 0.032 2.678 0.968) 2.848 7.575 ( -1.149 2.531 -0.344) 2.801 7.669 ( 1.345 -4.032 -0.027) 4.251 7.685 ( 0.120 -0.503 0.114) 0.530 7.778 ( 1.293 -1.263 0.672) 1.929 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -0.000 13.157 0.000) 13.157 0.661 ( -0.000 15.694 0.000) 15.694 1.194 ( -0.000 30.312 0.000) 30.312 2.154 ( 0.000 -3.473 -0.000) 3.473 2.216 ( 0.000 -1.657 -0.000) 1.657 2.253 ( -0.000 1.390 0.000) 1.390 2.665 ( 0.000 -5.492 -0.000) 5.492 3.035 ( 0.000 -3.442 -0.000) 3.442 3.301 ( -0.000 0.580 0.000) 0.580 3.418 ( -0.000 0.813 0.000) 0.813 3.962 ( 0.000 -9.509 -0.000) 9.509 4.206 ( -0.000 1.237 0.000) 1.237 5.212 ( 0.000 -0.007 -0.000) 0.007 5.214 ( -0.000 0.555 0.000) 0.555 5.267 ( -0.000 1.926 0.000) 1.926 5.270 ( -0.000 1.043 0.000) 1.043 5.851 ( -0.000 0.471 0.000) 0.471 5.957 ( 0.000 -0.820 -0.000) 0.820 7.307 ( -0.000 1.963 0.000) 1.963 7.523 ( -0.000 2.520 0.000) 2.520 7.536 ( -0.000 2.760 0.000) 2.760 7.687 ( 0.000 -0.520 -0.000) 0.520 7.722 ( 0.000 -4.104 -0.000) 4.104 7.803 ( 0.000 -1.088 -0.000) 1.088 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 10.272 -0.000 -0.337) 10.277 1.354 ( -4.289 0.000 -1.712) 4.618 1.919 ( 9.358 -0.000 0.569) 9.376 2.026 ( 7.960 -0.000 -0.220) 7.963 2.161 ( -3.064 0.000 0.376) 3.087 2.353 ( -23.362 0.000 -0.092) 23.362 2.709 ( 5.488 -0.000 -0.002) 5.488 2.822 ( 1.904 -0.000 1.645) 2.516 2.842 ( -3.935 0.000 -0.153) 3.938 3.613 ( 12.464 -0.000 0.496) 12.473 3.772 ( -6.760 0.000 0.568) 6.784 4.011 ( -1.019 0.000 0.784) 1.285 5.139 ( -0.294 0.000 -0.438) 0.528 5.302 ( -0.753 0.000 0.656) 0.998 5.329 ( 0.618 -0.000 -0.782) 0.997 5.421 ( 0.256 -0.000 -0.087) 0.271 5.868 ( -1.323 0.000 0.226) 1.342 5.894 ( 0.930 -0.000 -0.269) 0.968 7.441 ( 2.015 -0.000 -0.101) 2.017 7.480 ( -2.304 0.000 0.112) 2.307 7.606 ( 0.091 -0.000 0.740) 0.746 7.616 ( 0.478 -0.000 0.688) 0.838 7.617 ( 1.741 -0.000 0.898) 1.960 7.755 ( -0.861 0.000 0.439) 0.967 ======================= Grid point 35 (24/227) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -4.364 8.476 -2.309) 9.809 1.343 ( 2.610 -5.257 -1.505) 6.059 1.891 ( -8.986 7.698 -0.450) 11.841 2.015 ( -2.895 8.985 0.328) 9.446 2.136 ( 1.981 -1.640 0.170) 2.577 2.372 ( 10.656 -19.474 0.128) 22.199 2.708 ( -3.137 4.897 0.459) 5.834 2.789 ( -0.838 1.489 -0.443) 1.765 2.879 ( 2.045 -3.050 1.134) 3.843 3.592 ( -6.293 8.642 0.575) 10.706 3.804 ( 2.403 -5.992 0.868) 6.514 4.047 ( 4.799 -0.714 0.313) 4.862 5.139 ( 0.326 -0.579 -0.523) 0.846 5.291 ( -0.620 0.502 0.711) 1.068 5.326 ( -0.733 -0.070 -0.639) 0.975 5.412 ( -0.861 0.752 -0.256) 1.171 5.857 ( -0.233 0.105 0.356) 0.438 5.906 ( 0.401 -0.430 -0.084) 0.593 7.442 ( -0.927 1.598 0.059) 1.849 7.482 ( 1.306 -2.006 -0.098) 2.396 7.612 ( -0.021 -0.326 0.289) 0.436 7.620 ( 0.735 1.638 1.416) 2.286 7.657 ( 1.600 -1.366 1.260) 2.453 7.739 ( -0.908 0.820 0.300) 1.260 ======================= Grid point 36 (25/227) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -6.469 10.775 -2.755) 12.866 1.321 ( -7.470 5.012 -1.507) 9.121 1.726 ( -5.884 -8.878 -0.061) 10.651 1.944 ( 3.893 11.507 -0.171) 12.149 2.223 ( 6.910 1.829 -0.021) 7.148 2.556 ( -7.312 7.126 0.544) 10.224 2.689 ( 5.403 -3.815 0.348) 6.623 2.808 ( 6.590 -9.632 -0.695) 11.692 2.938 ( 1.182 -2.722 0.487) 3.007 3.422 ( -7.017 3.765 0.277) 7.968 3.835 ( -4.746 -5.464 1.174) 7.333 4.155 ( 7.593 1.467 -0.155) 7.735 5.154 ( 1.064 -0.812 -0.466) 1.417 5.284 ( 0.146 0.736 0.615) 0.970 5.301 ( -1.921 0.239 -0.512) 2.003 5.381 ( -1.349 1.465 -0.269) 2.010 5.859 ( 0.450 0.417 0.375) 0.719 5.916 ( 0.126 -0.903 0.044) 0.913 7.411 ( -0.870 2.105 0.040) 2.278 7.527 ( 1.473 -3.037 -0.117) 3.377 7.610 ( -0.174 0.734 0.611) 0.971 7.622 ( 0.359 1.292 0.872) 1.599 7.702 ( 1.313 -0.725 1.072) 1.843 7.718 ( -0.454 0.478 0.288) 0.720 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -4.674 13.066 -2.015) 14.023 1.089 ( -8.936 9.565 -0.893) 13.121 1.808 ( 2.540 -7.401 -0.040) 7.825 1.894 ( 1.839 9.455 -0.344) 9.639 2.290 ( 3.485 2.779 -0.086) 4.458 2.359 ( -6.225 9.153 0.346) 11.074 2.686 ( 0.719 4.618 -0.024) 4.674 2.967 ( 0.008 -1.886 0.132) 1.891 3.104 ( 8.930 -14.945 -0.327) 17.413 3.324 ( -3.899 -2.156 -0.038) 4.456 3.798 ( -5.608 -5.052 0.863) 7.598 4.232 ( 4.149 2.332 -0.149) 4.761 5.182 ( 1.685 -0.613 -0.266) 1.813 5.260 ( -2.408 0.434 -0.295) 2.465 5.287 ( 0.790 0.978 0.319) 1.297 5.343 ( -1.290 1.973 -0.161) 2.363 5.863 ( 0.404 0.640 0.249) 0.797 5.927 ( 0.084 -1.128 0.065) 1.133 7.377 ( -0.651 2.479 0.013) 2.563 7.576 ( 0.937 -2.263 -0.022) 2.450 7.602 ( 0.112 1.308 0.932) 1.610 7.614 ( -0.335 0.463 -0.155) 0.592 7.692 ( -0.246 1.193 0.056) 1.219 7.750 ( 1.081 -1.834 0.738) 2.253 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.000 14.309 0.000) 14.309 0.911 ( -0.000 11.475 0.000) 11.475 1.709 ( -0.000 25.031 0.000) 25.031 1.972 ( 0.000 -14.584 -0.000) 14.584 2.242 ( -0.000 4.284 0.000) 4.284 2.290 ( -0.000 3.122 0.000) 3.122 2.657 ( -0.000 3.234 0.000) 3.234 2.983 ( 0.000 -2.246 -0.000) 2.246 3.263 ( 0.000 -5.526 -0.000) 5.526 3.357 ( 0.000 -7.046 -0.000) 7.046 3.800 ( 0.000 -7.052 -0.000) 7.052 4.242 ( -0.000 2.502 0.000) 2.502 5.209 ( 0.000 -0.357 -0.000) 0.357 5.224 ( -0.000 0.522 0.000) 0.522 5.289 ( -0.000 0.987 0.000) 0.987 5.308 ( -0.000 2.379 0.000) 2.379 5.861 ( -0.000 0.631 0.000) 0.631 5.939 ( 0.000 -1.099 -0.000) 1.099 7.348 ( -0.000 2.455 0.000) 2.455 7.576 ( -0.000 3.157 0.000) 3.157 7.582 ( -0.000 1.689 0.000) 1.689 7.640 ( 0.000 -4.289 -0.000) 4.289 7.684 ( -0.000 0.271 0.000) 0.271 7.778 ( 0.000 -1.651 -0.000) 1.651 ======================= Grid point 45 (28/227) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -7.571 0.000 -3.335) 8.273 1.363 ( 1.978 -0.000 -0.664) 2.086 1.624 ( -16.323 0.000 -0.208) 16.324 2.058 ( 1.387 -0.000 -0.541) 1.489 2.368 ( 8.092 -0.000 -0.237) 8.096 2.427 ( 16.539 -0.000 0.919) 16.565 2.646 ( -5.512 0.000 0.354) 5.524 2.817 ( 1.242 -0.000 -0.710) 1.430 2.891 ( 1.095 -0.000 1.261) 1.670 3.466 ( -12.460 0.000 0.103) 12.461 3.772 ( -2.586 0.000 1.448) 2.964 4.170 ( 8.093 -0.000 -0.221) 8.096 5.146 ( 1.228 -0.000 -0.445) 1.306 5.291 ( 0.087 -0.000 0.670) 0.676 5.303 ( -1.850 0.000 -0.507) 1.919 5.396 ( -1.296 0.000 -0.330) 1.338 5.864 ( 0.679 -0.000 0.376) 0.776 5.906 ( -0.015 0.000 0.015) 0.021 7.439 ( -0.552 0.000 0.033) 0.553 7.490 ( 1.041 -0.000 -0.071) 1.043 7.609 ( -0.163 0.000 0.075) 0.179 7.655 ( 1.128 -0.000 1.408) 1.804 7.676 ( 1.109 -0.000 1.291) 1.702 7.730 ( -0.854 0.000 0.180) 0.873 ======================= Grid point 47 (29/227) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -5.883 5.044 -2.247) 8.068 1.274 ( -5.260 11.846 -0.353) 12.966 1.541 ( -3.079 -15.077 -0.139) 15.389 2.081 ( 4.021 4.559 -0.568) 6.105 2.397 ( 2.812 7.015 0.278) 7.562 2.529 ( -1.521 9.379 0.248) 9.505 2.767 ( 7.348 -2.061 0.218) 7.635 2.831 ( 6.518 -8.003 -0.387) 10.328 2.927 ( 0.632 -2.553 0.690) 2.719 3.265 ( -12.621 -3.010 -0.194) 12.976 3.737 ( -3.203 -1.495 0.933) 3.656 4.265 ( 4.252 0.993 -0.187) 4.370 5.172 ( 1.961 -0.307 -0.232) 1.998 5.264 ( -2.470 0.103 -0.319) 2.493 5.300 ( 0.710 0.372 0.405) 0.898 5.370 ( -1.159 0.836 -0.223) 1.446 5.875 ( 0.629 0.537 0.239) 0.861 5.909 ( -0.034 -0.737 0.048) 0.740 7.422 ( -0.285 2.098 0.012) 2.117 7.516 ( 0.586 -2.697 -0.040) 2.760 7.608 ( -0.127 -0.140 0.026) 0.191 7.658 ( 0.533 2.742 0.838) 2.916 7.711 ( 0.810 -2.093 0.745) 2.365 7.715 ( -0.525 0.628 0.110) 0.826 ======================= Grid point 48 (30/227) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 9.185 0.000) 9.185 1.109 ( -0.000 11.591 0.000) 11.591 1.675 ( 0.000 -16.925 -0.000) 16.925 2.057 ( -0.000 10.817 0.000) 10.817 2.346 ( -0.000 5.884 0.000) 5.884 2.414 ( -0.000 11.912 0.000) 11.912 2.745 ( -0.000 5.952 0.000) 5.952 2.949 ( 0.000 -1.771 -0.000) 1.771 3.091 ( 0.000 -12.111 -0.000) 12.111 3.186 ( 0.000 -10.506 -0.000) 10.506 3.722 ( 0.000 -1.795 -0.000) 1.795 4.285 ( -0.000 1.847 0.000) 1.847 5.201 ( 0.000 -0.468 -0.000) 0.468 5.232 ( -0.000 0.286 0.000) 0.286 5.304 ( -0.000 0.625 0.000) 0.625 5.347 ( -0.000 1.640 0.000) 1.640 5.875 ( -0.000 0.766 0.000) 0.766 5.918 ( 0.000 -1.091 -0.000) 1.091 7.396 ( -0.000 2.693 0.000) 2.693 7.552 ( 0.000 -3.785 -0.000) 3.785 7.607 ( 0.000 -0.032 -0.000) 0.032 7.636 ( -0.000 3.212 0.000) 3.212 7.701 ( -0.000 1.221 0.000) 1.221 7.742 ( 0.000 -2.244 -0.000) 2.244 ======================= Grid point 58 (31/227) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -0.000 0.000 0.000) 0.000 1.366 ( -0.000 0.000 0.000) 0.000 1.369 ( 0.000 -0.000 -0.000) 0.000 2.138 ( -0.000 0.000 0.000) 0.000 2.409 ( -0.000 0.000 0.000) 0.000 2.617 ( -0.000 0.000 0.000) 0.000 2.834 ( -0.000 0.000 0.000) 0.000 2.868 ( -0.000 0.000 0.000) 0.000 2.967 ( -0.000 0.000 0.000) 0.000 3.048 ( 0.000 -0.000 -0.000) 0.000 3.710 ( -0.000 0.000 0.000) 0.000 4.303 ( -0.000 0.000 0.000) 0.000 5.196 ( -0.000 0.000 0.000) 0.000 5.235 ( -0.000 0.000 0.000) 0.000 5.310 ( -0.000 0.000 0.000) 0.000 5.363 ( -0.000 0.000 0.000) 0.000 5.885 ( 0.000 -0.000 -0.000) 0.000 5.904 ( -0.000 0.000 0.000) 0.000 7.432 ( -0.000 0.000 0.000) 0.000 7.505 ( -0.000 0.000 0.000) 0.000 7.606 ( -0.000 0.000 0.000) 0.000 7.685 ( -0.000 0.000 0.000) 0.000 7.702 ( -0.000 0.000 0.000) 0.000 7.714 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.140 ( 7.935 -0.000 6.478) 10.243 0.160 ( 12.644 -0.000 7.448) 14.674 0.324 ( -1.336 0.000 15.031) 15.090 2.193 ( 0.615 -0.000 0.355) 0.710 2.204 ( -0.743 0.000 -1.375) 1.564 2.283 ( 0.807 -0.000 1.175) 1.426 3.037 ( 1.522 -0.000 0.738) 1.692 3.095 ( 3.086 -0.000 -0.383) 3.109 3.196 ( -2.637 0.000 0.093) 2.639 3.213 ( -1.181 0.000 -0.719) 1.383 4.174 ( 0.142 -0.000 0.118) 0.184 4.196 ( 0.362 -0.000 -0.138) 0.387 5.197 ( 0.160 -0.000 0.034) 0.163 5.203 ( 0.443 -0.000 -0.541) 0.699 5.242 ( 0.350 -0.000 0.161) 0.386 5.248 ( -0.963 0.000 0.494) 1.082 5.841 ( -0.518 0.000 0.040) 0.520 5.967 ( 0.014 -0.000 -0.489) 0.489 7.266 ( 0.027 -0.000 -0.021) 0.035 7.472 ( -0.752 0.000 -0.159) 0.769 7.477 ( 0.288 -0.000 -0.013) 0.288 7.706 ( -0.072 0.000 0.652) 0.656 7.710 ( -0.457 0.000 -0.150) 0.481 7.825 ( 0.188 -0.000 0.219) 0.289 ======================= Grid point 106 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -0.170 -2.271 12.581) 12.785 0.431 ( 14.312 -6.726 4.433) 16.423 0.680 ( 25.848 -14.114 3.946) 29.713 2.176 ( -1.467 0.183 -0.375) 1.525 2.213 ( 0.794 -1.105 0.610) 1.491 2.291 ( 0.886 1.179 1.578) 2.160 2.897 ( -9.044 8.631 0.196) 12.503 3.064 ( -2.854 -0.785 -0.433) 2.992 3.219 ( 1.258 -2.015 -1.292) 2.704 3.348 ( 8.326 -3.754 -0.098) 9.134 4.140 ( -4.043 3.478 0.179) 5.336 4.172 ( -1.595 -0.086 0.043) 1.598 5.202 ( 0.013 -0.364 0.157) 0.397 5.224 ( 2.178 -0.232 -0.235) 2.203 5.235 ( -0.870 -0.195 0.005) 0.891 5.257 ( 0.911 -0.631 0.111) 1.114 5.834 ( -0.469 -0.212 -0.222) 0.561 5.962 ( -0.126 0.199 -0.552) 0.600 7.279 ( 1.150 -0.615 -0.014) 1.304 7.468 ( 0.324 -0.363 -0.449) 0.662 7.496 ( 1.404 -1.027 0.143) 1.745 7.696 ( -1.187 -0.079 -0.267) 1.220 7.742 ( 1.142 -0.486 -1.190) 1.719 7.808 ( -1.248 1.288 0.083) 1.795 ======================= Grid point 107 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 5.094 -5.339 8.751) 11.447 0.731 ( 12.788 -6.165 3.136) 14.538 1.230 ( 24.433 -14.050 2.266) 28.275 2.159 ( -0.741 0.569 -0.178) 0.951 2.224 ( -3.414 -1.573 0.595) 3.806 2.284 ( 1.177 3.425 1.273) 3.839 2.724 ( -3.449 3.980 -0.298) 5.275 3.004 ( -3.724 0.831 -0.323) 3.829 3.246 ( 0.218 -1.179 -0.749) 1.414 3.455 ( 2.128 0.070 0.070) 2.131 3.999 ( -8.510 4.107 0.179) 9.451 4.156 ( -0.196 0.143 0.169) 0.296 5.203 ( -0.610 -0.491 0.354) 0.860 5.229 ( 0.279 -0.120 -0.476) 0.564 5.270 ( 3.083 -0.475 0.079) 3.120 5.282 ( 1.098 -1.102 0.111) 1.559 5.831 ( 0.026 -0.366 -0.309) 0.480 5.953 ( -0.369 0.327 -0.526) 0.721 7.311 ( 1.808 -1.052 -0.033) 2.092 7.484 ( 1.280 -0.708 -0.281) 1.489 7.537 ( 2.001 -1.602 0.146) 2.568 7.671 ( -1.625 0.017 -0.384) 1.669 7.718 ( -2.897 1.413 0.008) 3.223 7.779 ( -0.362 1.662 -0.523) 1.780 ======================= Grid point 108 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 9.326 -7.404 4.542) 12.744 0.968 ( 8.986 -4.707 2.271) 10.395 1.722 ( 20.604 -11.776 1.043) 23.754 2.011 ( -12.281 7.312 0.060) 14.293 2.232 ( 3.840 -2.040 0.274) 4.357 2.321 ( 3.561 -0.819 0.688) 3.718 2.716 ( 3.290 -0.403 -0.583) 3.366 2.938 ( -3.317 0.640 -0.350) 3.396 3.218 ( -3.945 1.903 -0.033) 4.380 3.405 ( -5.656 4.225 0.045) 7.060 3.823 ( -8.397 3.052 0.065) 8.935 4.173 ( 1.669 -0.703 0.383) 1.852 5.197 ( -0.945 -0.713 0.180) 1.198 5.239 ( 1.180 0.379 -0.469) 1.325 5.309 ( 1.052 -1.103 -0.092) 1.527 5.326 ( 2.859 -0.702 0.240) 2.954 5.839 ( 0.755 -0.381 -0.246) 0.881 5.939 ( -0.745 0.322 -0.376) 0.895 7.352 ( 2.044 -1.254 -0.064) 2.399 7.516 ( 1.728 -0.757 0.218) 1.899 7.586 ( 1.929 -1.739 0.021) 2.598 7.640 ( -2.531 1.090 0.077) 2.757 7.648 ( -2.887 1.158 0.082) 3.112 7.755 ( -0.418 1.910 -0.508) 2.020 ======================= Grid point 109 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 6.483 -5.039 1.898) 8.427 1.151 ( 8.928 -5.514 1.321) 10.576 1.708 ( -15.031 8.836 -0.376) 17.440 2.067 ( 9.749 -5.841 -0.239) 11.368 2.350 ( 7.518 -1.208 0.372) 7.624 2.438 ( 8.615 -6.006 0.293) 10.506 2.796 ( 5.728 -1.321 -0.725) 5.922 2.886 ( -2.617 0.260 -0.471) 2.671 3.067 ( -10.411 5.402 0.264) 11.732 3.228 ( -9.398 5.795 0.090) 11.041 3.707 ( -3.697 0.941 0.072) 3.816 4.211 ( 1.624 -0.515 0.616) 1.811 5.189 ( -0.756 -0.614 -0.085) 0.977 5.251 ( 1.050 0.589 -0.288) 1.238 5.331 ( 0.485 -1.057 -0.322) 1.207 5.371 ( 1.834 -0.320 0.216) 1.875 5.858 ( 1.338 -0.302 -0.160) 1.381 5.921 ( -1.098 0.187 -0.109) 1.119 7.397 ( 2.033 -1.229 -0.052) 2.376 7.541 ( -0.565 0.458 0.461) 0.861 7.579 ( -1.128 0.898 0.807) 1.653 7.619 ( -0.400 0.251 0.457) 0.657 7.631 ( 0.913 -1.503 -0.424) 1.809 7.726 ( -0.571 1.984 -0.534) 2.132 ======================= Grid point 110 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -1.402 0.378 0.714) 1.619 1.380 ( -13.743 8.243 -0.882) 16.050 1.402 ( 12.091 -7.654 0.201) 14.311 2.151 ( -0.413 -0.238 -1.041) 1.145 2.424 ( 0.426 1.148 0.347) 1.273 2.634 ( -1.626 0.159 -0.035) 1.634 2.806 ( 0.236 -0.850 -0.887) 1.251 2.886 ( 1.173 0.989 -0.876) 1.766 2.915 ( -1.225 -1.293 0.090) 1.784 3.082 ( 1.025 2.108 0.426) 2.382 3.678 ( -0.071 -0.176 0.225) 0.294 4.231 ( 0.244 0.442 0.796) 0.943 5.184 ( -0.382 -0.370 -0.316) 0.619 5.258 ( 0.483 0.358 -0.108) 0.611 5.339 ( -0.319 -0.644 -0.468) 0.857 5.388 ( 0.069 0.340 0.179) 0.390 5.880 ( 0.686 -0.176 -0.065) 0.711 5.905 ( -0.338 -0.071 0.143) 0.374 7.428 ( 0.239 -0.084 0.065) 0.262 7.511 ( -0.328 0.100 0.165) 0.380 7.591 ( 0.259 0.189 1.664) 1.694 7.615 ( 0.648 0.274 0.702) 0.994 7.652 ( 0.175 0.072 -0.441) 0.480 7.703 ( 0.096 0.486 -0.727) 0.880 ======================= Grid point 111 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -9.862 5.630 0.102) 11.357 1.097 ( -10.465 6.763 -0.772) 12.484 1.696 ( 13.823 -8.720 -0.802) 16.363 2.044 ( -11.420 5.837 -1.053) 12.869 2.354 ( -5.131 3.868 0.486) 6.444 2.402 ( -10.715 5.156 -1.029) 11.935 2.795 ( -4.559 2.893 -0.826) 5.462 2.884 ( 2.624 0.213 -0.518) 2.683 3.062 ( 8.725 -8.970 0.028) 12.514 3.228 ( 11.110 -2.577 0.110) 11.406 3.706 ( 3.227 -0.910 0.061) 3.354 4.218 ( -1.190 1.374 0.889) 2.024 5.181 ( 0.040 -0.174 -0.407) 0.444 5.258 ( -0.152 0.032 -0.021) 0.157 5.329 ( -1.085 -0.204 -0.439) 1.187 5.369 ( -1.655 1.017 0.235) 1.956 5.873 ( -1.030 -0.004 0.395) 1.103 5.921 ( 1.393 -0.364 -0.070) 1.441 7.401 ( -2.046 1.308 0.103) 2.430 7.544 ( 2.053 -1.155 0.318) 2.377 7.593 ( 0.058 0.071 1.545) 1.548 7.625 ( -1.389 1.787 -0.284) 2.281 7.641 ( 1.748 0.418 0.853) 1.989 7.718 ( 1.185 -1.397 -0.799) 1.999 ======================= Grid point 112 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -13.351 7.908 1.250) 15.568 0.880 ( -10.492 6.387 -1.037) 12.327 1.663 ( -22.165 13.253 -1.095) 25.848 1.978 ( 12.173 -7.207 -1.169) 14.195 2.246 ( -3.791 2.773 0.580) 4.732 2.273 ( -3.256 1.086 -0.912) 3.551 2.710 ( -2.467 1.491 -0.811) 2.995 2.928 ( 3.194 -0.553 -0.757) 3.329 3.234 ( 4.267 -4.092 0.520) 5.935 3.400 ( 5.957 -3.277 -0.108) 6.799 3.810 ( 7.896 -2.527 -0.466) 8.304 4.184 ( -1.436 1.588 0.824) 2.294 5.184 ( 0.315 -0.092 -0.352) 0.482 5.252 ( -0.596 -0.059 -0.064) 0.603 5.306 ( -1.672 -0.064 -0.265) 1.694 5.325 ( -2.378 1.429 0.440) 2.809 5.861 ( -0.762 0.079 0.586) 0.964 5.945 ( 1.042 -0.437 -0.175) 1.143 7.355 ( -2.129 1.361 0.021) 2.527 7.549 ( -1.341 0.876 1.359) 2.101 7.577 ( -1.899 2.088 -0.386) 2.848 7.644 ( 3.644 -2.174 0.368) 4.260 7.671 ( 1.613 0.135 0.905) 1.855 7.749 ( 1.443 -1.314 -0.800) 2.110 ======================= Grid point 113 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -9.833 5.890 5.968) 12.923 0.614 ( -13.923 7.681 -1.143) 15.943 1.137 ( -24.915 16.937 -1.125) 30.147 2.164 ( 5.124 -0.869 -0.694) 5.244 2.205 ( 0.032 -0.719 0.319) 0.787 2.231 ( -1.336 -0.214 -0.221) 1.371 2.714 ( 3.713 -3.222 -0.689) 4.964 2.986 ( 3.813 -0.727 -1.240) 4.075 3.283 ( -0.055 0.093 0.617) 0.627 3.453 ( -1.738 -0.353 -0.008) 1.774 3.977 ( 8.597 -4.182 -0.676) 9.584 4.164 ( 0.201 0.948 0.516) 1.098 5.189 ( 0.339 -0.097 -0.244) 0.428 5.239 ( -0.903 0.247 -0.343) 0.997 5.273 ( -2.367 -0.232 0.186) 2.386 5.284 ( -1.267 1.285 0.588) 1.898 5.853 ( -0.431 0.163 0.566) 0.730 5.960 ( 0.539 -0.383 -0.277) 0.717 7.311 ( -1.844 1.114 -0.023) 2.155 7.519 ( -1.662 1.191 0.514) 2.108 7.528 ( -1.942 1.425 0.219) 2.419 7.696 ( 1.004 -0.029 0.631) 1.186 7.725 ( 3.465 -2.115 0.182) 4.063 7.776 ( 1.254 -0.647 -1.116) 1.799 ======================= Grid point 114 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( -4.124 1.921 11.772) 12.620 0.304 ( -13.998 7.966 0.908) 16.131 0.567 ( -24.585 19.232 0.109) 31.214 2.186 ( 0.386 0.217 -0.003) 0.442 2.220 ( -0.341 -0.015 -0.905) 0.967 2.233 ( 1.346 -0.243 2.086) 2.494 2.879 ( 9.326 -7.870 -0.521) 12.214 3.041 ( 3.540 0.942 -2.056) 4.201 3.256 ( -2.167 1.531 0.045) 2.654 3.358 ( -7.950 3.221 0.257) 8.581 4.124 ( 4.710 -3.981 -0.394) 6.179 4.174 ( 1.651 0.997 0.131) 1.933 5.193 ( 0.265 -0.119 -0.134) 0.320 5.215 ( -1.041 0.469 -0.465) 1.233 5.249 ( -1.162 -0.161 0.146) 1.182 5.262 ( -0.900 0.608 0.728) 1.308 5.848 ( -0.368 0.149 0.353) 0.531 5.966 ( 0.190 -0.214 -0.386) 0.481 7.278 ( -1.123 0.629 -0.030) 1.287 7.487 ( -0.962 0.852 -0.209) 1.302 7.493 ( -1.527 0.643 0.447) 1.716 7.709 ( 0.151 -0.268 0.342) 0.460 7.763 ( -0.870 0.607 -2.549) 2.761 7.799 ( 2.046 -0.851 0.149) 2.221 ======================= Grid point 116 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 4.277 -0.000 10.193) 11.054 0.688 ( 16.807 -0.000 3.230) 17.114 1.077 ( 27.129 -0.000 3.087) 27.304 2.165 ( 0.452 -0.000 -0.050) 0.455 2.202 ( -2.481 0.000 0.492) 2.530 2.323 ( 1.168 -0.000 1.122) 1.620 2.767 ( -8.885 0.000 0.057) 8.886 3.014 ( -3.240 0.000 -0.207) 3.246 3.235 ( 2.158 -0.000 -1.071) 2.409 3.443 ( 3.394 -0.000 -0.107) 3.396 4.048 ( -7.920 0.000 0.555) 7.940 4.153 ( -1.623 0.000 0.185) 1.633 5.196 ( -0.884 0.000 0.330) 0.944 5.228 ( 0.597 -0.000 -0.672) 0.899 5.265 ( 2.882 -0.000 0.187) 2.888 5.274 ( 1.598 -0.000 0.067) 1.599 5.827 ( 0.054 -0.000 -0.381) 0.385 5.956 ( -0.426 0.000 -0.541) 0.689 7.301 ( 1.887 -0.000 -0.031) 1.887 7.479 ( 1.380 -0.000 -0.315) 1.415 7.522 ( 2.109 -0.000 0.386) 2.144 7.671 ( -1.572 0.000 -0.278) 1.597 7.730 ( -2.445 0.000 -0.209) 2.453 7.797 ( -0.619 0.000 -0.400) 0.737 ======================= Grid point 117 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 9.854 -2.624 5.922) 11.792 0.953 ( 14.692 1.452 2.606) 14.992 1.518 ( 21.096 -7.766 1.624) 22.539 2.102 ( -9.187 2.412 -0.322) 9.504 2.210 ( 4.878 -0.802 0.126) 4.945 2.330 ( 0.599 1.343 0.927) 1.738 2.692 ( -0.830 -1.431 0.257) 1.674 2.958 ( -2.773 0.979 -0.375) 2.964 3.256 ( 0.857 1.957 -0.487) 2.191 3.408 ( -8.656 -1.900 -0.139) 8.863 3.922 ( -5.166 5.117 0.768) 7.312 4.136 ( -1.320 -2.431 0.391) 2.794 5.181 ( -1.223 -0.580 0.091) 1.357 5.244 ( 1.646 0.049 -0.713) 1.794 5.294 ( 1.146 -0.370 0.120) 1.210 5.322 ( 3.387 0.010 0.214) 3.394 5.833 ( 0.811 -0.210 -0.362) 0.913 5.943 ( -0.913 0.092 -0.416) 1.008 7.336 ( 2.191 -0.488 -0.071) 2.245 7.507 ( 2.056 -0.222 0.191) 2.076 7.562 ( 2.111 -0.707 0.488) 2.279 7.645 ( -1.493 0.038 0.034) 1.493 7.671 ( -4.221 0.695 0.243) 4.285 7.783 ( -0.447 0.893 -0.527) 1.129 ======================= Grid point 118 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 11.349 -3.700 2.700) 12.238 1.144 ( 11.166 3.735 1.862) 11.921 1.826 ( -4.033 -0.817 -0.400) 4.134 1.926 ( 3.364 -3.271 -0.147) 4.695 2.331 ( 3.981 -4.678 -0.365) 6.153 2.367 ( 8.354 1.734 0.989) 8.589 2.739 ( 2.450 -3.692 0.284) 4.440 2.908 ( -1.733 1.583 -0.406) 2.382 3.122 ( -15.312 2.379 -0.242) 15.497 3.316 ( -1.660 1.341 0.222) 2.146 3.797 ( -2.822 8.125 0.478) 8.615 4.161 ( -0.554 -4.561 0.770) 4.659 5.170 ( -1.104 -1.058 -0.147) 1.537 5.265 ( 1.639 0.656 -0.463) 1.825 5.314 ( 0.768 -0.669 -0.227) 1.044 5.371 ( 2.541 0.213 0.274) 2.564 5.852 ( 1.371 -0.344 -0.259) 1.437 5.922 ( -1.390 0.017 -0.183) 1.402 7.377 ( 2.248 -0.817 -0.096) 2.393 7.542 ( 1.237 -0.068 0.665) 1.406 7.597 ( -1.907 0.429 0.536) 2.026 7.605 ( 0.379 -0.553 0.433) 0.798 7.626 ( -0.964 0.160 0.482) 1.090 7.761 ( -0.570 1.532 -0.607) 1.744 ======================= Grid point 119 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 6.018 1.283 0.948) 6.225 1.301 ( 10.817 -1.183 0.530) 10.895 1.572 ( -11.038 10.900 -0.834) 15.535 2.091 ( 2.223 -5.586 -0.707) 6.054 2.439 ( 3.872 -5.193 0.385) 6.489 2.529 ( 8.772 -3.790 -0.329) 9.562 2.768 ( -14.731 -4.410 0.053) 15.377 2.849 ( -1.766 0.316 -0.410) 1.840 2.890 ( -2.814 -0.271 -0.126) 2.830 3.280 ( 4.600 11.271 0.576) 12.187 3.713 ( -0.023 4.365 0.203) 4.370 4.193 ( -1.470 -4.351 1.014) 4.704 5.164 ( -0.846 -1.340 -0.393) 1.633 5.276 ( 0.893 1.238 -0.082) 1.529 5.327 ( 0.288 -0.599 -0.582) 0.883 5.397 ( 0.953 0.624 0.241) 1.164 5.876 ( 1.148 -0.267 -0.161) 1.190 5.900 ( -1.154 -0.312 0.085) 1.198 7.419 ( 1.818 -0.767 -0.046) 1.974 7.518 ( -2.427 0.540 0.209) 2.495 7.597 ( 1.100 0.353 1.704) 2.059 7.618 ( -0.037 0.047 0.667) 0.670 7.638 ( 1.264 -0.995 0.332) 1.642 7.731 ( -0.616 1.894 -0.782) 2.140 ======================= Grid point 120 (46/227) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -3.461 7.342 -0.050) 8.117 1.280 ( -7.638 10.730 -1.129) 13.219 1.560 ( 13.680 -4.176 -0.048) 14.304 2.080 ( -6.892 -0.482 -1.078) 6.992 2.402 ( -10.913 0.422 0.159) 10.922 2.526 ( -5.685 7.103 0.140) 9.099 2.777 ( 3.585 -15.645 -0.015) 16.051 2.816 ( -0.454 -2.011 -0.949) 2.270 2.908 ( 1.695 -0.384 -0.605) 1.840 3.298 ( 8.728 9.078 0.751) 12.616 3.725 ( 5.145 2.111 -0.072) 5.562 4.199 ( -2.933 -3.374 1.111) 4.606 5.164 ( -0.452 -1.414 -0.575) 1.592 5.273 ( 0.229 1.258 0.151) 1.287 5.326 ( -0.506 -0.088 -0.671) 0.845 5.391 ( -0.767 1.247 0.244) 1.484 5.873 ( -0.992 -0.004 0.306) 1.038 5.911 ( 1.094 -0.752 -0.103) 1.332 7.424 ( -1.295 1.075 0.124) 1.688 7.514 ( 1.541 -1.715 0.044) 2.306 7.604 ( -0.292 0.954 1.828) 2.082 7.632 ( 0.480 -0.402 0.768) 0.991 7.662 ( 1.050 0.733 0.155) 1.289 7.706 ( 0.147 0.626 -0.717) 0.963 ======================= Grid point 121 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -10.445 10.542 -0.099) 14.840 1.079 ( -4.178 13.904 -0.698) 14.535 1.800 ( -1.203 -3.148 -0.875) 3.482 1.878 ( -3.309 1.519 -0.400) 3.663 2.275 ( -4.631 -1.513 -0.715) 4.924 2.366 ( -4.541 10.145 0.697) 11.136 2.720 ( -4.996 0.087 -0.531) 5.025 2.934 ( 2.757 0.565 -0.848) 2.939 3.077 ( 8.788 -14.068 -0.547) 16.596 3.353 ( 2.732 0.987 0.701) 2.988 3.823 ( 9.151 2.662 -0.542) 9.546 4.177 ( -3.451 -2.399 1.044) 4.331 5.170 ( -0.025 -1.257 -0.615) 1.399 5.263 ( -0.072 1.122 0.236) 1.149 5.306 ( -1.405 0.253 -0.523) 1.520 5.357 ( -1.718 1.822 0.339) 2.527 5.862 ( -0.604 0.057 0.518) 0.798 5.933 ( 0.826 -0.794 -0.189) 1.161 7.383 ( -1.902 1.656 0.095) 2.524 7.561 ( 0.911 -0.459 0.687) 1.230 7.604 ( 0.543 -0.660 0.854) 1.208 7.620 ( -0.876 1.643 -0.208) 1.873 7.671 ( 1.051 0.139 0.433) 1.145 7.727 ( 1.722 -0.974 -0.142) 1.984 ======================= Grid point 122 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -9.042 10.796 2.487) 14.300 0.847 ( -7.464 15.794 -0.666) 17.481 1.458 ( -16.988 16.249 -0.432) 23.512 2.078 ( 8.188 -7.470 -0.723) 11.107 2.224 ( -2.367 2.454 -0.297) 3.423 2.257 ( -0.748 2.626 0.749) 2.831 2.659 ( -2.263 -1.819 -0.548) 2.955 2.975 ( 2.992 -0.577 -1.188) 3.271 3.279 ( 5.065 -2.289 0.246) 5.563 3.385 ( -0.594 -5.980 0.103) 6.010 3.934 ( 6.150 -0.256 -0.767) 6.203 4.160 ( -0.895 -1.402 0.644) 1.784 5.179 ( 0.318 -0.853 -0.543) 1.060 5.253 ( -0.069 1.167 0.136) 1.177 5.273 ( -2.042 0.318 -0.168) 2.074 5.314 ( -1.537 1.872 0.498) 2.473 5.857 ( -0.257 0.223 0.546) 0.643 5.949 ( 0.443 -0.760 -0.284) 0.924 7.338 ( -1.705 1.771 0.037) 2.459 7.548 ( -1.109 1.868 1.138) 2.452 7.566 ( -1.724 2.479 -0.660) 3.091 7.671 ( 2.592 -3.270 0.126) 4.174 7.690 ( 0.664 -0.756 0.464) 1.108 7.763 ( 1.812 -0.711 -0.415) 1.990 ======================= Grid point 123 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -3.991 7.399 8.241) 11.773 0.571 ( -6.658 17.173 0.355) 18.422 1.014 ( -13.028 26.369 0.028) 29.412 2.179 ( -0.583 -1.539 -0.015) 1.646 2.214 ( 2.616 -0.635 0.390) 2.720 2.243 ( -0.255 1.140 0.263) 1.198 2.710 ( 3.078 -8.256 -0.067) 8.811 3.026 ( 2.773 -1.988 -1.658) 3.794 3.295 ( -0.574 2.246 -0.043) 2.319 3.411 ( -1.680 0.585 0.305) 1.805 4.026 ( 2.627 -6.091 -0.487) 6.651 4.179 ( 1.488 -0.223 -0.038) 1.506 5.190 ( 0.646 -0.275 -0.460) 0.839 5.231 ( -1.288 0.979 -0.152) 1.625 5.251 ( -0.248 0.593 0.297) 0.708 5.281 ( -1.180 1.351 0.645) 1.906 5.853 ( -0.263 0.345 0.378) 0.575 5.959 ( 0.173 -0.621 -0.384) 0.751 7.300 ( -1.077 1.617 0.004) 1.942 7.515 ( -1.505 1.964 -0.333) 2.497 7.517 ( -0.699 2.160 0.345) 2.296 7.698 ( -0.202 -0.822 0.344) 0.914 7.743 ( 1.668 -2.951 -0.050) 3.390 7.788 ( 1.086 -0.294 -1.211) 1.653 ======================= Grid point 124 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.325 3.647 12.258) 12.793 0.384 ( 2.779 16.182 3.727) 16.837 0.629 ( 2.159 31.394 1.635) 31.511 2.190 ( 0.288 -0.705 0.386) 0.854 2.214 ( -0.787 1.044 -0.502) 1.400 2.258 ( 1.140 -0.721 1.751) 2.210 2.854 ( 0.397 -12.607 0.542) 12.625 3.078 ( 1.520 -2.734 -1.829) 3.624 3.253 ( -0.922 3.196 -0.941) 3.457 3.337 ( -0.429 8.140 0.502) 8.167 4.113 ( 0.451 -6.354 -0.061) 6.370 4.194 ( -0.096 -0.194 -0.251) 0.332 5.202 ( 1.171 0.291 -0.368) 1.262 5.209 ( -0.495 0.473 -0.027) 0.685 5.246 ( 0.119 0.693 0.240) 0.743 5.258 ( -0.619 0.876 0.506) 1.186 5.845 ( -0.495 0.346 0.073) 0.609 5.963 ( 0.020 -0.422 -0.483) 0.642 7.278 ( 0.018 1.202 -0.009) 1.202 7.481 ( -0.747 1.144 -0.397) 1.423 7.496 ( 0.265 1.815 0.068) 1.836 7.701 ( -0.275 -0.482 0.538) 0.773 7.756 ( -0.199 1.439 -2.250) 2.678 7.803 ( 0.054 -1.954 -0.101) 1.958 ======================= Grid point 127 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 12.333 -0.000 3.112) 12.720 1.203 ( 12.837 -0.000 1.986) 12.990 1.744 ( 11.547 -0.000 0.485) 11.557 1.952 ( -9.768 0.000 -1.180) 9.839 2.281 ( -0.233 0.000 -0.267) 0.354 2.390 ( 9.897 -0.000 1.037) 9.951 2.698 ( 1.868 -0.000 0.719) 2.002 2.925 ( -1.907 0.000 -0.469) 1.964 3.149 ( -19.641 0.000 -0.156) 19.641 3.315 ( 4.565 -0.000 -0.064) 4.565 3.910 ( -2.092 0.000 0.971) 2.307 4.089 ( -2.337 0.000 0.609) 2.415 5.159 ( -1.142 0.000 -0.139) 1.151 5.271 ( 2.045 -0.000 -0.774) 2.186 5.308 ( 0.682 -0.000 0.099) 0.689 5.374 ( 2.765 -0.000 0.245) 2.775 5.848 ( 1.374 -0.000 -0.309) 1.409 5.922 ( -1.491 0.000 -0.207) 1.505 7.369 ( 2.295 -0.000 -0.120) 2.298 7.542 ( 1.631 -0.000 0.665) 1.761 7.592 ( 1.597 -0.000 0.667) 1.731 7.609 ( -3.548 0.000 0.491) 3.582 7.627 ( -0.912 0.000 0.611) 1.097 7.776 ( -0.584 0.000 -0.643) 0.869 ======================= Grid point 128 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 11.177 -0.680 1.158) 11.257 1.341 ( 5.116 3.073 0.569) 5.995 1.769 ( -2.961 10.315 -0.782) 10.760 1.959 ( 7.115 -8.704 -0.256) 11.244 2.264 ( -2.719 -6.947 -0.437) 7.473 2.565 ( 9.383 2.792 0.367) 9.797 2.697 ( -10.528 -2.863 0.486) 10.921 2.856 ( -8.958 -0.080 -0.027) 8.959 2.889 ( -2.582 0.227 -0.253) 2.604 3.414 ( 9.129 3.272 0.285) 9.702 3.831 ( -3.245 6.793 0.642) 7.555 4.088 ( -2.343 -5.811 0.986) 6.343 5.144 ( -0.909 -0.631 -0.354) 1.162 5.294 ( 1.410 0.673 -0.480) 1.634 5.317 ( 0.258 -0.433 -0.127) 0.520 5.408 ( 1.413 0.372 0.190) 1.473 5.871 ( 1.428 -0.219 -0.229) 1.463 5.896 ( -1.620 -0.099 0.057) 1.624 7.407 ( 2.210 -0.398 -0.137) 2.249 7.526 ( -2.996 0.252 0.227) 3.015 7.603 ( 1.629 0.347 1.519) 2.254 7.614 ( 0.318 -0.396 0.346) 0.614 7.627 ( 0.563 -0.173 1.384) 1.504 7.758 ( -0.621 0.832 -0.873) 1.356 ======================= Grid point 129 (53/227) ======================= q-point: (-0.60 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.386 5.637 -0.098) 6.122 1.348 ( -1.461 -2.150 -1.510) 3.006 1.673 ( 7.439 14.937 0.512) 16.695 2.063 ( -1.256 -1.046 -0.812) 1.825 2.379 ( -17.766 -2.191 0.231) 17.902 2.415 ( 3.661 -19.037 -0.351) 19.389 2.654 ( 2.668 4.901 0.190) 5.584 2.825 ( -3.405 0.909 -0.360) 3.543 2.878 ( 1.991 -2.473 0.030) 3.174 3.499 ( 6.697 10.962 0.599) 12.860 3.764 ( 2.631 1.829 0.024) 3.204 4.106 ( -3.263 -6.056 1.104) 6.968 5.139 ( -0.470 -1.115 -0.544) 1.326 5.296 ( 0.163 1.152 0.118) 1.170 5.323 ( -0.009 -0.313 -0.554) 0.636 5.412 ( -0.162 0.963 0.171) 0.991 5.874 ( -1.030 0.036 0.284) 1.069 5.896 ( 1.008 -0.701 -0.162) 1.238 7.437 ( 0.666 0.309 -0.016) 0.734 7.490 ( -0.841 -0.820 0.096) 1.178 7.621 ( 0.208 0.061 0.669) 0.703 7.625 ( 0.435 0.549 1.728) 1.864 7.659 ( 1.774 -0.656 1.170) 2.224 7.732 ( -0.631 1.466 -1.122) 1.951 ======================= Grid point 130 (54/227) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -7.435 10.423 -0.883) 12.833 1.310 ( -1.378 7.794 -1.095) 7.991 1.745 ( 9.815 2.355 0.117) 10.094 1.927 ( -12.153 2.645 -0.148) 12.438 2.212 ( -4.713 -4.835 -0.537) 6.773 2.569 ( -2.785 10.252 0.743) 10.649 2.700 ( 0.935 -8.252 0.280) 8.309 2.791 ( 4.765 -9.560 -1.143) 10.743 2.929 ( 1.966 -1.371 -0.648) 2.483 3.441 ( -0.985 7.794 0.634) 7.882 3.863 ( 7.860 0.668 -0.347) 7.896 4.108 ( -2.676 -4.385 0.856) 5.208 5.145 ( 0.159 -1.297 -0.624) 1.448 5.286 ( -0.106 1.177 0.365) 1.237 5.312 ( -0.992 0.262 -0.564) 1.171 5.389 ( -1.262 1.601 0.249) 2.053 5.864 ( -0.382 0.114 0.471) 0.617 5.917 ( 0.653 -0.933 -0.200) 1.156 7.414 ( -1.450 1.657 0.118) 2.205 7.524 ( 1.977 -2.596 -0.019) 3.263 7.620 ( -0.151 1.577 1.387) 2.106 7.631 ( -0.408 -0.339 0.728) 0.901 7.689 ( 0.640 1.223 -0.219) 1.397 7.713 ( 0.891 -0.294 -0.144) 0.950 ======================= Grid point 131 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -7.569 12.489 0.367) 14.608 1.128 ( -7.805 13.263 -0.514) 15.397 1.709 ( -5.227 11.554 0.025) 12.681 1.918 ( 5.119 -9.372 -0.245) 10.682 2.225 ( 1.550 -1.334 -0.629) 2.140 2.388 ( -6.052 10.488 0.979) 12.148 2.662 ( -2.229 1.902 -0.280) 2.944 2.961 ( 1.438 -1.013 -1.108) 2.079 3.087 ( 10.044 -15.868 -0.417) 18.784 3.368 ( -2.343 2.491 0.414) 3.445 3.928 ( -0.731 -1.879 0.003) 2.017 4.133 ( 2.922 -0.606 -0.088) 2.985 5.161 ( 0.826 -1.056 -0.576) 1.459 5.277 ( 0.133 1.284 0.406) 1.354 5.283 ( -1.779 0.597 -0.341) 1.908 5.350 ( -1.548 1.988 0.414) 2.554 5.862 ( 0.008 0.309 0.512) 0.598 5.932 ( 0.342 -1.039 -0.275) 1.128 7.374 ( -1.403 2.053 0.096) 2.488 7.574 ( 0.921 -0.596 0.381) 1.161 7.604 ( -0.827 1.324 -0.028) 1.561 7.623 ( 0.154 -0.375 0.555) 0.687 7.680 ( 0.182 0.071 -0.406) 0.450 7.748 ( 1.645 -1.046 0.063) 1.950 ======================= Grid point 132 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -3.906 12.144 3.718) 13.287 0.867 ( -7.322 14.276 0.507) 16.053 1.483 ( -3.306 23.839 -0.045) 24.067 2.073 ( 2.240 -10.395 -0.185) 10.636 2.239 ( -0.192 3.548 0.678) 3.617 2.261 ( -1.311 1.459 -0.059) 1.962 2.634 ( 0.571 0.266 0.160) 0.650 2.987 ( 0.910 -2.065 -1.433) 2.673 3.314 ( -1.725 -3.944 -0.132) 4.307 3.347 ( 6.205 -4.099 0.197) 7.440 3.915 ( -3.604 -5.990 0.017) 6.991 4.184 ( 3.224 1.175 -0.697) 3.502 5.183 ( 1.391 -0.430 -0.489) 1.536 5.245 ( -1.872 0.599 -0.171) 1.973 5.273 ( 0.612 1.510 0.499) 1.704 5.311 ( -1.485 1.886 0.585) 2.471 5.860 ( -0.096 0.454 0.388) 0.605 5.944 ( 0.155 -0.967 -0.367) 1.046 7.335 ( -0.949 2.180 0.069) 2.378 7.557 ( -1.027 2.603 0.040) 2.799 7.565 ( -0.630 2.609 -0.300) 2.701 7.669 ( 1.143 -3.474 0.011) 3.657 7.688 ( 0.147 -1.364 0.270) 1.398 7.777 ( 0.880 -0.988 -0.825) 1.559 ======================= Grid point 133 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.651 9.190 8.085) 12.258 0.684 ( 1.538 15.312 2.054) 15.525 1.198 ( 0.680 29.861 0.352) 29.871 2.163 ( 0.961 -4.086 0.716) 4.258 2.216 ( -2.394 -0.748 -0.000) 2.509 2.255 ( 1.962 0.669 0.298) 2.094 2.671 ( -0.005 -5.424 0.604) 5.458 3.018 ( 0.846 -3.249 -1.490) 3.673 3.293 ( -0.541 0.733 -0.727) 1.166 3.426 ( 0.294 0.911 0.716) 1.196 3.959 ( -0.172 -9.601 -0.260) 9.606 4.198 ( 0.179 0.954 -0.692) 1.192 5.206 ( 1.304 0.097 -0.510) 1.403 5.217 ( -0.628 0.479 0.188) 0.811 5.272 ( 0.302 2.010 0.417) 2.075 5.277 ( -0.717 1.077 0.624) 1.436 5.853 ( -0.443 0.507 0.143) 0.688 5.951 ( 0.029 -0.804 -0.463) 0.928 7.308 ( -0.009 2.001 0.039) 2.002 7.514 ( -0.896 2.366 -0.689) 2.622 7.539 ( 0.402 2.741 -0.003) 2.770 7.689 ( -0.120 -0.865 0.209) 0.898 7.724 ( -0.083 -3.783 0.192) 3.789 7.782 ( -0.326 -0.700 -1.657) 1.828 ======================= Grid point 134 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 1.922 6.810 9.869) 12.143 0.648 ( 8.678 14.846 3.046) 17.464 1.058 ( 14.903 23.879 1.628) 28.195 2.177 ( -1.514 0.488 -0.253) 1.611 2.218 ( 1.715 -2.255 0.944) 2.986 2.273 ( -0.682 0.189 0.990) 1.217 2.717 ( -3.114 -8.723 0.172) 9.263 3.041 ( -1.491 -2.516 -0.942) 3.073 3.272 ( 0.049 2.845 -0.927) 2.993 3.415 ( 1.628 1.499 0.471) 2.263 4.035 ( -1.560 -7.168 -0.045) 7.336 4.171 ( -2.169 -0.005 -0.385) 2.203 5.205 ( -0.191 -0.205 0.120) 0.305 5.233 ( 2.044 0.723 -0.164) 2.174 5.246 ( -0.839 1.097 0.289) 1.411 5.277 ( 0.997 1.510 0.255) 1.827 5.840 ( -0.496 0.472 -0.122) 0.695 5.955 ( -0.084 -0.591 -0.532) 0.800 7.300 ( 1.057 1.593 0.003) 1.912 7.485 ( 0.118 1.541 -0.575) 1.649 7.529 ( 1.321 2.357 -0.074) 2.703 7.691 ( -0.744 -0.555 -0.050) 0.929 7.738 ( -1.434 -1.915 -0.407) 2.427 7.775 ( -0.675 -1.581 -0.944) 1.961 ======================= Grid point 138 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 9.147 -0.000 0.058) 9.147 1.319 ( -6.431 0.000 -1.525) 6.610 1.932 ( 9.737 -0.000 0.630) 9.757 2.017 ( 7.769 -0.000 -0.598) 7.792 2.158 ( -3.253 0.000 -0.658) 3.319 2.356 ( -22.862 0.000 0.347) 22.865 2.709 ( 5.400 -0.000 -0.009) 5.400 2.838 ( -4.050 0.000 -0.136) 4.052 2.843 ( 2.098 -0.000 0.228) 2.111 3.621 ( 12.902 -0.000 0.265) 12.905 3.784 ( -7.005 0.000 0.590) 7.030 4.030 ( -1.362 0.000 0.901) 1.633 5.128 ( -0.441 0.000 -0.514) 0.677 5.312 ( -0.438 0.000 0.260) 0.509 5.314 ( 0.723 -0.000 -0.615) 0.949 5.422 ( 0.040 -0.000 0.126) 0.132 5.874 ( -1.096 0.000 0.293) 1.135 5.889 ( 1.052 -0.000 -0.202) 1.071 7.438 ( 2.039 -0.000 -0.138) 2.044 7.483 ( -2.371 0.000 0.187) 2.378 7.617 ( 0.107 -0.000 0.474) 0.486 7.642 ( 0.571 -0.000 1.596) 1.696 7.645 ( 1.883 -0.000 1.709) 2.543 7.747 ( -0.636 0.000 -1.189) 1.348 ======================= Grid point 139 (60/227) ======================= q-point: (-0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -6.101 7.544 -1.474) 9.814 1.317 ( 3.157 -4.166 -0.988) 5.319 1.890 ( -9.634 7.054 0.385) 11.947 2.014 ( -2.868 7.810 -0.472) 8.334 2.137 ( 2.433 -0.070 -0.027) 2.434 2.375 ( 10.872 -19.082 0.172) 21.962 2.721 ( -2.662 4.864 0.763) 5.597 2.775 ( -1.207 1.142 -0.811) 1.849 2.889 ( 1.957 -2.391 -0.242) 3.099 3.603 ( -6.766 8.359 0.494) 10.765 3.818 ( 3.861 -5.084 0.386) 6.396 4.052 ( 3.228 -1.256 0.131) 3.466 5.127 ( 0.345 -0.549 -0.586) 0.874 5.303 ( -0.331 0.610 0.422) 0.812 5.314 ( -0.652 -0.085 -0.480) 0.815 5.411 ( -1.005 0.681 0.190) 1.228 5.866 ( -0.150 0.093 0.443) 0.477 5.903 ( 0.517 -0.457 -0.206) 0.720 7.444 ( -0.878 1.598 0.108) 1.827 7.481 ( 1.233 -1.995 -0.027) 2.346 7.621 ( -0.147 -0.346 0.560) 0.674 7.651 ( 0.470 1.449 1.451) 2.103 7.685 ( 1.448 -0.989 1.243) 2.150 7.727 ( -0.619 0.788 -1.438) 1.753 ======================= Grid point 140 (61/227) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -6.372 10.119 -0.631) 11.975 1.298 ( -6.530 5.309 -0.661) 8.442 1.729 ( -6.251 -8.700 0.350) 10.719 1.937 ( 3.264 10.815 -0.430) 11.305 2.221 ( 7.362 2.703 -0.126) 7.843 2.571 ( -7.445 6.908 0.863) 10.193 2.697 ( 4.976 -2.647 0.342) 5.646 2.792 ( 7.436 -10.365 -0.784) 12.780 2.934 ( 1.106 -2.105 -0.868) 2.531 3.429 ( -7.443 3.586 0.284) 8.267 3.854 ( -4.528 -5.116 0.594) 6.857 4.144 ( 7.132 1.173 -0.820) 7.275 5.143 ( 1.272 -0.766 -0.541) 1.580 5.290 ( -1.601 0.290 -0.412) 1.678 5.298 ( 0.016 0.830 0.630) 1.042 5.383 ( -1.412 1.385 0.367) 2.012 5.868 ( 0.331 0.386 0.463) 0.688 5.913 ( 0.219 -0.919 -0.253) 0.979 7.412 ( -0.914 2.108 0.124) 2.301 7.526 ( 1.495 -2.971 0.003) 3.326 7.623 ( -0.462 -0.308 0.576) 0.800 7.642 ( -0.165 2.296 0.928) 2.482 7.698 ( -0.266 1.292 -1.461) 1.968 7.724 ( 1.055 -1.474 0.349) 1.846 ======================= Grid point 141 (62/227) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -3.395 12.259 1.484) 12.806 1.085 ( -8.024 9.789 0.497) 12.667 1.807 ( 2.377 -7.590 -0.023) 7.954 1.886 ( 1.913 9.272 -0.413) 9.476 2.288 ( 3.995 3.506 -0.141) 5.317 2.372 ( -6.831 8.970 0.883) 11.309 2.687 ( 0.937 4.625 0.214) 4.723 2.953 ( 0.105 -1.629 -1.372) 2.133 3.099 ( 9.356 -14.942 -0.137) 17.630 3.326 ( -4.187 -2.098 0.123) 4.685 3.809 ( -6.164 -5.029 0.220) 7.958 4.218 ( 4.355 2.145 -1.134) 4.985 5.174 ( 1.984 -0.559 -0.454) 2.111 5.254 ( -2.058 0.401 -0.195) 2.106 5.298 ( 0.549 1.128 0.697) 1.436 5.347 ( -1.374 1.925 0.538) 2.425 5.870 ( 0.098 0.589 0.346) 0.690 5.924 ( 0.137 -1.108 -0.324) 1.163 7.378 ( -0.690 2.501 0.121) 2.597 7.576 ( 0.984 -2.761 0.034) 2.931 7.608 ( -0.768 2.305 -0.514) 2.483 7.623 ( -0.439 0.391 0.900) 1.074 7.680 ( 0.072 0.479 -1.013) 1.123 7.752 ( 0.505 -1.656 -0.551) 1.817 ======================= Grid point 142 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 1.337 12.690 4.313) 13.470 0.929 ( 0.865 11.198 1.599) 11.345 1.707 ( 0.255 24.727 -0.255) 24.730 1.973 ( 0.339 -14.700 0.119) 14.704 2.251 ( -0.731 4.344 0.783) 4.474 2.288 ( 0.468 3.165 -0.127) 3.202 2.663 ( -0.109 3.169 0.602) 3.227 2.967 ( 0.564 -2.295 -1.472) 2.784 3.257 ( -0.388 -5.498 -0.618) 5.546 3.366 ( 0.878 -6.980 0.835) 7.085 3.795 ( -1.029 -7.199 -0.458) 7.286 4.230 ( 0.487 2.344 -1.077) 2.625 5.204 ( 0.599 -0.346 -0.510) 0.860 5.227 ( 0.148 0.556 0.255) 0.629 5.296 ( -0.572 0.967 0.630) 1.288 5.315 ( 0.054 2.464 0.588) 2.533 5.863 ( -0.386 0.619 0.160) 0.747 5.934 ( 0.029 -1.068 -0.420) 1.148 7.349 ( -0.039 2.487 0.104) 2.490 7.564 ( -0.890 2.957 -0.882) 3.211 7.587 ( 0.381 1.889 0.010) 1.927 7.643 ( -0.108 -3.968 0.247) 3.977 7.679 ( 0.010 -0.488 -0.294) 0.570 7.762 ( -0.478 -1.491 -1.391) 2.094 ======================= Grid point 143 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 4.084 11.511 6.034) 13.624 0.917 ( 8.860 13.369 2.348) 16.209 1.495 ( 3.958 22.671 0.362) 23.017 2.087 ( -1.737 -10.858 0.289) 11.000 2.228 ( 1.943 4.516 0.545) 4.946 2.277 ( -0.280 0.042 0.325) 0.431 2.636 ( -0.766 0.191 0.189) 0.812 2.993 ( 0.062 -2.482 -1.125) 2.725 3.295 ( 1.629 -2.329 -0.869) 2.972 3.370 ( -6.186 -4.782 1.075) 7.892 3.899 ( 3.609 -7.316 -0.539) 8.175 4.184 ( -3.128 1.619 -0.759) 3.603 5.196 ( -0.697 -0.610 0.034) 0.927 5.249 ( 2.097 0.983 0.010) 2.316 5.268 ( -1.023 1.163 0.388) 1.597 5.311 ( 1.228 2.161 0.491) 2.534 5.850 ( -0.571 0.554 -0.026) 0.796 5.941 ( -0.037 -0.937 -0.494) 1.060 7.335 ( 0.870 2.164 0.053) 2.333 7.524 ( -0.231 2.552 -0.815) 2.689 7.576 ( 1.108 2.520 -0.265) 2.766 7.670 ( -1.145 -3.398 0.020) 3.586 7.683 ( -0.757 -1.465 0.046) 1.650 7.753 ( -1.013 -1.213 -1.556) 2.218 ======================= Grid point 144 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 6.339 10.008 5.974) 13.268 0.926 ( 7.031 14.085 2.300) 15.909 1.504 ( 17.590 13.995 1.218) 22.511 2.102 ( -6.818 -7.170 0.120) 9.895 2.237 ( 0.641 3.147 0.887) 3.332 2.268 ( 1.560 0.228 0.515) 1.658 2.658 ( 2.362 -2.108 -0.594) 3.221 2.986 ( -2.560 -1.178 -0.708) 2.906 3.276 ( -3.444 1.569 0.045) 3.785 3.381 ( -0.995 -8.469 0.081) 8.528 3.945 ( -5.162 -1.384 -0.303) 5.353 4.139 ( 0.075 -1.464 -0.168) 1.476 5.200 ( 0.031 -0.817 0.227) 0.849 5.239 ( -0.578 0.997 -0.121) 1.159 5.283 ( 2.543 0.919 0.125) 2.707 5.313 ( 1.163 2.073 0.205) 2.386 5.839 ( -0.084 0.443 -0.168) 0.481 5.944 ( -0.231 -0.678 -0.485) 0.865 7.337 ( 1.595 1.726 -0.019) 2.350 7.506 ( 0.865 1.637 -0.381) 1.891 7.575 ( 1.744 2.311 -0.264) 2.907 7.666 ( -1.713 -1.055 -0.440) 2.060 7.676 ( -2.657 -2.592 0.228) 3.718 7.747 ( -0.485 -1.634 -0.833) 1.897 ======================= Grid point 149 (66/227) ======================= q-point: (-0.60 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -7.137 0.000 -0.949) 7.200 1.346 ( 2.071 -0.000 -0.952) 2.279 1.630 ( -16.137 0.000 0.778) 16.155 2.041 ( 1.419 -0.000 -1.057) 1.770 2.366 ( 8.631 -0.000 0.036) 8.631 2.446 ( 15.928 -0.000 0.796) 15.948 2.657 ( -5.794 0.000 0.602) 5.825 2.803 ( 1.378 -0.000 -0.613) 1.508 2.898 ( 1.230 -0.000 -0.538) 1.343 3.471 ( -12.797 0.000 0.287) 12.800 3.794 ( -2.813 0.000 0.606) 2.877 4.157 ( 7.872 -0.000 -0.968) 7.931 5.136 ( 1.430 -0.000 -0.521) 1.521 5.293 ( -1.669 0.000 -0.411) 1.719 5.306 ( 0.075 -0.000 0.708) 0.712 5.396 ( -1.343 0.000 0.356) 1.389 5.873 ( 0.577 -0.000 0.448) 0.731 5.904 ( 0.069 -0.000 -0.253) 0.262 7.441 ( -0.618 0.000 0.136) 0.633 7.490 ( 1.120 -0.000 0.015) 1.120 7.618 ( -0.345 0.000 0.753) 0.829 7.675 ( 0.559 -0.000 0.480) 0.737 7.698 ( 0.501 -0.000 0.634) 0.808 7.714 ( -0.454 0.000 -1.570) 1.634 ======================= Grid point 151 (67/227) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -4.239 4.921 0.922) 6.560 1.270 ( -4.481 11.407 -0.065) 12.256 1.542 ( -3.415 -14.634 0.261) 15.029 2.065 ( 4.294 4.339 -0.869) 6.166 2.406 ( 3.428 7.415 0.561) 8.188 2.537 ( -2.483 8.850 0.483) 9.205 2.772 ( 6.114 -1.381 0.252) 6.273 2.821 ( 7.288 -8.722 -0.531) 11.378 2.925 ( 1.363 -1.801 -0.830) 2.407 3.266 ( -12.871 -3.131 0.247) 13.249 3.747 ( -3.971 -1.622 -0.042) 4.290 4.249 ( 4.580 0.950 -1.273) 4.847 5.165 ( 2.245 -0.290 -0.425) 2.303 5.259 ( -2.128 0.120 -0.176) 2.138 5.312 ( 0.374 0.411 0.771) 0.950 5.374 ( -1.180 0.828 0.559) 1.546 5.881 ( 0.334 0.560 0.303) 0.719 5.906 ( 0.031 -0.777 -0.298) 0.833 7.423 ( -0.331 2.084 0.128) 2.114 7.517 ( 0.631 -2.635 0.108) 2.711 7.617 ( -0.370 -0.108 0.836) 0.921 7.664 ( -0.251 2.510 -0.284) 2.538 7.696 ( -0.021 0.618 -1.788) 1.892 7.717 ( 0.048 -1.976 -0.284) 1.997 ======================= Grid point 152 (68/227) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.873 8.957 2.988) 9.626 1.119 ( 0.305 11.040 0.890) 11.080 1.676 ( 0.200 -16.876 0.083) 16.878 2.050 ( 0.939 10.737 -0.607) 10.795 2.355 ( -1.116 5.918 0.802) 6.076 2.414 ( 0.051 11.942 0.002) 11.942 2.749 ( -0.089 5.783 0.409) 5.798 2.931 ( 0.275 -1.990 -1.645) 2.597 3.085 ( -0.246 -12.120 -0.599) 12.137 3.198 ( 0.490 -10.258 1.021) 10.320 3.714 ( -1.035 -1.967 -0.762) 2.350 4.271 ( 0.609 1.792 -1.245) 2.265 5.196 ( 0.380 -0.438 -0.471) 0.747 5.235 ( 0.368 0.285 0.277) 0.541 5.311 ( -0.697 0.607 0.603) 1.104 5.355 ( 0.089 1.703 0.724) 1.853 5.876 ( -0.328 0.736 0.109) 0.813 5.914 ( 0.013 -1.065 -0.357) 1.123 7.398 ( -0.053 2.695 0.135) 2.699 7.554 ( 0.055 -3.738 0.155) 3.742 7.613 ( -0.388 1.144 0.106) 1.213 7.629 ( -0.627 2.046 -0.326) 2.164 7.684 ( 0.445 0.821 -1.537) 1.798 7.729 ( -0.612 -2.122 -1.208) 2.517 ======================= Grid point 153 (69/227) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 4.758 12.505 3.916) 13.941 1.118 ( 9.573 8.743 1.854) 13.097 1.808 ( -2.689 -6.217 -0.047) 6.774 1.899 ( -1.221 8.247 0.113) 8.338 2.292 ( -3.266 2.418 0.062) 4.064 2.359 ( 5.473 9.021 0.325) 10.556 2.687 ( -1.176 4.449 0.126) 4.603 2.950 ( 0.411 -2.237 -1.306) 2.623 3.109 ( -7.993 -14.835 0.051) 16.851 3.328 ( 2.935 -2.162 0.322) 3.659 3.778 ( 5.357 -5.422 -0.982) 7.685 4.224 ( -3.535 2.296 -0.970) 4.325 5.184 ( -1.205 -0.676 -0.032) 1.382 5.265 ( 2.552 0.577 0.176) 2.622 5.287 ( -1.366 0.820 0.310) 1.623 5.353 ( 1.157 2.131 0.716) 2.528 5.861 ( -0.690 0.645 -0.009) 0.944 5.922 ( 0.003 -1.086 -0.437) 1.170 7.378 ( 0.574 2.497 0.103) 2.564 7.573 ( -0.797 1.443 -0.630) 1.764 7.588 ( -0.433 -1.966 -0.271) 2.031 7.619 ( -0.050 0.155 0.304) 0.345 7.678 ( 0.298 0.591 -1.188) 1.360 7.725 ( -1.118 -1.841 -1.518) 2.635 ======================= Grid point 154 (70/227) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 6.418 12.165 3.846) 14.281 1.194 ( 7.565 13.219 1.956) 15.356 1.718 ( 6.019 9.759 0.340) 11.471 1.934 ( -5.355 -9.819 0.372) 11.191 2.245 ( -1.327 -2.202 0.077) 2.573 2.369 ( 5.714 10.123 0.261) 11.627 2.660 ( 2.125 1.880 -0.411) 2.866 2.959 ( -1.238 -1.858 -1.071) 2.477 3.117 ( -9.335 -16.350 0.627) 18.837 3.346 ( 1.442 3.365 -0.352) 3.678 3.910 ( 2.743 -3.693 -0.556) 4.633 4.125 ( -4.527 0.512 -0.538) 4.587 5.180 ( -0.350 -1.162 0.175) 1.226 5.259 ( -0.680 1.058 -0.071) 1.260 5.300 ( 2.254 0.769 0.218) 2.391 5.354 ( 1.161 2.319 0.440) 2.630 5.847 ( -0.294 0.431 -0.078) 0.528 5.929 ( -0.076 -0.949 -0.419) 1.040 7.372 ( 1.252 2.045 0.020) 2.398 7.542 ( 0.093 2.127 -0.611) 2.215 7.599 ( -1.008 -2.368 0.077) 2.575 7.619 ( -0.188 -0.138 0.028) 0.235 7.666 ( -0.607 0.382 -1.119) 1.329 7.718 ( -0.791 -1.586 -0.992) 2.031 ======================= Grid point 155 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 7.482 10.142 3.070) 12.972 1.137 ( 3.068 12.836 1.500) 13.283 1.843 ( -3.031 -5.861 0.694) 6.635 1.892 ( 7.236 1.976 0.178) 7.503 2.282 ( 3.432 0.275 -0.286) 3.454 2.372 ( 5.733 7.131 0.732) 9.179 2.712 ( 5.083 -0.155 -0.832) 5.153 2.933 ( -2.701 -0.535 -0.846) 2.881 3.112 ( -8.871 -13.104 0.762) 15.843 3.322 ( -2.597 0.564 -0.413) 2.689 3.831 ( -9.129 2.477 -0.244) 9.462 4.151 ( 3.479 -2.990 0.068) 4.587 5.192 ( -0.028 -1.177 0.230) 1.199 5.244 ( 0.169 0.964 -0.395) 1.056 5.326 ( 1.552 0.730 0.206) 1.727 5.353 ( 1.360 1.997 0.069) 2.418 5.845 ( 0.624 0.283 -0.120) 0.695 5.931 ( -0.485 -0.635 -0.299) 0.854 7.379 ( 1.757 1.618 -0.051) 2.389 7.534 ( 0.854 1.071 0.075) 1.372 7.596 ( -2.572 -2.699 0.362) 3.746 7.617 ( 0.674 0.938 -0.153) 1.165 7.644 ( -0.744 0.562 -0.769) 1.209 7.720 ( -0.531 -1.749 -0.544) 1.907 ======================= Grid point 161 (72/227) ======================= q-point: ( 0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 1.966 0.000 2.898) 3.502 1.358 ( 0.710 0.000 -0.822) 1.086 1.383 ( -0.341 -0.000 1.310) 1.354 2.131 ( 1.138 -0.000 -0.590) 1.282 2.419 ( -0.936 0.000 0.827) 1.249 2.619 ( -0.044 0.000 0.213) 0.218 2.836 ( 0.754 0.000 0.226) 0.787 2.850 ( 1.842 0.000 -1.614) 2.449 2.950 ( -5.621 0.000 -1.318) 5.774 3.068 ( 2.798 -0.000 1.492) 3.171 3.700 ( -0.903 0.000 -0.925) 1.292 4.289 ( 0.637 0.000 -1.288) 1.437 5.191 ( 0.347 -0.000 -0.440) 0.560 5.237 ( 0.379 0.000 0.270) 0.465 5.317 ( -0.733 0.000 0.590) 0.941 5.371 ( 0.098 -0.000 0.782) 0.788 5.887 ( -0.358 -0.000 0.146) 0.386 5.900 ( 0.060 0.000 -0.399) 0.403 7.433 ( -0.044 0.000 0.116) 0.124 7.508 ( -0.018 0.000 0.206) 0.207 7.616 ( -0.287 0.000 0.950) 0.993 7.670 ( -0.649 0.000 -1.380) 1.525 7.688 ( -0.094 -0.000 -1.556) 1.559 7.698 ( -0.109 -0.000 -1.217) 1.222 ======================= Grid point 163 (73/227) ======================= q-point: (-0.40 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 6.636 5.326 3.877) 9.351 1.284 ( 5.588 10.798 0.517) 12.169 1.547 ( 3.218 -14.731 0.398) 15.084 2.086 ( -3.532 4.635 -0.150) 5.829 2.397 ( -3.151 7.352 0.304) 8.005 2.527 ( 1.106 9.431 0.080) 9.496 2.763 ( -8.352 -2.692 -0.184) 8.777 2.835 ( -5.516 -7.419 -0.047) 9.245 2.901 ( -0.178 -3.601 -1.614) 3.950 3.273 ( 11.886 -2.722 0.502) 12.204 3.713 ( 2.710 -1.636 -1.359) 3.445 4.256 ( -3.555 0.980 -1.047) 3.834 5.174 ( -1.485 -0.319 -0.052) 1.519 5.271 ( 2.659 0.120 0.257) 2.674 5.298 ( -1.414 0.326 0.231) 1.470 5.382 ( 1.061 0.900 0.861) 1.636 5.872 ( -0.902 0.531 -0.028) 1.047 5.904 ( 0.145 -0.721 -0.397) 0.835 7.423 ( 0.218 2.093 0.117) 2.107 7.519 ( -0.616 -2.716 0.219) 2.793 7.617 ( -0.237 0.104 0.827) 0.866 7.632 ( -0.924 2.340 -1.562) 2.961 7.687 ( -1.064 -2.158 -1.408) 2.788 7.694 ( 0.943 0.679 -1.875) 2.206 ======================= Grid point 164 (74/227) ======================= q-point: (-0.30 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 5.610 11.083 3.014) 12.782 1.355 ( 7.987 3.885 1.630) 9.030 1.731 ( 6.019 -8.425 0.373) 10.361 1.944 ( -4.357 11.410 -0.121) 12.214 2.222 ( -6.938 1.406 -0.142) 7.081 2.551 ( 7.087 7.449 0.064) 10.282 2.683 ( -5.316 -3.956 -0.320) 6.634 2.817 ( -6.639 -10.217 0.137) 12.185 2.917 ( -1.118 -3.244 -1.339) 3.683 3.418 ( 6.444 4.054 -0.132) 7.614 3.811 ( 5.055 -6.041 -0.983) 7.938 4.149 ( -7.253 1.517 -0.678) 7.441 5.161 ( -0.790 -0.845 0.154) 1.167 5.276 ( -0.654 0.651 -0.132) 0.933 5.309 ( 2.137 0.259 0.282) 2.171 5.392 ( 1.077 1.630 0.664) 2.063 5.855 ( -0.590 0.411 -0.072) 0.723 5.912 ( 0.100 -0.836 -0.342) 0.909 7.411 ( 0.770 2.132 0.062) 2.268 7.531 ( -1.504 -3.083 0.201) 3.436 7.591 ( -0.336 2.229 -1.056) 2.489 7.618 ( -0.308 -0.368 0.342) 0.589 7.675 ( -1.103 -0.822 -1.347) 1.925 7.698 ( 0.917 0.251 -1.569) 1.834 ======================= Grid point 165 (75/227) ======================= q-point: (-0.20 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 4.899 10.329 2.165) 11.636 1.372 ( 0.637 9.027 1.270) 9.138 1.746 ( -11.059 0.350 0.157) 11.066 1.933 ( 13.203 1.907 0.145) 13.341 2.223 ( 4.526 -5.348 -0.184) 7.008 2.548 ( 2.893 9.560 -0.118) 9.989 2.693 ( 0.115 -6.722 -0.085) 6.723 2.820 ( -5.543 -11.298 -0.004) 12.584 2.910 ( -2.224 -2.553 -1.255) 3.611 3.415 ( 0.432 7.990 -0.350) 8.010 3.862 ( -6.332 -0.408 -0.338) 6.354 4.079 ( 1.476 -3.950 -0.304) 4.227 5.166 ( -0.066 -1.393 0.189) 1.407 5.264 ( 0.187 1.014 -0.380) 1.099 5.336 ( 1.296 0.287 0.309) 1.363 5.392 ( 0.706 1.997 0.252) 2.133 5.850 ( 0.429 0.200 -0.058) 0.477 5.917 ( -0.250 -0.768 -0.200) 0.832 7.410 ( 1.312 1.706 -0.029) 2.152 7.529 ( -1.906 -2.337 0.168) 3.020 7.573 ( 0.234 0.976 -0.184) 1.021 7.616 ( -0.557 -0.491 -0.007) 0.742 7.659 ( -0.551 -0.091 -0.770) 0.951 7.701 ( 0.591 0.208 -1.205) 1.358 ======================= Grid point 166 (76/227) ======================= q-point: (-0.10 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.013 6.898 1.359) 7.031 1.322 ( 7.041 11.318 0.552) 13.341 1.559 ( -15.269 -5.906 -0.163) 16.372 2.098 ( 6.712 -1.166 -0.377) 6.823 2.390 ( 8.284 1.242 -0.249) 8.380 2.538 ( 7.932 4.746 0.493) 9.257 2.777 ( 1.509 -8.900 -0.063) 9.027 2.831 ( -4.063 -6.516 -0.456) 7.692 2.894 ( -2.130 -4.093 -0.988) 4.719 3.270 ( -8.615 8.934 -0.266) 12.414 3.729 ( -5.362 2.259 0.068) 5.819 4.177 ( 3.285 -4.103 0.262) 5.263 5.181 ( 0.084 -1.287 0.065) 1.291 5.256 ( 0.352 1.053 -0.409) 1.183 5.347 ( 0.295 0.481 0.117) 0.576 5.385 ( 0.539 1.233 -0.027) 1.346 5.863 ( 1.322 0.168 -0.078) 1.335 5.914 ( -0.781 -0.507 0.002) 0.931 7.419 ( 1.390 1.149 -0.036) 1.804 7.519 ( -1.699 -1.697 0.250) 2.414 7.576 ( 0.753 0.443 0.763) 1.160 7.611 ( -0.635 -0.510 0.192) 0.836 7.653 ( 0.047 0.088 -0.469) 0.479 7.702 ( 0.277 -0.046 -0.886) 0.930 ======================= Grid point 173 (77/227) ======================= q-point: ( 0.60 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 7.017 -0.000 3.718) 7.941 1.370 ( -1.292 0.000 -0.031) 1.292 1.637 ( 16.314 -0.000 1.018) 16.346 2.060 ( -1.629 0.000 -0.337) 1.664 2.375 ( -7.964 0.000 0.446) 7.976 2.412 ( -17.089 0.000 -0.483) 17.096 2.644 ( 5.266 -0.000 0.128) 5.267 2.829 ( -1.278 0.000 0.358) 1.327 2.851 ( -0.885 0.000 -2.382) 2.541 3.467 ( 11.951 -0.000 0.112) 11.952 3.741 ( 2.576 -0.000 -1.399) 2.931 4.165 ( -7.649 0.000 -0.708) 7.682 5.153 ( -0.963 0.000 0.148) 0.975 5.282 ( -0.608 0.000 -0.167) 0.630 5.311 ( 2.064 -0.000 0.309) 2.087 5.408 ( 1.039 -0.000 0.754) 1.284 5.859 ( -0.810 0.000 -0.089) 0.814 5.903 ( 0.255 -0.000 -0.301) 0.395 7.439 ( 0.474 -0.000 0.089) 0.482 7.493 ( -1.094 0.000 0.166) 1.107 7.612 ( -0.696 0.000 -0.384) 0.795 7.626 ( -0.590 0.000 -0.534) 0.796 7.651 ( -1.081 0.000 -1.025) 1.490 7.706 ( 1.328 -0.000 -1.982) 2.386 ======================= Grid point 175 (78/227) ======================= q-point: (-0.30 0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.977 8.796 1.699) 9.174 1.374 ( -1.527 -5.939 1.270) 6.263 1.906 ( 7.178 9.293 0.927) 11.779 2.004 ( 3.502 8.352 -0.681) 9.082 2.130 ( -1.407 -2.534 -0.444) 2.933 2.370 ( -10.907 -19.714 -0.010) 22.530 2.704 ( 3.103 5.312 0.020) 6.152 2.789 ( 1.028 1.661 -0.538) 2.026 2.850 ( -2.176 -3.854 -1.451) 4.658 3.582 ( 5.650 9.000 -0.359) 10.633 3.787 ( -1.155 -6.829 -0.689) 6.960 4.039 ( -5.266 -0.524 -0.434) 5.310 5.147 ( -0.252 -0.598 0.175) 0.673 5.278 ( 0.441 0.438 -0.425) 0.753 5.337 ( 0.952 -0.033 0.376) 1.024 5.420 ( 0.469 0.858 0.420) 1.064 5.853 ( 0.229 0.101 -0.056) 0.257 5.906 ( -0.079 -0.375 -0.118) 0.400 7.442 ( 0.857 1.653 0.021) 1.862 7.484 ( -1.369 -2.095 0.111) 2.505 7.594 ( -0.343 0.611 -0.975) 1.200 7.614 ( -0.465 0.643 0.396) 0.887 7.640 ( -1.056 -1.438 -0.312) 1.812 7.715 ( 1.358 0.657 -1.869) 2.402 ======================= Grid point 176 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -5.658 4.794 0.927) 7.474 1.401 ( -1.735 -1.931 0.609) 2.666 1.654 ( -6.535 15.313 -0.301) 16.652 2.067 ( 1.397 -1.754 -0.617) 2.325 2.364 ( 7.952 -5.805 -0.615) 9.865 2.433 ( 5.653 -15.680 0.569) 16.677 2.649 ( -2.275 4.247 -0.040) 4.819 2.830 ( 2.578 0.662 -0.333) 2.682 2.834 ( -1.611 -3.074 -1.534) 3.795 3.471 ( -6.169 11.191 -0.445) 12.786 3.764 ( -3.054 1.004 -0.015) 3.215 4.075 ( 3.353 -6.233 -0.104) 7.079 5.156 ( 0.256 -1.170 0.097) 1.202 5.278 ( 0.487 1.054 -0.473) 1.254 5.348 ( -0.006 -0.280 0.384) 0.476 5.411 ( -0.394 1.277 0.015) 1.337 5.865 ( 1.360 0.088 -0.028) 1.363 5.904 ( -0.617 -0.501 0.105) 0.802 7.436 ( -0.276 0.643 -0.031) 0.701 7.490 ( 0.283 -1.200 0.119) 1.239 7.588 ( 0.513 0.599 0.184) 0.810 7.603 ( -0.682 -0.119 0.274) 0.744 7.636 ( -1.032 -1.313 0.115) 1.674 7.719 ( 1.238 1.172 -1.608) 2.344 ======================= Grid point 177 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -8.919 0.940 0.532) 8.984 1.271 ( -13.989 -1.533 -0.547) 14.084 1.583 ( 10.789 10.608 -0.463) 15.138 2.093 ( -2.657 -5.991 -0.609) 6.583 2.399 ( -4.389 -5.576 -1.110) 7.183 2.538 ( -9.748 -4.246 0.042) 10.633 2.780 ( 8.014 -6.054 0.335) 10.050 2.836 ( 7.960 -0.376 -1.037) 8.036 2.876 ( 4.265 -0.008 -0.479) 4.292 3.258 ( -4.199 11.824 -0.211) 12.550 3.713 ( -0.301 3.759 0.197) 3.776 4.178 ( 1.937 -5.057 0.434) 5.433 5.173 ( 0.383 -1.150 -0.074) 1.214 5.268 ( -0.058 1.188 -0.332) 1.235 5.345 ( -0.724 -0.130 0.093) 0.742 5.389 ( -1.112 0.533 -0.082) 1.236 5.884 ( 0.315 0.186 0.062) 0.371 5.902 ( 0.418 -0.343 0.185) 0.572 7.421 ( -1.609 -0.702 0.054) 1.756 7.515 ( 2.097 0.416 0.106) 2.141 7.590 ( -0.531 0.070 1.437) 1.533 7.609 ( 1.174 -0.335 0.400) 1.285 7.631 ( -1.203 -1.518 -0.037) 1.937 7.718 ( 1.139 1.457 -1.241) 2.227 ======================= Grid point 185 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -10.769 0.000 0.464) 10.779 1.384 ( 2.237 -0.000 1.112) 2.498 1.909 ( -9.786 0.000 -0.393) 9.794 2.026 ( -7.519 0.000 -0.234) 7.522 2.144 ( 2.018 -0.000 -1.181) 2.338 2.359 ( 23.853 -0.000 0.531) 23.859 2.710 ( -5.814 0.000 0.142) 5.816 2.782 ( -1.742 0.000 -2.087) 2.718 2.842 ( 3.907 -0.000 -0.140) 3.909 3.603 ( -11.757 0.000 -0.359) 11.763 3.763 ( 6.528 -0.000 -0.244) 6.533 4.000 ( 0.974 -0.000 -0.235) 1.002 5.144 ( 0.249 -0.000 0.104) 0.269 5.289 ( 0.747 -0.000 -0.542) 0.923 5.343 ( -0.335 0.000 0.507) 0.608 5.424 ( -0.635 0.000 0.083) 0.640 5.866 ( 1.387 -0.000 -0.011) 1.387 5.899 ( -0.581 0.000 0.148) 0.600 7.442 ( -2.034 0.000 -0.004) 2.034 7.479 ( 2.220 -0.000 0.021) 2.221 7.591 ( 0.364 -0.000 -0.403) 0.543 7.612 ( -1.154 0.000 0.442) 1.235 7.615 ( -0.707 0.000 0.489) 0.859 7.731 ( 1.327 -0.000 -1.790) 2.229 ======================= Grid point 186 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -14.012 -0.976 0.431) 14.053 1.317 ( -10.027 3.768 -0.171) 10.713 1.773 ( 4.007 9.745 -0.728) 10.562 1.952 ( -7.839 -8.748 -0.436) 11.755 2.232 ( 2.377 -7.122 -1.675) 7.693 2.554 ( -10.460 2.443 -0.037) 10.741 2.691 ( 4.935 -3.348 0.122) 5.965 2.818 ( 15.337 -0.859 -1.311) 15.417 2.890 ( 2.479 0.698 -0.303) 2.593 3.410 ( -7.962 4.107 0.167) 8.961 3.811 ( 2.831 5.722 -0.122) 6.386 4.065 ( 2.756 -5.874 0.104) 6.490 5.155 ( 0.594 -0.621 0.027) 0.860 5.289 ( 0.041 0.882 -0.511) 1.020 5.336 ( -1.134 -0.590 0.543) 1.389 5.401 ( -1.777 0.513 -0.146) 1.855 5.887 ( -0.578 0.121 0.299) 0.662 5.895 ( 1.552 -0.263 0.069) 1.576 7.409 ( -2.206 -0.399 -0.030) 2.242 7.521 ( 2.951 0.211 0.058) 2.959 7.594 ( -0.934 0.333 0.890) 1.332 7.602 ( 0.250 -0.455 0.148) 0.540 7.610 ( -0.314 -0.573 0.735) 0.984 7.740 ( 1.303 0.701 -1.552) 2.144 ======================= Grid point 187 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -15.081 -4.056 0.582) 15.627 1.071 ( -13.469 3.286 -0.863) 13.891 1.809 ( -0.363 -3.415 -0.942) 3.561 1.901 ( -2.580 -1.282 -1.092) 3.081 2.289 ( -1.077 -3.620 -1.893) 4.225 2.354 ( -10.765 0.045 0.464) 10.775 2.712 ( -1.705 -4.571 -0.782) 4.941 2.907 ( 1.626 1.634 -0.509) 2.360 3.130 ( 16.689 1.232 0.055) 16.735 3.314 ( 1.479 3.278 0.196) 3.602 3.784 ( 2.392 7.075 -0.037) 7.468 4.154 ( 0.961 -5.175 0.493) 5.286 5.172 ( 0.670 -0.796 -0.085) 1.044 5.271 ( -0.713 1.120 -0.309) 1.364 5.325 ( -1.380 -0.791 0.256) 1.611 5.361 ( -2.526 0.222 -0.066) 2.537 5.873 ( -1.099 -0.066 0.521) 1.218 5.925 ( 1.732 0.097 -0.065) 1.736 7.379 ( -2.275 -0.917 -0.005) 2.453 7.553 ( 0.273 0.139 0.873) 0.925 7.589 ( -1.043 -1.256 -0.146) 1.639 7.605 ( 1.547 0.490 0.834) 1.825 7.636 ( 1.753 -0.252 0.950) 2.009 7.745 ( 1.301 1.273 -1.220) 2.191 ======================= Grid point 196 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -16.244 0.000 0.867) 16.267 1.129 ( -15.361 0.000 -0.769) 15.381 1.701 ( -14.612 0.000 -1.043) 14.649 1.946 ( 9.064 -0.000 -1.432) 9.176 2.248 ( 2.798 -0.000 -1.720) 3.285 2.363 ( -11.995 0.000 0.214) 11.997 2.664 ( -1.518 0.000 -0.665) 1.657 2.924 ( 1.834 -0.000 -0.565) 1.919 3.141 ( 20.053 -0.000 -0.402) 20.057 3.338 ( -3.463 0.000 0.765) 3.547 3.885 ( 1.973 -0.000 0.003) 1.973 4.077 ( 2.629 -0.000 0.149) 2.633 5.163 ( 0.810 -0.000 0.022) 0.810 5.286 ( -0.699 0.000 -0.656) 0.958 5.312 ( -1.743 0.000 0.794) 1.915 5.366 ( -2.725 0.000 -0.131) 2.729 5.872 ( -1.121 0.000 0.583) 1.264 5.926 ( 1.866 -0.000 -0.066) 1.868 7.371 ( -2.325 0.000 -0.065) 2.326 7.555 ( -0.185 0.000 0.963) 0.980 7.574 ( -1.840 0.000 -0.073) 1.841 7.611 ( 2.829 -0.000 0.744) 2.925 7.633 ( 1.685 -0.000 0.893) 1.907 7.758 ( 1.364 -0.000 -1.370) 1.933 ======================= Grid point 197 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -14.952 -2.863 2.639) 15.451 0.851 ( -16.624 1.578 -1.205) 16.743 1.429 ( -23.813 -9.159 -1.634) 25.566 2.071 ( 8.780 2.394 -1.498) 9.223 2.231 ( -4.622 -0.066 0.974) 4.724 2.263 ( -0.216 0.417 -1.593) 1.661 2.671 ( 1.644 -1.896 -0.610) 2.582 2.949 ( 2.577 1.019 -0.846) 2.897 3.292 ( 0.088 2.547 0.841) 2.684 3.402 ( 8.724 -1.910 -0.313) 8.936 3.901 ( 5.054 5.067 -0.029) 7.157 4.133 ( 1.374 -3.085 0.246) 3.386 5.178 ( 0.750 -0.344 -0.022) 0.826 5.262 ( -1.231 0.733 -0.482) 1.511 5.293 ( -1.591 -0.978 0.641) 1.974 5.318 ( -2.931 0.217 0.043) 2.940 5.859 ( -0.836 -0.060 0.644) 1.057 5.950 ( 1.197 0.135 -0.161) 1.215 7.336 ( -2.218 -0.552 -0.052) 2.287 7.539 ( -1.892 -0.102 1.023) 2.153 7.548 ( -2.044 -1.021 0.176) 2.291 7.667 ( 1.758 -0.199 0.924) 1.996 7.673 ( 4.315 0.809 0.352) 4.404 7.769 ( 1.293 0.715 -1.219) 1.915 ======================= Grid point 207 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -9.899 0.000 8.123) 12.805 0.568 ( -18.388 0.000 -1.142) 18.423 0.944 ( -29.181 0.000 -1.761) 29.235 2.163 ( 3.100 -0.000 -0.969) 3.248 2.203 ( -0.175 0.000 1.780) 1.789 2.252 ( -1.144 0.000 -1.553) 1.929 2.748 ( 8.911 -0.000 -0.692) 8.938 2.996 ( 3.234 -0.000 -1.344) 3.502 3.284 ( -1.935 0.000 0.695) 2.056 3.444 ( -2.643 0.000 -0.062) 2.643 4.032 ( 8.045 -0.000 -0.028) 8.045 4.145 ( 1.560 -0.000 -0.071) 1.562 5.188 ( 0.547 -0.000 0.003) 0.547 5.239 ( -1.581 0.000 -0.681) 1.721 5.270 ( -1.169 0.000 0.942) 1.501 5.278 ( -2.263 0.000 0.140) 2.268 5.852 ( -0.489 0.000 0.573) 0.753 5.963 ( 0.580 -0.000 -0.271) 0.640 7.300 ( -1.884 0.000 -0.048) 1.884 7.507 ( -1.875 0.000 -0.227) 1.889 7.515 ( -1.980 0.000 1.057) 2.244 7.694 ( 1.249 -0.000 0.652) 1.409 7.746 ( 3.749 -0.000 0.255) 3.758 7.783 ( 0.777 -0.000 -1.582) 1.762 ======================= Grid point 208 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 6.003 -0.000 5.046) 7.842 0.299 ( 9.583 -0.000 5.822) 11.213 0.603 ( -1.003 0.000 11.704) 11.747 2.182 ( -0.692 0.000 -0.695) 0.980 2.202 ( 0.873 -0.000 0.485) 0.998 2.300 ( 0.912 -0.000 0.370) 0.985 3.058 ( 2.095 -0.000 1.254) 2.442 3.087 ( 4.090 -0.000 -0.345) 4.105 3.192 ( -2.194 0.000 -1.211) 2.507 3.196 ( -3.444 0.000 -0.119) 3.446 4.177 ( 0.196 -0.000 0.158) 0.252 4.193 ( 0.466 -0.000 -0.104) 0.477 5.192 ( 0.661 -0.000 -0.535) 0.850 5.199 ( 0.124 -0.000 0.160) 0.202 5.244 ( 0.178 -0.000 0.006) 0.178 5.259 ( -1.197 0.000 0.501) 1.298 5.843 ( -0.762 0.000 0.095) 0.768 5.954 ( 0.009 -0.000 -0.708) 0.708 7.266 ( 0.038 -0.000 -0.033) 0.050 7.468 ( -1.047 0.000 -0.189) 1.064 7.477 ( 0.428 -0.000 0.011) 0.428 7.706 ( -0.665 0.000 -0.233) 0.705 7.723 ( 0.090 -0.000 0.898) 0.903 7.831 ( 0.118 -0.000 0.295) 0.317 ======================= Grid point 209 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 12.903 -6.053 2.693) 14.505 0.602 ( 1.051 -2.889 9.377) 9.868 0.752 ( 22.121 -10.422 2.922) 24.627 2.171 ( -0.643 -0.064 -0.023) 0.646 2.223 ( 0.715 -1.052 0.302) 1.308 2.309 ( 0.812 0.931 0.244) 1.259 2.897 ( -9.866 8.125 -0.172) 12.782 3.060 ( -2.823 0.910 -0.174) 2.971 3.197 ( 1.647 -2.485 -0.710) 3.065 3.348 ( 8.157 -4.279 0.056) 9.212 4.140 ( -4.078 3.595 -0.086) 5.437 4.174 ( -1.128 0.196 0.137) 1.153 5.204 ( 0.192 -0.209 0.035) 0.285 5.218 ( 2.564 -0.348 -0.341) 2.609 5.240 ( -1.409 -0.293 0.475) 1.515 5.257 ( 0.815 -0.766 -0.071) 1.121 5.832 ( -0.704 -0.277 0.108) 0.765 5.949 ( -0.067 0.188 -0.681) 0.709 7.278 ( 1.144 -0.623 -0.038) 1.303 7.464 ( 0.416 -0.374 0.046) 0.561 7.498 ( 1.625 -0.751 -0.021) 1.790 7.691 ( -1.247 -0.139 -0.157) 1.264 7.736 ( 0.593 0.090 0.241) 0.646 7.812 ( -1.650 1.374 0.171) 2.154 ======================= Grid point 210 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 1.755 -2.959 7.273) 8.045 0.781 ( 12.174 -5.694 1.666) 13.542 1.260 ( 23.911 -13.201 0.509) 27.318 2.159 ( -1.175 1.121 0.183) 1.634 2.229 ( -3.022 -2.091 -0.074) 3.676 2.300 ( 0.769 2.907 0.247) 3.017 2.714 ( -3.647 4.495 -0.611) 5.821 2.993 ( -3.493 1.272 -0.770) 3.797 3.239 ( 0.629 -1.616 0.105) 1.737 3.456 ( 1.885 -0.281 -0.031) 1.906 3.998 ( -8.037 4.912 -0.276) 9.423 4.163 ( 0.081 0.114 0.481) 0.501 5.208 ( -0.155 -0.193 0.031) 0.249 5.227 ( -0.740 -0.553 0.302) 0.972 5.270 ( 3.414 -0.518 -0.111) 3.455 5.281 ( 1.028 -1.138 -0.190) 1.545 5.829 ( -0.134 -0.481 0.171) 0.528 5.941 ( -0.213 0.304 -0.575) 0.684 7.310 ( 1.774 -1.071 -0.052) 2.072 7.488 ( 1.671 -0.704 0.574) 1.902 7.538 ( 2.265 -1.054 -0.139) 2.502 7.669 ( -1.372 0.187 0.193) 1.398 7.722 ( -2.356 1.030 0.359) 2.596 7.769 ( -0.956 1.982 -0.509) 2.258 ======================= Grid point 211 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 6.170 -5.432 3.805) 9.059 1.003 ( 8.855 -4.230 0.978) 9.862 1.730 ( 19.917 -11.371 -0.255) 22.936 2.003 ( -12.566 6.760 -0.773) 14.290 2.242 ( 3.550 -1.846 0.625) 4.050 2.325 ( 3.213 -0.964 -0.251) 3.364 2.700 ( 3.586 0.350 -0.891) 3.712 2.926 ( -3.005 0.895 -0.761) 3.226 3.223 ( -3.929 1.370 0.491) 4.190 3.404 ( -5.685 4.128 -0.132) 7.026 3.821 ( -7.822 3.801 -0.294) 8.702 4.186 ( 1.919 -0.654 0.852) 2.199 5.199 ( -1.166 -0.615 0.076) 1.321 5.233 ( 0.944 0.175 -0.021) 0.961 5.305 ( 0.777 -1.195 -0.302) 1.457 5.329 ( 3.094 -0.585 -0.034) 3.149 5.839 ( 0.622 -0.484 0.216) 0.817 5.931 ( -0.479 0.274 -0.403) 0.683 7.351 ( 2.020 -1.305 -0.047) 2.405 7.530 ( 2.108 -0.647 1.027) 2.433 7.583 ( 2.197 -1.074 -0.314) 2.466 7.648 ( -1.282 0.626 0.759) 1.616 7.656 ( -3.599 1.759 0.594) 4.049 7.740 ( -0.448 1.787 -0.885) 2.044 ======================= Grid point 212 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 5.064 -4.189 1.462) 6.733 1.171 ( 8.272 -4.763 0.487) 9.557 1.695 ( -15.412 8.300 -0.820) 17.524 2.054 ( 8.847 -5.300 -1.040) 10.365 2.361 ( 8.030 -0.651 0.598) 8.078 2.435 ( 7.922 -7.053 -0.561) 10.621 2.777 ( 6.011 -0.749 -1.029) 6.144 2.873 ( -2.493 0.886 -0.690) 2.734 3.074 ( -10.770 5.003 0.362) 11.881 3.229 ( -8.902 6.047 0.019) 10.762 3.708 ( -3.234 1.085 0.047) 3.411 4.229 ( 1.807 -0.358 1.053) 2.122 5.187 ( -1.042 -0.560 -0.154) 1.193 5.247 ( 1.088 0.504 -0.035) 1.200 5.322 ( 0.220 -1.161 -0.491) 1.279 5.374 ( 1.947 -0.210 -0.001) 1.958 5.858 ( 1.160 -0.343 0.140) 1.218 5.918 ( -0.741 0.099 -0.170) 0.767 7.396 ( 2.047 -1.315 0.006) 2.434 7.551 ( -1.518 0.954 0.389) 1.834 7.604 ( 0.321 0.657 1.416) 1.594 7.620 ( 1.319 -0.980 -0.551) 1.734 7.639 ( -0.246 0.492 1.456) 1.557 7.710 ( -0.708 1.720 -0.964) 2.095 ======================= Grid point 213 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.997 0.544 1.025) 2.310 1.361 ( -10.478 5.277 -0.960) 11.771 1.404 ( 8.082 -4.453 0.071) 9.228 2.124 ( -0.529 -0.290 -1.480) 1.598 2.433 ( 0.583 1.570 0.503) 1.749 2.633 ( -2.145 0.123 -0.057) 2.149 2.783 ( 0.187 -1.059 -1.214) 1.622 2.860 ( 1.509 1.515 -1.441) 2.579 2.921 ( -1.620 -1.701 0.404) 2.383 3.092 ( 1.471 2.671 0.471) 3.086 3.683 ( -0.067 -0.221 0.263) 0.350 4.251 ( 0.349 0.625 1.115) 1.325 5.177 ( -0.592 -0.458 -0.302) 0.807 5.256 ( 0.596 0.427 0.003) 0.733 5.327 ( -0.431 -0.822 -0.574) 1.091 5.390 ( 0.200 0.403 0.027) 0.450 5.879 ( 0.765 -0.217 -0.068) 0.798 5.907 ( -0.251 -0.124 0.086) 0.292 7.430 ( 0.328 -0.144 0.069) 0.365 7.514 ( -0.445 0.138 0.149) 0.489 7.630 ( -0.113 -0.001 1.031) 1.037 7.633 ( 1.622 0.549 1.027) 1.997 7.645 ( -0.045 0.450 0.527) 0.695 7.685 ( 0.156 0.475 -0.841) 0.979 ======================= Grid point 214 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -9.812 5.028 1.427) 11.118 1.093 ( -10.432 6.381 0.468) 12.238 1.679 ( 13.689 -8.084 -0.778) 15.917 2.023 ( -10.919 5.209 -0.914) 12.133 2.366 ( -4.265 6.487 0.584) 7.785 2.386 ( -11.520 3.804 -0.469) 12.141 2.773 ( -4.280 2.933 -1.139) 5.312 2.871 ( 2.521 -0.224 -0.698) 2.625 3.065 ( 8.352 -9.868 0.270) 12.931 3.230 ( 11.245 -1.615 0.082) 11.360 3.708 ( 2.641 -1.001 0.060) 2.825 4.239 ( -1.195 1.575 1.049) 2.238 5.174 ( -0.087 -0.456 -0.254) 0.529 5.257 ( -0.038 0.261 -0.007) 0.264 5.319 ( -1.011 -0.452 -0.473) 1.204 5.373 ( -1.441 1.022 0.108) 1.770 5.879 ( -0.626 -0.096 0.088) 0.639 5.919 ( 1.114 -0.329 -0.128) 1.169 7.402 ( -2.057 1.416 0.011) 2.497 7.549 ( 2.581 -1.558 0.246) 3.025 7.613 ( -1.460 1.785 -0.639) 2.393 7.627 ( -0.580 0.203 1.401) 1.530 7.665 ( 1.318 0.086 1.335) 1.878 7.701 ( 1.544 -0.756 -0.706) 1.858 ======================= Grid point 215 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -10.826 5.706 4.170) 12.929 0.881 ( -11.001 6.459 1.071) 12.802 1.651 ( -22.056 13.403 0.013) 25.809 1.957 ( 12.396 -6.633 -0.720) 14.077 2.243 ( -2.929 2.255 -0.465) 3.726 2.277 ( -3.206 1.875 0.838) 3.807 2.691 ( -2.399 1.194 -0.926) 2.835 2.911 ( 2.763 -0.592 -0.805) 2.938 3.243 ( 4.375 -4.434 0.395) 6.242 3.398 ( 6.091 -2.892 -0.103) 6.743 3.801 ( 7.102 -2.976 -0.299) 7.706 4.202 ( -1.592 1.885 0.840) 2.606 5.179 ( 0.172 -0.495 -0.108) 0.535 5.250 ( -0.511 0.318 -0.036) 0.603 5.300 ( -1.508 -0.305 -0.255) 1.559 5.333 ( -2.053 1.382 0.208) 2.484 5.870 ( -0.576 0.056 0.210) 0.616 5.938 ( 0.906 -0.426 -0.393) 1.075 7.354 ( -2.116 1.460 -0.045) 2.571 7.564 ( -1.983 1.523 -0.228) 2.511 7.577 ( -1.197 0.658 0.640) 1.508 7.654 ( 2.931 -2.021 0.534) 3.600 7.689 ( 1.123 -0.031 0.802) 1.380 7.731 ( 1.626 -0.641 -0.841) 1.939 ======================= Grid point 216 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -5.061 2.516 8.783) 10.444 0.621 ( -13.870 7.622 1.790) 15.928 1.135 ( -24.418 17.129 0.866) 29.840 2.150 ( 6.327 -1.200 -0.424) 6.454 2.204 ( -1.302 -0.971 -0.083) 1.627 2.247 ( 0.119 0.702 1.138) 1.342 2.700 ( 3.979 -3.360 -0.626) 5.245 2.962 ( 3.242 -0.725 -0.976) 3.463 3.290 ( -0.431 0.158 0.011) 0.459 3.453 ( -1.365 -0.199 0.006) 1.379 3.967 ( 8.163 -5.007 -0.296) 9.581 4.175 ( -0.101 1.329 0.486) 1.419 5.186 ( 0.100 -0.545 -0.033) 0.556 5.234 ( -0.941 0.749 -0.103) 1.207 5.274 ( -1.953 -0.319 -0.028) 1.979 5.295 ( -1.114 1.248 0.268) 1.694 5.862 ( -0.422 0.194 0.192) 0.502 5.951 ( 0.469 -0.382 -0.557) 0.822 7.310 ( -1.814 1.165 -0.047) 2.156 7.517 ( -1.916 1.236 -0.209) 2.290 7.541 ( -2.343 0.950 0.477) 2.572 7.707 ( 0.688 -0.106 0.422) 0.814 7.726 ( 2.366 -1.706 -0.144) 2.921 7.755 ( 1.726 -0.534 -0.630) 1.913 ======================= Grid point 217 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -11.722 7.318 3.891) 14.356 0.506 ( -7.281 5.643 8.664) 12.646 0.620 ( -15.903 12.816 5.421) 21.131 2.189 ( 0.735 0.625 0.346) 1.025 2.201 ( -0.557 0.042 -0.673) 0.875 2.270 ( 1.652 -0.529 1.135) 2.073 2.871 ( 10.227 -7.056 -0.199) 12.426 3.015 ( 3.406 -0.033 -0.496) 3.443 3.250 ( -2.790 1.430 -0.546) 3.182 3.361 ( -7.652 3.492 0.067) 8.412 4.119 ( 4.843 -4.438 -0.083) 6.569 4.177 ( 1.248 1.066 0.162) 1.649 5.191 ( -0.160 -0.670 -0.174) 0.711 5.208 ( -0.779 1.119 -0.172) 1.374 5.251 ( -1.040 0.004 0.058) 1.041 5.275 ( -0.760 0.599 0.402) 1.048 5.853 ( -0.513 0.185 0.131) 0.561 5.955 ( 0.151 -0.209 -0.659) 0.707 7.278 ( -1.105 0.646 -0.034) 1.280 7.483 ( -1.021 0.536 -0.078) 1.156 7.498 ( -2.023 0.722 0.009) 2.148 7.714 ( 0.212 0.379 0.075) 0.441 7.732 ( -1.037 0.047 -0.490) 1.148 7.804 ( 2.171 -1.181 0.311) 2.491 ======================= Grid point 219 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.600 -0.000 8.440) 8.461 0.739 ( 16.398 -0.000 1.508) 16.467 1.118 ( 26.057 -0.000 0.707) 26.067 2.171 ( 0.690 -0.000 0.584) 0.904 2.203 ( -3.235 0.000 -0.371) 3.256 2.332 ( 1.148 -0.000 -0.251) 1.175 2.763 ( -8.418 0.000 -0.390) 8.427 3.007 ( -3.692 0.000 -0.530) 3.730 3.224 ( 2.608 -0.000 0.017) 2.608 3.440 ( 3.218 -0.000 -0.213) 3.225 4.058 ( -7.221 0.000 0.420) 7.233 4.156 ( -1.518 0.000 0.106) 1.521 5.202 ( -0.791 0.000 0.258) 0.832 5.222 ( -0.176 0.000 0.169) 0.244 5.264 ( 3.168 -0.000 -0.368) 3.189 5.273 ( 1.775 -0.000 -0.047) 1.776 5.824 ( -0.109 0.000 0.136) 0.174 5.944 ( -0.274 0.000 -0.579) 0.641 7.300 ( 1.851 -0.000 -0.067) 1.852 7.481 ( 1.760 -0.000 0.571) 1.850 7.528 ( 2.390 -0.000 0.147) 2.394 7.670 ( -1.286 0.000 0.257) 1.311 7.731 ( -1.860 0.000 0.225) 1.873 7.789 ( -1.463 0.000 -0.394) 1.515 ======================= Grid point 220 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 5.775 -1.639 5.224) 7.958 0.992 ( 14.590 1.507 1.048) 14.705 1.534 ( 20.418 -7.508 -0.165) 21.755 2.085 ( -10.038 2.065 -1.262) 10.325 2.217 ( 4.402 -0.904 0.497) 4.521 2.336 ( 0.886 1.281 -0.380) 1.603 2.693 ( -0.204 -0.692 -0.183) 0.745 2.946 ( -2.788 0.884 -0.752) 3.020 3.255 ( 0.980 1.866 0.416) 2.148 3.402 ( -8.604 -2.146 -0.406) 8.877 3.936 ( -4.841 5.970 0.522) 7.704 4.146 ( -0.994 -2.904 0.482) 3.107 5.185 ( -1.546 -0.568 0.257) 1.667 5.235 ( 1.373 -0.050 -0.090) 1.377 5.291 ( 1.192 -0.271 -0.368) 1.276 5.325 ( 3.551 0.010 0.021) 3.551 5.831 ( 0.694 -0.262 0.189) 0.765 5.934 ( -0.668 0.078 -0.415) 0.790 7.334 ( 2.143 -0.510 -0.105) 2.205 7.522 ( 2.466 -0.234 1.128) 2.721 7.569 ( 2.355 -0.378 0.146) 2.390 7.653 ( -1.018 0.119 0.780) 1.288 7.679 ( -4.074 0.618 0.516) 4.152 7.767 ( -0.617 0.860 -1.001) 1.457 ======================= Grid point 221 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 8.850 -2.755 2.366) 9.566 1.172 ( 10.776 3.989 0.757) 11.516 1.810 ( -6.731 0.829 -1.096) 6.870 1.916 ( 5.353 -5.154 -0.785) 7.472 2.315 ( 2.948 -4.852 -1.155) 5.793 2.382 ( 8.730 1.818 0.485) 8.931 2.739 ( 3.098 -2.758 -0.315) 4.160 2.898 ( -1.581 1.469 -0.595) 2.238 3.119 ( -15.773 1.985 -0.084) 15.898 3.321 ( -1.124 1.371 0.260) 1.791 3.805 ( -2.734 8.712 0.281) 9.135 4.179 ( -0.315 -4.754 0.891) 4.847 5.169 ( -1.449 -0.991 0.037) 1.756 5.259 ( 1.639 0.427 -0.137) 1.700 5.307 ( 0.688 -0.387 -0.397) 0.884 5.374 ( 2.599 0.213 0.012) 2.608 5.851 ( 1.232 -0.384 0.171) 1.301 5.918 ( -1.067 -0.025 -0.211) 1.088 7.375 ( 2.228 -0.897 -0.102) 2.404 7.560 ( 0.191 0.160 0.815) 0.852 7.606 ( 1.495 -0.531 -0.028) 1.587 7.618 ( -1.694 0.681 1.180) 2.174 7.646 ( -0.255 0.269 1.391) 1.440 7.740 ( -0.717 1.377 -1.292) 2.020 ======================= Grid point 222 (100/227) ======================= q-point: (-0.60 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 5.010 1.475 1.096) 5.337 1.306 ( 8.871 -0.676 -0.063) 8.897 1.554 ( -9.884 10.570 -0.800) 14.494 2.073 ( 1.772 -4.820 -1.029) 5.237 2.437 ( 4.400 -8.154 -0.612) 9.285 2.524 ( 8.316 -1.602 -0.132) 8.470 2.774 ( -15.097 -3.165 0.418) 15.431 2.836 ( -0.568 -0.125 -0.863) 1.040 2.881 ( -3.439 -0.074 -0.632) 3.498 3.288 ( 4.784 11.200 0.227) 12.181 3.718 ( -0.150 4.478 0.257) 4.488 4.215 ( -1.375 -4.407 1.010) 4.726 5.158 ( -1.142 -1.260 -0.194) 1.711 5.273 ( 1.092 1.096 -0.074) 1.549 5.316 ( 0.198 -0.373 -0.438) 0.608 5.400 ( 1.011 0.610 0.002) 1.181 5.875 ( 1.052 -0.257 -0.001) 1.083 5.902 ( -0.880 -0.378 0.045) 0.958 7.418 ( 1.871 -0.916 -0.037) 2.084 7.522 ( -2.547 0.569 0.183) 2.616 7.625 ( 0.423 -0.461 -0.010) 0.626 7.638 ( 1.710 0.240 1.975) 2.624 7.654 ( 0.665 0.381 1.257) 1.472 7.707 ( -0.751 1.548 -1.439) 2.243 ======================= Grid point 223 (101/227) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -4.457 7.064 0.922) 8.404 1.263 ( -6.799 9.603 -0.381) 11.773 1.559 ( 13.193 -2.911 -0.067) 13.510 2.056 ( -6.220 -0.348 -1.147) 6.335 2.404 ( -11.930 0.266 0.045) 11.933 2.533 ( -4.844 7.535 0.502) 8.972 2.775 ( 8.091 -17.995 -0.322) 19.733 2.798 ( -5.075 0.644 -0.663) 5.158 2.888 ( 1.845 -0.239 -1.220) 2.225 3.309 ( 8.906 8.956 0.289) 12.633 3.724 ( 4.460 2.017 -0.019) 4.894 4.221 ( -2.984 -3.423 0.949) 4.639 5.155 ( -0.632 -1.410 -0.303) 1.574 5.274 ( 0.448 1.280 0.026) 1.357 5.314 ( -0.445 -0.018 -0.382) 0.587 5.394 ( -0.631 1.201 0.046) 1.357 5.877 ( -0.548 -0.031 0.072) 0.553 5.909 ( 0.784 -0.743 -0.056) 1.082 7.426 ( -1.235 1.027 0.063) 1.608 7.516 ( 1.459 -1.777 0.125) 2.303 7.629 ( -0.323 0.157 0.204) 0.413 7.651 ( -0.752 1.596 0.479) 1.828 7.665 ( 0.788 0.380 0.659) 1.095 7.694 ( 1.297 -0.062 -0.185) 1.312 ======================= Grid point 224 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -9.465 8.957 2.271) 13.228 1.079 ( -4.339 13.661 0.661) 14.349 1.789 ( -0.669 -2.869 -0.154) 2.950 1.871 ( -2.928 2.083 -0.270) 3.603 2.261 ( -5.031 -1.232 -0.458) 5.200 2.384 ( -3.985 9.997 0.934) 10.802 2.703 ( -4.792 0.557 -1.020) 4.930 2.912 ( 2.477 0.285 -1.144) 2.744 3.073 ( 8.900 -14.738 0.161) 17.217 3.362 ( 2.692 1.340 0.158) 3.012 3.811 ( 8.515 2.635 -0.562) 8.931 4.197 ( -3.733 -2.511 0.758) 4.562 5.160 ( -0.127 -1.354 -0.282) 1.389 5.267 ( 0.141 1.301 0.136) 1.316 5.299 ( -1.230 0.199 -0.211) 1.264 5.363 ( -1.489 1.746 0.169) 2.301 5.870 ( -0.386 0.035 0.236) 0.454 5.927 ( 0.666 -0.762 -0.341) 1.068 7.385 ( -1.910 1.729 0.041) 2.576 7.570 ( 1.695 -1.671 0.256) 2.394 7.601 ( -1.564 1.848 -0.953) 2.602 7.630 ( -0.091 0.223 0.692) 0.733 7.681 ( 0.535 -0.727 0.636) 1.104 7.723 ( 1.816 -0.265 -0.288) 1.858 ======================= Grid point 225 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -6.176 7.136 5.962) 11.163 0.854 ( -7.283 15.770 1.290) 17.419 1.459 ( -16.681 16.377 0.454) 23.381 2.068 ( 8.235 -6.944 -0.250) 10.775 2.220 ( -0.910 1.343 0.059) 1.623 2.278 ( -1.503 3.397 1.078) 3.867 2.645 ( -1.524 -1.618 -0.764) 2.350 2.948 ( 2.504 -0.756 -1.251) 2.899 3.286 ( 5.041 -2.481 0.447) 5.636 3.384 ( -0.713 -5.986 -0.127) 6.029 3.917 ( 6.338 -0.085 -0.796) 6.388 4.171 ( -1.835 -1.775 0.359) 2.578 5.171 ( 0.200 -0.998 -0.256) 1.049 5.255 ( -0.261 1.434 0.140) 1.464 5.272 ( -1.476 0.255 0.085) 1.500 5.324 ( -1.265 1.835 0.343) 2.255 5.866 ( -0.230 0.242 0.258) 0.422 5.940 ( 0.370 -0.736 -0.532) 0.980 7.339 ( -1.692 1.856 0.014) 2.511 7.548 ( -1.652 2.109 -0.846) 2.809 7.565 ( -1.646 1.556 0.359) 2.293 7.674 ( 2.134 -3.086 0.166) 3.756 7.701 ( 0.713 -1.057 0.592) 1.405 7.748 ( 1.348 -0.274 -0.947) 1.670 ======================= Grid point 226 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -2.046 3.899 9.188) 10.188 0.606 ( -4.538 15.766 3.005) 16.679 1.026 ( -12.701 25.536 1.073) 28.541 2.179 ( 0.876 -2.086 0.039) 2.263 2.217 ( 1.568 1.252 0.186) 2.015 2.260 ( -0.255 -0.353 0.954) 1.049 2.711 ( 4.311 -8.001 0.150) 9.090 2.993 ( 2.274 -2.058 -1.401) 3.372 3.288 ( -1.521 2.238 -0.553) 2.762 3.420 ( -1.107 0.798 0.516) 1.459 4.016 ( 3.240 -6.088 -0.440) 6.910 4.176 ( 0.527 -0.872 -0.181) 1.035 5.181 ( 0.457 -0.412 -0.347) 0.707 5.230 ( -1.153 1.024 0.023) 1.542 5.257 ( -0.127 0.924 0.311) 0.983 5.294 ( -0.968 1.396 0.533) 1.780 5.859 ( -0.397 0.406 0.199) 0.602 5.948 ( 0.143 -0.599 -0.637) 0.886 7.300 ( -1.063 1.684 0.000) 1.991 7.504 ( -1.267 1.636 -0.556) 2.142 7.523 ( -1.441 1.866 -0.062) 2.359 7.708 ( -0.001 -1.112 0.547) 1.239 7.734 ( 0.631 -0.632 -0.834) 1.222 7.769 ( 1.245 -1.965 -0.325) 2.349 ======================= Grid point 227 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 4.231 14.045 3.984) 15.200 0.574 ( 0.742 5.779 9.185) 10.877 0.678 ( 1.800 23.871 3.449) 24.186 2.188 ( -0.488 0.632 -0.295) 0.851 2.214 ( 0.543 0.732 0.407) 0.998 2.284 ( 0.940 -1.233 0.707) 1.705 2.869 ( 0.515 -12.669 0.858) 12.709 3.046 ( 1.976 -3.332 -1.264) 4.075 3.232 ( -1.388 3.264 -1.055) 3.700 3.348 ( -0.548 8.512 0.563) 8.549 4.112 ( 0.784 -6.634 0.010) 6.681 4.187 ( -0.257 -0.668 -0.335) 0.790 5.192 ( 1.134 0.105 -0.518) 1.251 5.210 ( -0.325 0.740 0.100) 0.815 5.250 ( 0.229 0.929 0.144) 0.968 5.270 ( -1.022 1.041 0.586) 1.572 5.847 ( -0.723 0.430 0.137) 0.852 5.950 ( 0.016 -0.400 -0.694) 0.801 7.277 ( 0.023 1.239 -0.018) 1.239 7.474 ( -0.789 0.836 -0.240) 1.174 7.494 ( 0.180 1.623 -0.228) 1.649 7.713 ( -1.051 -0.347 0.137) 1.115 7.725 ( 0.433 0.783 -0.421) 0.989 7.806 ( 0.024 -2.524 0.261) 2.538 ======================= Grid point 230 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 9.385 -0.000 2.840) 9.805 1.234 ( 12.468 -0.000 0.878) 12.499 1.744 ( 11.103 -0.000 -0.421) 11.111 1.920 ( -9.835 0.000 -1.806) 10.000 2.267 ( -0.661 0.000 -1.055) 1.245 2.405 ( 9.793 -0.000 0.376) 9.800 2.707 ( 2.187 -0.000 0.078) 2.188 2.913 ( -1.637 0.000 -0.643) 1.759 3.142 ( -19.531 0.000 -0.494) 19.538 3.321 ( 4.601 -0.000 0.548) 4.633 3.928 ( -2.258 0.000 0.676) 2.357 4.101 ( -1.913 0.000 0.537) 1.986 5.159 ( -1.482 0.000 0.099) 1.485 5.261 ( 1.856 -0.000 -0.123) 1.860 5.305 ( 0.831 -0.000 -0.346) 0.900 5.377 ( 2.797 -0.000 0.019) 2.797 5.847 ( 1.251 -0.000 0.184) 1.265 5.918 ( -1.181 0.000 -0.222) 1.201 7.366 ( 2.261 -0.000 -0.148) 2.266 7.561 ( 0.777 -0.000 0.981) 1.251 7.601 ( 1.551 -0.000 0.126) 1.556 7.625 ( -2.342 0.000 1.092) 2.584 7.649 ( -0.239 0.000 1.369) 1.390 7.754 ( -0.740 0.000 -1.391) 1.576 ======================= Grid point 231 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 9.505 -0.506 1.249) 9.600 1.348 ( 2.874 2.964 0.170) 4.132 1.750 ( -1.338 10.552 -0.953) 10.679 1.950 ( 7.092 -8.632 -0.531) 11.185 2.244 ( -2.493 -6.991 -1.398) 7.553 2.570 ( 8.993 2.722 0.059) 9.396 2.709 ( -10.776 -2.724 0.631) 11.133 2.843 ( -8.662 0.062 -1.129) 8.736 2.883 ( -2.178 0.232 -0.338) 2.217 3.420 ( 8.996 3.153 0.314) 9.538 3.842 ( -3.400 7.193 0.352) 7.963 4.107 ( -2.187 -6.067 0.746) 6.492 5.139 ( -1.232 -0.584 -0.104) 1.368 5.287 ( 1.479 0.349 -0.113) 1.524 5.313 ( 0.340 -0.016 -0.247) 0.421 5.410 ( 1.431 0.352 -0.004) 1.473 5.870 ( 1.281 -0.210 0.093) 1.302 5.897 ( -1.288 -0.127 -0.015) 1.294 7.404 ( 2.221 -0.456 -0.133) 2.271 7.531 ( -3.122 0.260 0.196) 3.139 7.618 ( 0.547 -0.211 0.096) 0.594 7.642 ( 1.918 0.124 1.901) 2.703 7.659 ( 0.519 0.113 1.549) 1.637 7.730 ( -0.799 0.733 -1.730) 2.042 ======================= Grid point 232 (108/227) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.875 5.541 0.622) 5.644 1.324 ( -1.808 -1.783 -0.648) 2.621 1.681 ( 8.232 14.656 0.243) 16.811 2.042 ( -1.357 -0.858 -1.130) 1.964 2.383 ( -14.103 -3.034 0.013) 14.425 2.409 ( 0.595 -18.145 -0.069) 18.155 2.656 ( 2.915 4.579 0.023) 5.428 2.818 ( -3.338 1.169 -0.310) 3.550 2.866 ( 1.725 -2.003 -1.141) 2.879 3.507 ( 6.968 10.711 0.087) 12.778 3.764 ( 1.949 2.158 0.005) 2.907 4.125 ( -3.435 -6.333 0.676) 7.236 5.130 ( -0.691 -1.057 -0.258) 1.289 5.296 ( 0.513 0.996 -0.002) 1.120 5.315 ( -0.052 0.013 -0.173) 0.181 5.415 ( -0.051 0.930 0.038) 0.932 5.878 ( -0.601 0.063 0.097) 0.612 5.895 ( 0.708 -0.732 -0.014) 1.018 7.436 ( 0.880 0.118 -0.032) 0.889 7.492 ( -1.046 -0.709 0.137) 1.271 7.627 ( 0.264 -0.261 0.104) 0.385 7.666 ( 0.096 0.572 1.809) 1.900 7.680 ( 1.269 0.302 0.464) 1.384 7.701 ( -0.369 0.881 -1.438) 1.726 ======================= Grid point 233 (109/227) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -7.366 9.581 1.067) 12.132 1.300 ( -1.119 7.137 0.147) 7.226 1.748 ( 9.433 3.271 0.178) 9.986 1.923 ( -10.744 2.630 -0.194) 11.063 2.203 ( -5.416 -4.640 -0.314) 7.139 2.583 ( -2.172 9.857 0.558) 10.109 2.705 ( -0.498 -6.097 0.150) 6.119 2.770 ( 6.177 -11.151 -0.793) 12.772 2.906 ( 1.802 -1.188 -1.441) 2.595 3.449 ( -1.071 7.599 0.164) 7.676 3.853 ( 7.870 1.031 -0.522) 7.954 4.122 ( -3.541 -4.979 0.382) 6.122 5.135 ( 0.066 -1.271 -0.306) 1.309 5.291 ( 0.163 1.177 0.169) 1.200 5.305 ( -0.857 0.444 -0.066) 0.968 5.394 ( -1.028 1.581 0.185) 1.895 5.871 ( -0.184 0.090 0.245) 0.320 5.912 ( 0.493 -0.895 -0.269) 1.057 7.416 ( -1.420 1.661 0.085) 2.187 7.525 ( 1.950 -2.659 0.093) 3.299 7.626 ( -0.518 0.746 -0.393) 0.990 7.654 ( -0.812 1.730 -0.102) 1.914 7.671 ( -0.138 -0.062 0.018) 0.152 7.717 ( 1.371 -0.445 0.115) 1.446 ======================= Grid point 234 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -6.078 10.400 3.311) 12.493 1.134 ( -7.288 13.078 0.994) 15.005 1.711 ( -5.202 11.522 0.144) 12.642 1.916 ( 4.951 -9.012 0.052) 10.282 2.216 ( 1.845 -1.224 -0.240) 2.227 2.408 ( -5.931 10.167 0.913) 11.806 2.654 ( -1.565 2.286 -0.497) 2.815 2.932 ( 1.184 -1.072 -1.562) 2.234 3.085 ( 10.245 -16.155 0.243) 19.132 3.372 ( -2.659 2.503 -0.054) 3.653 3.922 ( 0.399 -0.994 -0.522) 1.191 4.129 ( 1.017 -1.781 -0.325) 2.077 5.151 ( 0.785 -1.057 -0.315) 1.354 5.276 ( -1.436 0.661 -0.092) 1.583 5.288 ( 0.202 1.411 0.539) 1.524 5.360 ( -1.266 1.983 0.405) 2.387 5.871 ( 0.026 0.281 0.287) 0.403 5.924 ( 0.269 -0.984 -0.473) 1.124 7.376 ( -1.387 2.113 0.088) 2.529 7.577 ( 0.945 -1.252 -0.070) 1.570 7.591 ( -1.223 2.024 -1.089) 2.603 7.632 ( -0.036 -0.091 -0.045) 0.108 7.680 ( 0.107 -1.156 0.519) 1.272 7.740 ( 0.967 -0.707 -0.796) 1.438 ======================= Grid point 235 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -2.067 8.158 6.410) 10.579 0.894 ( -6.239 14.099 1.971) 15.543 1.484 ( -3.577 23.348 0.124) 23.621 2.072 ( 2.695 -10.305 0.106) 10.652 2.244 ( 1.409 1.510 -0.043) 2.066 2.274 ( -3.235 3.268 1.072) 4.722 2.639 ( 1.753 0.434 0.289) 1.829 2.952 ( 0.659 -2.147 -1.737) 2.839 3.306 ( -2.418 -3.318 -0.632) 4.154 3.358 ( 6.788 -4.868 0.809) 8.392 3.910 ( -3.462 -5.581 -0.420) 6.581 4.166 ( 2.452 0.356 -0.939) 2.649 5.174 ( 1.275 -0.443 -0.421) 1.414 5.244 ( -1.587 0.610 0.074) 1.702 5.285 ( 0.716 1.812 0.657) 2.056 5.324 ( -1.306 1.863 0.615) 2.356 5.867 ( -0.226 0.453 0.247) 0.563 5.934 ( 0.136 -0.907 -0.585) 1.088 7.337 ( -0.934 2.267 0.077) 2.453 7.542 ( -1.233 2.403 -1.058) 2.901 7.562 ( -0.798 2.257 -0.430) 2.432 7.670 ( 0.994 -3.249 0.120) 3.400 7.699 ( 0.243 -1.932 0.700) 2.069 7.750 ( 0.198 -0.772 -1.539) 1.733 ======================= Grid point 236 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.870 4.715 8.415) 9.685 0.736 ( 1.914 14.441 2.740) 14.823 1.206 ( 0.929 28.809 0.362) 28.827 2.179 ( 1.393 -5.275 0.707) 5.501 2.215 ( -2.388 1.195 -0.065) 2.671 2.264 ( 1.755 -0.377 0.482) 1.859 2.688 ( -0.074 -5.302 0.923) 5.382 2.983 ( 1.234 -3.330 -1.778) 3.971 3.275 ( -0.804 0.901 -0.931) 1.525 3.444 ( 0.418 1.194 0.920) 1.564 3.953 ( -0.145 -9.889 -0.291) 9.895 4.180 ( 0.164 0.273 -0.957) 1.009 5.193 ( 1.215 0.001 -0.663) 1.384 5.222 ( -0.319 0.659 0.286) 0.786 5.281 ( 0.495 2.291 0.444) 2.385 5.292 ( -1.103 1.212 0.764) 1.808 5.857 ( -0.637 0.568 0.205) 0.878 5.939 ( 0.023 -0.752 -0.650) 0.995 7.309 ( -0.015 2.089 0.041) 2.089 7.500 ( -0.785 1.985 -0.558) 2.206 7.532 ( 0.222 2.378 -0.687) 2.485 7.696 ( -0.393 -1.420 0.378) 1.521 7.726 ( -0.061 -1.719 -0.194) 1.731 7.752 ( -0.370 -2.276 -0.897) 2.474 ======================= Grid point 237 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -0.160 3.576 8.485) 9.209 0.705 ( 8.114 13.613 2.401) 16.029 1.085 ( 15.341 22.299 0.820) 27.079 2.174 ( -1.714 0.014 -0.048) 1.714 2.236 ( 1.994 -0.902 0.640) 2.280 2.289 ( -0.393 -0.644 0.431) 0.869 2.720 ( -4.396 -8.743 0.110) 9.787 3.017 ( -0.708 -3.014 -1.247) 3.338 3.255 ( 0.676 2.995 -0.568) 3.122 3.426 ( 1.150 2.111 0.512) 2.458 4.032 ( -1.794 -7.496 -0.275) 7.713 4.163 ( -1.479 -0.680 -0.304) 1.656 5.203 ( 0.231 -0.360 -0.320) 0.534 5.231 ( 2.240 0.961 -0.014) 2.438 5.255 ( -1.383 1.296 0.542) 1.971 5.282 ( 0.698 1.801 0.173) 1.939 5.841 ( -0.700 0.591 0.180) 0.933 5.942 ( -0.027 -0.556 -0.660) 0.864 7.300 ( 1.031 1.644 -0.009) 1.941 7.479 ( 0.351 1.319 -0.010) 1.365 7.523 ( 1.443 1.853 -0.515) 2.404 7.689 ( -1.382 -0.452 -0.147) 1.462 7.731 ( -0.129 -0.623 -0.082) 0.641 7.766 ( -1.352 -3.270 -0.048) 3.539 ======================= Grid point 241 (114/227) ======================= q-point: (-0.70 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 8.003 -0.000 0.463) 8.017 1.298 ( -7.348 0.000 -0.397) 7.359 1.943 ( 10.846 -0.000 0.398) 10.853 2.003 ( 7.105 -0.000 -0.685) 7.138 2.138 ( -2.529 0.000 -1.198) 2.798 2.364 ( -22.813 0.000 0.453) 22.818 2.707 ( 5.334 -0.000 -0.216) 5.339 2.831 ( 2.203 -0.000 -1.246) 2.531 2.838 ( -3.891 0.000 0.079) 3.891 3.623 ( 12.772 -0.000 -0.073) 12.772 3.794 ( -7.108 0.000 0.241) 7.113 4.044 ( -1.761 0.000 0.425) 1.811 5.120 ( -0.677 0.000 -0.228) 0.714 5.306 ( 0.621 -0.000 -0.116) 0.632 5.314 ( -0.031 0.000 0.035) 0.047 5.424 ( 0.146 -0.000 0.046) 0.153 5.879 ( -0.821 0.000 0.143) 0.834 5.887 ( 0.902 -0.000 -0.030) 0.902 7.436 ( 2.092 -0.000 -0.105) 2.095 7.487 ( -2.387 0.000 0.164) 2.393 7.624 ( 0.303 -0.000 0.184) 0.354 7.674 ( 0.305 -0.000 1.322) 1.357 7.679 ( 1.438 -0.000 1.331) 1.959 7.712 ( -0.720 0.000 -1.979) 2.106 ======================= Grid point 243 (115/227) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -6.189 6.943 0.531) 9.316 1.305 ( 2.911 -3.740 -0.093) 4.741 1.904 ( -9.271 7.471 0.950) 11.944 1.998 ( -2.756 6.031 -0.968) 6.701 2.136 ( 2.323 1.115 -0.091) 2.579 2.378 ( 11.457 -18.870 0.061) 22.076 2.735 ( -0.867 5.215 0.427) 5.304 2.761 ( -2.835 0.882 -0.493) 3.010 2.870 ( 1.815 -2.281 -1.496) 3.276 3.610 ( -6.798 8.331 0.101) 10.753 3.818 ( 4.560 -4.626 -0.281) 6.502 4.051 ( 1.619 -1.857 -0.213) 2.473 5.117 ( 0.242 -0.523 -0.286) 0.644 5.305 ( -0.471 0.301 -0.072) 0.563 5.313 ( -0.121 0.323 0.304) 0.459 5.416 ( -0.763 0.682 0.232) 1.049 5.873 ( 0.004 0.073 0.234) 0.245 5.898 ( 0.377 -0.434 -0.207) 0.610 7.446 ( -0.717 1.623 0.088) 1.777 7.481 ( 1.136 -2.043 0.042) 2.338 7.630 ( 0.162 -0.079 0.164) 0.244 7.676 ( -0.303 0.725 0.943) 1.228 7.682 ( -0.544 0.638 -2.271) 2.420 7.707 ( 0.629 -0.472 0.463) 0.913 ======================= Grid point 244 (116/227) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -5.310 9.472 2.045) 11.050 1.296 ( -5.801 4.491 0.398) 7.347 1.740 ( -6.829 -7.994 0.607) 10.531 1.928 ( 2.950 9.896 -0.433) 10.336 2.219 ( 7.903 3.457 -0.071) 8.626 2.588 ( -7.455 6.785 0.633) 10.100 2.702 ( 4.252 -0.689 0.139) 4.309 2.779 ( 8.742 -12.162 -0.383) 14.983 2.906 ( 0.980 -1.953 -1.693) 2.764 3.432 ( -7.521 3.648 0.049) 8.359 3.857 ( -4.442 -5.137 -0.320) 6.798 4.125 ( 6.136 0.760 -1.019) 6.266 5.134 ( 1.249 -0.736 -0.311) 1.482 5.285 ( -1.580 0.319 -0.067) 1.613 5.311 ( 0.404 0.940 0.649) 1.211 5.393 ( -1.128 1.419 0.497) 1.880 5.876 ( 0.313 0.333 0.255) 0.523 5.907 ( 0.152 -0.864 -0.390) 0.960 7.415 ( -0.889 2.128 0.126) 2.310 7.527 ( 1.530 -2.966 0.087) 3.339 7.624 ( -0.462 1.235 -0.723) 1.504 7.655 ( -0.565 1.473 -1.166) 1.962 7.665 ( -0.517 -0.181 0.150) 0.568 7.722 ( 0.294 -1.117 -0.531) 1.271 ======================= Grid point 245 (117/227) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -2.031 10.587 3.882) 11.458 1.106 ( -7.272 9.210 1.504) 11.831 1.808 ( 2.308 -6.555 0.035) 6.949 1.879 ( 1.485 7.867 -0.253) 8.010 2.286 ( 4.147 4.065 -0.056) 5.808 2.392 ( -6.717 8.567 0.912) 10.924 2.694 ( 1.742 4.583 0.335) 4.915 2.917 ( -0.132 -1.755 -1.955) 2.631 3.098 ( 8.998 -14.916 0.024) 17.420 3.329 ( -3.700 -1.917 0.154) 4.170 3.806 ( -6.648 -5.336 -0.519) 8.540 4.191 ( 4.027 1.833 -1.442) 4.654 5.164 ( 1.868 -0.532 -0.435) 1.991 5.253 ( -1.714 0.426 0.131) 1.771 5.314 ( 0.662 1.251 0.830) 1.640 5.361 ( -1.215 2.000 0.715) 2.447 5.876 ( -0.057 0.492 0.197) 0.533 5.916 ( 0.139 -1.001 -0.479) 1.119 7.381 ( -0.671 2.544 0.143) 2.635 7.576 ( 0.872 -2.229 -0.153) 2.399 7.589 ( -0.849 2.368 -1.304) 2.834 7.627 ( -0.476 0.583 -0.726) 1.045 7.671 ( -0.115 -1.249 0.475) 1.341 7.730 ( -0.202 -1.402 -1.441) 2.021 ======================= Grid point 246 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.599 9.636 5.298) 11.112 0.970 ( 1.270 10.624 2.178) 10.919 1.699 ( 0.315 24.065 -0.412) 24.070 1.976 ( 0.475 -14.890 0.186) 14.898 2.269 ( -0.462 4.694 0.723) 4.772 2.288 ( 0.098 3.045 0.260) 3.058 2.679 ( -0.274 3.023 0.895) 3.165 2.929 ( 0.946 -2.458 -2.019) 3.319 3.240 ( -0.607 -5.446 -0.868) 5.548 3.387 ( 1.318 -6.870 1.118) 7.084 3.783 ( -1.475 -7.589 -0.644) 7.758 4.203 ( 0.634 1.970 -1.498) 2.555 5.190 ( 0.855 -0.321 -0.704) 1.153 5.234 ( 0.182 0.619 0.413) 0.767 5.312 ( -0.740 0.987 0.856) 1.501 5.329 ( 0.028 2.698 0.738) 2.798 5.867 ( -0.538 0.568 0.196) 0.806 5.923 ( 0.007 -0.967 -0.560) 1.117 7.352 ( -0.052 2.565 0.129) 2.569 7.544 ( -0.757 2.667 -0.986) 2.942 7.576 ( 0.321 2.069 -1.120) 2.374 7.646 ( 0.007 -3.814 0.075) 3.815 7.683 ( -0.459 -1.637 0.682) 1.832 7.728 ( -0.618 -1.321 -1.779) 2.300 ======================= Grid point 247 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 2.572 7.945 5.769) 10.150 0.963 ( 8.459 13.053 1.908) 15.670 1.499 ( 4.512 21.750 0.032) 22.214 2.090 ( -1.928 -10.473 -0.008) 10.649 2.244 ( 1.966 3.657 0.812) 4.231 2.283 ( 0.035 0.097 0.325) 0.341 2.640 ( -2.087 0.255 0.164) 2.109 2.963 ( 0.674 -2.687 -1.577) 3.188 3.279 ( 1.887 -2.108 -0.656) 2.904 3.391 ( -6.355 -4.796 0.804) 8.002 3.890 ( 3.659 -7.597 -0.291) 8.437 4.164 ( -2.512 1.055 -1.067) 2.926 5.193 ( -0.226 -0.669 -0.389) 0.807 5.251 ( 2.169 1.109 0.104) 2.438 5.280 ( -1.686 1.250 0.714) 2.217 5.322 ( 1.001 2.483 0.436) 2.713 5.852 ( -0.724 0.602 0.236) 0.971 5.929 ( 0.013 -0.870 -0.611) 1.063 7.336 ( 0.814 2.249 0.063) 2.393 7.512 ( 0.105 2.167 -0.309) 2.191 7.562 ( 1.247 2.249 -1.119) 2.804 7.669 ( -1.034 -2.319 0.005) 2.539 7.690 ( -1.632 -2.924 0.537) 3.392 7.724 ( -0.261 -1.299 -1.133) 1.743 ======================= Grid point 248 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 3.575 7.063 5.202) 9.472 0.964 ( 6.701 13.464 1.212) 15.088 1.520 ( 17.626 13.349 0.245) 22.112 2.099 ( -6.270 -6.548 -0.325) 9.071 2.257 ( -2.125 1.888 0.718) 2.932 2.276 ( 3.272 0.605 0.459) 3.359 2.643 ( 1.731 -2.101 -0.851) 2.852 2.966 ( -2.102 -1.629 -1.165) 2.903 3.279 ( -2.299 2.483 0.267) 3.395 3.383 ( -1.923 -9.080 0.095) 9.282 3.934 ( -5.209 -1.540 -0.742) 5.482 4.141 ( 0.915 -2.052 0.322) 2.270 5.199 ( 0.302 -0.922 -0.249) 1.002 5.244 ( -1.334 1.182 0.569) 1.871 5.283 ( 2.745 0.942 -0.123) 2.905 5.315 ( 0.906 2.351 0.010) 2.519 5.839 ( -0.229 0.557 0.239) 0.648 5.933 ( -0.062 -0.626 -0.553) 0.837 7.337 ( 1.544 1.778 -0.004) 2.354 7.507 ( 1.329 1.389 0.451) 1.974 7.564 ( 1.991 1.757 -0.769) 2.765 7.661 ( -1.405 -0.796 0.116) 1.619 7.685 ( -3.004 -3.020 0.548) 4.294 7.732 ( -0.123 -1.737 -0.684) 1.871 ======================= Grid point 253 (121/227) ======================= q-point: (-0.60 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -5.936 0.000 2.074) 6.288 1.328 ( 1.495 -0.000 -0.707) 1.654 1.652 ( -15.829 0.000 1.276) 15.880 2.020 ( 1.739 -0.000 -0.874) 1.946 2.369 ( 9.213 -0.000 0.287) 9.217 2.457 ( 15.571 -0.000 0.248) 15.573 2.668 ( -5.843 0.000 0.425) 5.858 2.795 ( 1.524 -0.000 -0.155) 1.532 2.871 ( 1.231 -0.000 -1.956) 2.311 3.476 ( -12.758 0.000 0.212) 12.760 3.794 ( -3.102 0.000 -0.558) 3.151 4.134 ( 7.151 -0.000 -1.161) 7.245 5.127 ( 1.408 -0.000 -0.299) 1.439 5.288 ( -1.595 0.000 -0.044) 1.595 5.320 ( 0.390 -0.000 0.671) 0.776 5.407 ( -1.050 0.000 0.551) 1.186 5.881 ( 0.592 -0.000 0.239) 0.639 5.897 ( -0.048 0.000 -0.360) 0.363 7.444 ( -0.637 0.000 0.156) 0.656 7.490 ( 1.248 -0.000 0.050) 1.249 7.633 ( 0.087 -0.000 0.383) 0.393 7.664 ( -0.404 0.000 -2.668) 2.698 7.677 ( -0.579 0.000 -0.095) 0.587 7.707 ( -0.331 0.000 -0.154) 0.365 ======================= Grid point 255 (122/227) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -2.861 4.959 3.399) 6.658 1.270 ( -3.680 9.464 0.042) 10.154 1.553 ( -4.011 -13.339 0.710) 13.947 2.050 ( 4.288 4.176 -0.568) 6.012 2.417 ( 4.363 8.267 0.489) 9.360 2.546 ( -3.289 8.123 0.377) 8.772 2.778 ( 5.855 -2.287 0.315) 6.293 2.810 ( 6.235 -7.494 -0.617) 9.768 2.898 ( 2.567 -2.266 -1.687) 3.817 3.274 ( -12.438 -2.934 0.437) 12.787 3.736 ( -4.566 -1.949 -0.967) 5.058 4.218 ( 4.356 0.879 -1.595) 4.722 5.156 ( 2.139 -0.266 -0.409) 2.194 5.259 ( -1.793 0.133 0.149) 1.805 5.330 ( 0.416 0.430 0.852) 1.041 5.389 ( -0.968 0.886 0.846) 1.561 5.886 ( 0.108 0.578 0.059) 0.591 5.899 ( 0.093 -0.802 -0.325) 0.870 7.427 ( -0.329 2.072 0.159) 2.104 7.520 ( 0.743 -2.585 0.152) 2.694 7.628 ( -0.170 1.521 -0.815) 1.734 7.651 ( 0.091 0.086 -2.205) 2.209 7.655 ( -1.051 0.563 0.222) 1.213 7.702 ( -0.710 -1.434 -1.096) 1.940 ======================= Grid point 256 (123/227) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.429 8.597 3.807) 9.711 1.142 ( 0.554 9.548 1.199) 9.639 1.679 ( 0.231 -16.642 0.249) 16.645 2.035 ( 1.152 10.700 -0.732) 10.787 2.375 ( -1.173 5.837 1.080) 6.051 2.414 ( -0.171 11.976 -0.074) 11.977 2.761 ( -0.443 5.378 0.661) 5.436 2.890 ( 0.743 -2.159 -2.146) 3.134 3.069 ( -0.441 -12.178 -0.856) 12.216 3.222 ( 0.774 -9.960 1.214) 10.064 3.694 ( -1.497 -2.377 -1.085) 3.011 4.239 ( 0.814 1.665 -1.728) 2.534 5.183 ( 0.637 -0.368 -0.647) 0.980 5.243 ( 0.425 0.275 0.426) 0.661 5.327 ( -0.983 0.588 0.873) 1.440 5.373 ( 0.153 1.865 0.958) 2.102 5.878 ( -0.402 0.605 0.054) 0.728 5.905 ( -0.071 -0.932 -0.391) 1.013 7.401 ( -0.064 2.703 0.176) 2.709 7.558 ( 0.161 -3.554 0.164) 3.561 7.594 ( -0.597 2.683 -1.420) 3.094 7.625 ( -0.128 1.288 -1.349) 1.870 7.659 ( -0.173 -1.042 0.188) 1.072 7.698 ( -0.846 -1.830 -1.609) 2.580 ======================= Grid point 257 (124/227) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.925 11.014 3.387) 12.173 1.157 ( 9.596 7.968 1.675) 12.585 1.806 ( -2.804 -4.352 -0.100) 5.178 1.898 ( -0.434 6.102 -0.175) 6.120 2.293 ( -3.645 2.719 0.017) 4.548 2.371 ( 5.201 8.497 0.856) 9.999 2.690 ( -2.173 4.144 0.066) 4.679 2.919 ( 1.012 -2.238 -1.614) 2.939 3.106 ( -7.019 -14.681 -0.236) 16.274 3.336 ( 1.737 -2.292 0.329) 2.895 3.762 ( 5.630 -5.947 -0.495) 8.204 4.197 ( -2.950 2.074 -1.506) 3.908 5.180 ( -0.729 -0.689 -0.380) 1.073 5.268 ( 2.411 0.663 0.118) 2.503 5.299 ( -1.885 0.792 0.823) 2.204 5.368 ( 0.948 2.389 0.707) 2.666 5.863 ( -0.775 0.599 0.208) 1.001 5.911 ( 0.026 -0.996 -0.525) 1.126 7.381 ( 0.504 2.551 0.139) 2.604 7.555 ( -0.328 2.379 -0.799) 2.531 7.586 ( -0.081 -2.003 -0.298) 2.026 7.614 ( 0.154 -0.194 -0.891) 0.925 7.661 ( -0.918 -1.011 -0.079) 1.368 7.696 ( -0.481 -1.738 -1.041) 2.082 ======================= Grid point 258 (125/227) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 4.887 10.166 2.979) 11.666 1.226 ( 6.891 13.176 0.998) 14.902 1.723 ( 6.528 9.133 0.120) 11.227 1.939 ( -5.310 -9.625 0.026) 10.993 2.242 ( -1.590 -2.389 -0.312) 2.887 2.382 ( 5.262 9.460 0.936) 10.865 2.649 ( 1.576 2.154 -0.663) 2.750 2.933 ( -0.961 -1.983 -1.344) 2.581 3.125 ( -9.106 -16.880 0.084) 19.180 3.343 ( 1.257 3.556 0.040) 3.772 3.901 ( 2.520 -3.567 -0.285) 4.377 4.112 ( -3.353 -0.192 -0.566) 3.406 5.179 ( -0.138 -1.171 -0.279) 1.212 5.266 ( -1.343 1.049 0.654) 1.825 5.301 ( 2.353 0.842 -0.131) 2.502 5.362 ( 0.815 2.618 0.271) 2.755 5.849 ( -0.408 0.459 0.273) 0.673 5.919 ( 0.111 -0.867 -0.501) 1.008 7.373 ( 1.164 2.109 0.061) 2.409 7.537 ( 0.622 1.674 0.056) 1.787 7.594 ( 0.830 0.287 -0.853) 1.225 7.618 ( -1.202 -2.222 -0.005) 2.526 7.651 ( -1.278 -0.867 -0.055) 1.545 7.702 ( -0.345 -1.581 -0.469) 1.685 ======================= Grid point 259 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 5.541 8.640 2.212) 10.500 1.160 ( 2.796 12.183 0.653) 12.517 1.847 ( -5.510 -6.493 -0.304) 8.522 1.891 ( 8.792 2.760 -0.259) 9.218 2.276 ( 3.525 -0.164 -0.299) 3.541 2.387 ( 5.355 6.980 0.702) 8.826 2.692 ( 5.043 0.126 -1.042) 5.151 2.912 ( -2.454 -0.995 -1.061) 2.853 3.121 ( -9.033 -13.681 0.098) 16.394 3.321 ( -2.491 0.835 0.239) 2.637 3.822 ( -8.510 2.397 -0.593) 8.861 4.161 ( 3.798 -3.370 0.771) 5.136 5.191 ( 0.088 -1.282 -0.272) 1.313 5.243 ( -0.394 1.103 0.311) 1.212 5.326 ( 1.440 0.869 -0.235) 1.698 5.353 ( 1.285 2.064 -0.057) 2.432 5.847 ( 0.480 0.354 0.243) 0.644 5.923 ( -0.187 -0.551 -0.363) 0.686 7.379 ( 1.734 1.660 0.028) 2.401 7.543 ( 1.127 0.622 0.697) 1.464 7.602 ( -0.066 -0.903 -0.315) 0.958 7.613 ( -0.570 -0.358 0.064) 0.676 7.640 ( -1.021 -0.612 0.638) 1.351 7.708 ( -0.527 -1.645 -0.564) 1.817 ======================= Grid point 265 (127/227) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 2.649 0.000 3.838) 4.664 1.336 ( 1.017 0.000 -1.209) 1.580 1.418 ( -0.473 -0.000 1.875) 1.933 2.118 ( 1.420 -0.000 -0.614) 1.547 2.438 ( -1.144 0.000 0.991) 1.513 2.625 ( -0.058 0.000 0.295) 0.301 2.808 ( 1.681 0.000 -2.211) 2.777 2.842 ( 1.089 0.000 0.363) 1.147 2.922 ( -5.338 -0.000 -1.298) 5.493 3.099 ( 2.234 -0.000 1.397) 2.635 3.676 ( -1.289 0.000 -1.306) 1.835 4.255 ( 0.854 0.000 -1.784) 1.978 5.180 ( 0.580 0.000 -0.606) 0.839 5.245 ( 0.460 0.000 0.414) 0.620 5.332 ( -1.040 0.000 0.869) 1.355 5.391 ( 0.171 -0.000 1.046) 1.060 5.890 ( 0.066 -0.000 -0.543) 0.547 5.890 ( -0.516 0.000 0.207) 0.556 7.436 ( -0.056 0.000 0.159) 0.169 7.513 ( 0.050 0.000 0.266) 0.271 7.632 ( -0.652 -0.000 -1.799) 1.913 7.641 ( 0.729 0.000 -2.708) 2.805 7.642 ( -0.742 -0.000 1.159) 1.376 7.673 ( -1.008 -0.000 -1.260) 1.614 ======================= Grid point 267 (128/227) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 6.141 5.906 3.088) 9.062 1.292 ( 5.592 8.397 0.202) 10.091 1.558 ( 3.503 -13.585 0.644) 14.044 2.077 ( -3.228 4.594 -0.655) 5.653 2.407 ( -4.129 8.096 0.657) 9.112 2.531 ( 1.537 9.048 0.286) 9.182 2.761 ( -8.221 -1.742 -0.019) 8.403 2.824 ( -5.247 -9.525 -1.085) 10.929 2.873 ( -0.358 -3.211 -0.907) 3.356 3.283 ( 11.144 -2.514 0.430) 11.433 3.687 ( 2.828 -1.970 -0.967) 3.579 4.226 ( -2.964 0.925 -1.645) 3.514 5.170 ( -1.033 -0.311 -0.353) 1.135 5.275 ( 2.522 0.152 0.137) 2.530 5.309 ( -1.939 0.301 0.841) 2.135 5.401 ( 0.861 1.001 0.878) 1.585 5.874 ( -0.946 0.559 0.161) 1.111 5.894 ( 0.154 -0.743 -0.462) 0.888 7.426 ( 0.175 2.083 0.166) 2.097 7.524 ( -0.674 -2.693 0.241) 2.786 7.599 ( -0.708 1.729 -1.507) 2.400 7.633 ( 0.245 0.942 -0.417) 1.059 7.650 ( 0.231 -0.262 -1.339) 1.384 7.662 ( -0.581 -1.813 -0.740) 2.043 ======================= Grid point 268 (129/227) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 4.550 10.688 1.664) 11.735 1.381 ( 7.687 2.723 0.658) 8.181 1.741 ( 6.540 -7.568 0.521) 10.016 1.939 ( -4.291 10.636 -0.346) 11.474 2.219 ( -7.529 1.697 -0.118) 7.719 2.558 ( 6.836 7.641 0.585) 10.270 2.677 ( -4.762 -2.977 -0.194) 5.619 2.813 ( -7.528 -12.101 -0.518) 14.261 2.889 ( -0.928 -3.048 -1.264) 3.428 3.417 ( 6.099 4.242 0.023) 7.429 3.798 ( 5.345 -6.528 -0.201) 8.440 4.130 ( -6.420 1.340 -1.129) 6.654 5.160 ( -0.583 -0.838 -0.261) 1.054 5.281 ( -1.318 0.615 0.672) 1.602 5.312 ( 2.212 0.328 -0.073) 2.237 5.405 ( 0.712 1.819 0.473) 2.010 5.856 ( -0.671 0.378 0.252) 0.811 5.903 ( 0.304 -0.758 -0.431) 0.923 7.413 ( 0.670 2.183 0.113) 2.286 7.534 ( -1.546 -2.920 0.040) 3.304 7.575 ( 0.150 1.119 -0.415) 1.203 7.628 ( 0.077 0.543 0.247) 0.602 7.643 ( 0.240 0.307 -1.666) 1.711 7.673 ( -0.084 -1.572 -0.344) 1.611 ======================= Grid point 269 (130/227) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.968 9.430 1.110) 10.291 1.387 ( -0.012 8.830 0.127) 8.831 1.749 ( -11.262 0.475 0.169) 11.273 1.934 ( 12.410 1.751 -0.116) 12.534 2.216 ( 4.994 -5.403 -0.438) 7.371 2.551 ( 2.244 8.658 0.357) 8.951 2.691 ( 1.695 -4.178 -0.059) 4.509 2.812 ( -6.890 -13.356 -0.705) 15.045 2.884 ( -2.147 -2.646 -1.170) 3.603 3.413 ( 0.333 7.801 0.172) 7.810 3.853 ( -6.057 -0.273 -0.452) 6.080 4.079 ( 2.198 -4.556 0.308) 5.068 5.165 ( 0.029 -1.392 -0.288) 1.422 5.263 ( -0.365 1.013 0.382) 1.143 5.337 ( 1.429 0.374 -0.180) 1.488 5.395 ( 0.342 2.199 0.043) 2.226 5.852 ( 0.309 0.215 0.253) 0.453 5.912 ( 0.070 -0.673 -0.302) 0.741 7.411 ( 1.244 1.731 0.065) 2.133 7.531 ( -1.720 -2.342 0.079) 2.907 7.577 ( 0.653 0.096 0.473) 0.812 7.627 ( -0.422 -0.180 1.075) 1.169 7.639 ( 0.942 1.024 -1.369) 1.952 7.681 ( -0.233 -1.190 -0.417) 1.283 ======================= Grid point 270 (131/227) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.638 6.489 1.008) 6.598 1.325 ( 6.113 10.374 -0.300) 12.045 1.555 ( -15.525 -5.344 -0.169) 16.420 2.082 ( 5.997 -1.158 -1.169) 6.218 2.388 ( 8.337 0.963 0.105) 8.393 2.546 ( 7.945 4.416 0.281) 9.094 2.774 ( 3.717 -4.610 -0.226) 5.926 2.814 ( -5.874 -8.630 -1.078) 10.495 2.875 ( -2.513 -6.244 -0.813) 6.780 3.271 ( -8.713 8.693 0.358) 12.313 3.729 ( -4.747 2.216 -0.057) 5.239 4.190 ( 3.483 -4.455 0.953) 5.735 5.178 ( 0.038 -1.251 -0.313) 1.290 5.253 ( 0.148 1.042 0.129) 1.060 5.344 ( 0.086 0.872 -0.422) 0.973 5.385 ( 0.605 1.077 -0.047) 1.236 5.863 ( 1.128 0.211 0.126) 1.155 5.913 ( -0.400 -0.411 -0.114) 0.584 7.420 ( 1.409 1.147 0.074) 1.818 7.523 ( -1.738 -1.830 0.146) 2.528 7.598 ( 1.410 -0.160 1.043) 1.761 7.628 ( -0.515 -0.397 1.403) 1.546 7.640 ( 0.880 0.828 -0.569) 1.335 7.684 ( -0.237 -0.895 -0.672) 1.144 ======================= Grid point 277 (132/227) ======================= q-point: ( 0.60 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.936 -0.000 2.016) 6.268 1.362 ( -0.404 0.000 -0.735) 0.838 1.661 ( 16.054 -0.000 1.196) 16.099 2.046 ( -2.042 0.000 -0.918) 2.239 2.384 ( -8.326 0.000 0.384) 8.335 2.410 ( -17.249 0.000 0.282) 17.251 2.650 ( 5.237 -0.000 0.465) 5.258 2.803 ( -0.701 0.000 -2.063) 2.179 2.831 ( -1.507 0.000 -0.215) 1.522 3.470 ( 11.590 -0.000 0.182) 11.592 3.720 ( 2.846 -0.000 -0.495) 2.888 4.144 ( -6.857 0.000 -1.233) 6.967 5.152 ( -0.761 0.000 -0.247) 0.800 5.287 ( -1.278 0.000 0.672) 1.444 5.314 ( 2.149 -0.000 -0.038) 2.149 5.422 ( 0.670 -0.000 0.551) 0.867 5.861 ( -0.893 0.000 0.231) 0.923 5.895 ( 0.485 -0.000 -0.396) 0.626 7.442 ( 0.425 -0.000 0.156) 0.452 7.496 ( -1.267 0.000 0.067) 1.268 7.589 ( -0.496 0.000 -0.944) 1.067 7.638 ( -0.499 0.000 -0.250) 0.558 7.642 ( -0.436 0.000 1.208) 1.284 7.657 ( 1.698 -0.000 -2.558) 3.070 ======================= Grid point 279 (133/227) ======================= q-point: (-0.30 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.669 8.195 0.399) 8.232 1.389 ( -0.825 -5.657 0.079) 5.718 1.924 ( 4.699 11.056 0.797) 12.040 1.990 ( 4.787 6.349 -0.649) 7.978 2.121 ( -1.067 -2.341 -0.289) 2.589 2.371 ( -11.425 -19.791 0.068) 22.852 2.707 ( 2.356 5.812 0.258) 6.276 2.771 ( 1.924 0.908 -0.925) 2.320 2.826 ( -2.314 -3.663 -0.974) 4.440 3.579 ( 5.300 9.177 0.062) 10.598 3.778 ( -0.813 -7.101 -0.085) 7.148 4.031 ( -4.424 -0.746 -0.374) 4.502 5.146 ( -0.161 -0.591 -0.261) 0.666 5.277 ( -0.122 0.420 0.404) 0.595 5.340 ( 1.150 0.030 -0.106) 1.155 5.426 ( 0.059 0.942 0.134) 0.954 5.855 ( 0.153 0.090 0.245) 0.303 5.902 ( 0.239 -0.324 -0.248) 0.473 7.443 ( 0.728 1.738 0.083) 1.886 7.485 ( -1.370 -2.226 -0.001) 2.614 7.582 ( 0.259 0.163 -0.079) 0.316 7.629 ( -0.393 0.489 0.973) 1.158 7.644 ( -0.386 -0.595 0.478) 0.855 7.672 ( 1.543 0.133 -1.970) 2.506 ======================= Grid point 280 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -5.851 4.180 0.648) 7.220 1.403 ( -1.949 -1.139 -0.504) 2.313 1.651 ( -7.487 14.977 0.109) 16.745 2.049 ( 1.570 -1.826 -1.050) 2.627 2.353 ( 3.549 -8.038 -0.383) 8.795 2.442 ( 9.411 -13.504 0.263) 16.461 2.648 ( -2.412 3.641 -0.060) 4.368 2.806 ( -3.242 -3.632 -0.957) 4.961 2.821 ( 4.153 1.604 -0.473) 4.477 3.468 ( -6.153 11.085 0.156) 12.679 3.763 ( -2.612 0.984 -0.035) 2.791 4.081 ( 3.617 -6.613 0.670) 7.567 5.154 ( 0.316 -1.129 -0.272) 1.203 5.274 ( 0.161 1.010 0.151) 1.034 5.350 ( 0.140 -0.057 -0.187) 0.240 5.410 ( -0.607 1.331 -0.126) 1.469 5.866 ( 1.201 0.125 0.149) 1.216 5.904 ( -0.242 -0.443 -0.079) 0.511 7.436 ( -0.320 0.566 -0.006) 0.650 7.493 ( 0.294 -1.274 0.104) 1.311 7.594 ( 0.930 -0.277 0.427) 1.060 7.626 ( -0.423 0.166 1.666) 1.727 7.643 ( -0.656 -0.447 0.495) 0.935 7.683 ( 1.404 0.561 -1.578) 2.186 ======================= Grid point 281 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -9.195 0.870 1.032) 9.293 1.267 ( -13.961 -0.989 0.138) 13.996 1.567 ( 10.091 10.072 -0.946) 14.289 2.076 ( -2.279 -5.202 -0.987) 5.764 2.382 ( -5.079 -7.878 -0.463) 9.385 2.537 ( -9.770 -3.292 -0.182) 10.311 2.782 ( 0.348 -5.668 -0.188) 5.682 2.816 ( 14.315 0.050 -0.768) 14.336 2.868 ( 5.721 -0.563 -0.290) 5.756 3.259 ( -4.215 11.933 0.304) 12.659 3.718 ( -0.249 3.618 0.226) 3.634 4.193 ( 2.041 -5.405 1.008) 5.865 5.169 ( 0.376 -0.974 -0.252) 1.074 5.264 ( -0.134 1.056 0.003) 1.065 5.341 ( -0.791 0.444 -0.452) 1.013 5.388 ( -0.949 0.279 -0.002) 0.990 5.884 ( 0.658 0.294 -0.059) 0.723 5.905 ( 0.241 -0.342 0.091) 0.428 7.422 ( -1.596 -0.832 -0.008) 1.800 7.518 ( 2.134 0.400 0.173) 2.178 7.614 ( 0.067 -1.138 0.118) 1.146 7.629 ( -0.261 -0.014 1.757) 1.776 7.640 ( -0.101 -0.297 1.070) 1.115 7.691 ( 1.371 0.856 -1.183) 2.003 ======================= Grid point 289 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -10.404 0.000 0.360) 10.410 1.395 ( 1.721 -0.000 -0.095) 1.724 1.906 ( -11.096 0.000 0.098) 11.096 2.016 ( -6.188 0.000 -0.645) 6.221 2.119 ( 0.259 -0.000 -1.144) 1.173 2.371 ( 24.101 -0.000 0.500) 24.106 2.712 ( -6.206 0.000 -0.000) 6.206 2.746 ( -1.718 0.000 -1.208) 2.100 2.838 ( 3.987 -0.000 -0.236) 3.994 3.600 ( -11.285 0.000 0.037) 11.285 3.763 ( 6.476 -0.000 0.201) 6.479 4.002 ( 1.354 -0.000 0.387) 1.408 5.143 ( 0.335 -0.000 -0.239) 0.412 5.284 ( 0.341 -0.000 0.149) 0.372 5.348 ( -0.042 0.000 -0.084) 0.094 5.423 ( -0.904 0.000 -0.130) 0.913 5.868 ( 1.264 -0.000 0.170) 1.276 5.900 ( -0.226 0.000 -0.073) 0.237 7.441 ( -2.052 0.000 -0.123) 2.056 7.481 ( 2.176 -0.000 0.156) 2.182 7.591 ( 0.649 -0.000 0.268) 0.703 7.632 ( -0.430 0.000 1.307) 1.376 7.634 ( -0.811 0.000 1.292) 1.525 7.690 ( 1.711 -0.000 -1.925) 2.575 ======================= Grid point 290 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -13.566 -0.955 1.095) 13.644 1.321 ( -10.343 4.072 0.559) 11.130 1.752 ( 3.385 9.664 -1.218) 10.312 1.944 ( -8.175 -8.816 -0.390) 12.029 2.198 ( 2.001 -7.187 -1.450) 7.600 2.555 ( -10.409 2.303 0.117) 10.662 2.695 ( 1.112 -3.331 0.242) 3.520 2.796 ( 19.286 -0.987 -0.743) 19.325 2.882 ( 2.197 0.759 -0.457) 2.369 3.416 ( -7.442 4.316 0.359) 8.610 3.814 ( 2.861 5.695 0.331) 6.382 4.075 ( 2.784 -6.164 0.741) 6.804 5.153 ( 0.706 -0.555 -0.146) 0.909 5.283 ( -0.204 0.731 -0.054) 0.761 5.341 ( -0.892 -0.266 -0.122) 0.939 5.398 ( -1.780 0.475 -0.151) 1.848 5.889 ( 0.384 0.353 0.006) 0.522 5.897 ( 0.762 -0.444 0.055) 0.884 7.408 ( -2.201 -0.476 -0.127) 2.256 7.524 ( 3.065 0.196 0.196) 3.077 7.599 ( -0.445 -0.445 0.101) 0.638 7.630 ( -0.589 0.050 1.767) 1.863 7.635 ( 0.171 -0.183 1.516) 1.537 7.706 ( 1.670 0.502 -1.584) 2.356 ======================= Grid point 291 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -13.831 -3.246 2.314) 14.394 1.071 ( -14.086 3.434 0.877) 14.525 1.789 ( 1.777 -1.843 -0.923) 2.722 1.881 ( -5.358 -3.360 -0.726) 6.366 2.256 ( -0.970 -4.112 -1.249) 4.406 2.366 ( -9.948 0.213 0.597) 9.968 2.699 ( -1.916 -4.059 -0.415) 4.507 2.894 ( 1.433 1.492 -0.692) 2.182 3.130 ( 17.262 0.552 -0.107) 17.271 3.320 ( 1.080 4.019 0.337) 4.175 3.786 ( 2.144 7.226 0.267) 7.542 4.169 ( 0.889 -5.631 0.882) 5.769 5.170 ( 0.708 -0.558 -0.057) 0.903 5.266 ( -0.770 0.885 -0.131) 1.181 5.324 ( -1.248 -0.103 -0.304) 1.288 5.362 ( -2.306 -0.089 0.071) 2.309 5.880 ( -0.783 0.025 0.133) 0.794 5.922 ( 1.531 0.067 -0.192) 1.544 7.378 ( -2.261 -1.032 -0.096) 2.487 7.568 ( 1.986 0.481 0.506) 2.105 7.586 ( -1.717 -1.066 -0.073) 2.022 7.630 ( 0.333 0.352 1.381) 1.463 7.660 ( 1.434 -0.304 1.321) 1.973 7.718 ( 1.587 0.894 -1.208) 2.186 ======================= Grid point 300 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -14.495 0.000 2.795) 14.762 1.132 ( -16.135 0.000 1.029) 16.168 1.688 ( -15.361 0.000 -0.194) 15.362 1.911 ( 8.989 -0.000 -1.845) 9.176 2.215 ( 2.795 -0.000 -1.246) 3.060 2.373 ( -11.177 0.000 0.650) 11.196 2.656 ( -1.574 0.000 -0.062) 1.575 2.909 ( 1.510 -0.000 -0.763) 1.692 3.133 ( 19.980 -0.000 -0.339) 19.983 3.351 ( -3.171 0.000 0.492) 3.209 3.892 ( 2.094 -0.000 0.665) 2.197 4.084 ( 2.330 -0.000 0.528) 2.389 5.164 ( 0.920 -0.000 0.039) 0.920 5.277 ( -0.941 0.000 -0.220) 0.966 5.320 ( -1.378 0.000 -0.051) 1.378 5.364 ( -2.581 0.000 -0.055) 2.582 5.880 ( -0.857 0.000 0.156) 0.871 5.923 ( 1.713 -0.000 -0.216) 1.727 7.368 ( -2.294 0.000 -0.141) 2.299 7.571 ( 1.516 -0.000 0.604) 1.632 7.576 ( -1.969 0.000 0.183) 1.978 7.634 ( 1.073 -0.000 1.314) 1.696 7.657 ( 1.379 -0.000 1.308) 1.901 7.727 ( 1.636 -0.000 -1.385) 2.143 ======================= Grid point 301 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -10.958 -1.738 5.810) 12.525 0.851 ( -17.283 1.696 1.249) 17.410 1.413 ( -24.174 -9.415 0.164) 25.943 2.041 ( 9.351 2.072 -1.232) 9.656 2.232 ( -0.442 0.547 -0.687) 0.983 2.259 ( -3.497 -0.352 0.958) 3.643 2.661 ( 1.378 -1.439 -0.278) 2.012 2.930 ( 2.260 0.862 -0.923) 2.589 3.304 ( 0.421 2.693 0.262) 2.738 3.395 ( 8.524 -2.157 -0.287) 8.797 3.906 ( 4.668 5.930 0.498) 7.563 4.140 ( 1.105 -3.822 0.489) 4.008 5.180 ( 0.739 -0.155 0.138) 0.767 5.254 ( -1.360 0.393 -0.248) 1.437 5.300 ( -1.229 -0.372 -0.071) 1.286 5.320 ( -2.771 -0.028 0.073) 2.772 5.868 ( -0.688 -0.050 0.185) 0.715 5.943 ( 1.081 0.137 -0.411) 1.165 7.335 ( -2.172 -0.596 -0.101) 2.255 7.543 ( -2.347 -0.584 0.087) 2.420 7.568 ( -1.901 -0.297 0.948) 2.145 7.682 ( 3.955 0.842 0.527) 4.078 7.686 ( 1.335 -0.222 0.833) 1.589 7.743 ( 1.305 0.458 -1.191) 1.825 ======================= Grid point 311 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -4.377 0.000 9.877) 10.804 0.578 ( -18.294 0.000 1.959) 18.398 0.938 ( -28.606 0.000 1.186) 28.630 2.149 ( 4.068 -0.000 -0.350) 4.083 2.224 ( -1.004 0.000 -0.467) 1.108 2.243 ( 0.460 -0.000 1.221) 1.304 2.735 ( 8.533 -0.000 -0.438) 8.544 2.970 ( 2.863 -0.000 -0.907) 3.003 3.290 ( -2.310 0.000 -0.083) 2.311 3.442 ( -2.167 0.000 -0.165) 2.173 4.037 ( 7.403 -0.000 0.427) 7.415 4.146 ( 1.454 -0.000 0.152) 1.462 5.190 ( 0.473 -0.000 0.214) 0.519 5.228 ( -1.733 0.000 -0.380) 1.774 5.279 ( -2.278 0.000 -0.025) 2.278 5.282 ( -0.811 0.000 0.170) 0.828 5.860 ( -0.492 0.000 0.157) 0.516 5.954 ( 0.509 -0.000 -0.562) 0.758 7.299 ( -1.842 0.000 -0.063) 1.843 7.505 ( -2.013 0.000 0.059) 2.014 7.532 ( -2.551 0.000 0.488) 2.598 7.704 ( 0.776 -0.000 0.331) 0.844 7.742 ( 1.121 -0.000 -0.628) 1.284 7.762 ( 2.770 -0.000 -0.093) 2.772 ======================= Grid point 312 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 3.210 -0.000 2.779) 4.246 0.393 ( 5.136 -0.000 3.219) 6.061 0.792 ( -0.530 0.000 6.453) 6.474 2.176 ( -0.478 0.000 -0.024) 0.478 2.211 ( 0.619 -0.000 0.330) 0.701 2.300 ( 0.644 -0.000 -0.234) 0.685 3.082 ( 2.910 -0.000 -0.117) 2.912 3.085 ( 2.454 -0.000 1.323) 2.788 3.166 ( -2.592 0.000 -1.287) 2.894 3.191 ( -2.445 0.000 -0.248) 2.458 4.180 ( 0.136 -0.000 0.105) 0.172 4.192 ( 0.299 -0.000 -0.011) 0.300 5.183 ( 0.511 -0.000 -0.285) 0.585 5.203 ( 0.058 -0.000 0.160) 0.170 5.243 ( 0.056 -0.000 -0.082) 0.099 5.267 ( -0.775 0.000 0.248) 0.814 5.845 ( -0.560 0.000 0.094) 0.567 5.941 ( -0.002 0.000 -0.513) 0.513 7.265 ( 0.027 -0.000 -0.025) 0.037 7.465 ( -0.730 0.000 -0.111) 0.738 7.477 ( 0.319 -0.000 0.030) 0.321 7.701 ( -0.486 0.000 -0.181) 0.518 7.739 ( 0.083 -0.000 0.621) 0.627 7.836 ( 0.065 -0.000 0.198) 0.208 ======================= Grid point 313 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 11.609 -6.053 0.167) 13.093 0.726 ( 16.324 -10.083 2.128) 19.305 0.807 ( 4.748 -1.895 2.661) 5.763 2.176 ( 0.039 -0.084 0.493) 0.502 2.224 ( 0.143 -1.087 -0.220) 1.118 2.304 ( 0.561 0.584 -0.614) 1.016 2.890 ( -10.674 7.266 -0.495) 12.922 3.051 ( -3.220 2.299 -0.775) 4.031 3.194 ( 2.622 -2.517 0.470) 3.665 3.350 ( 7.839 -4.594 0.185) 9.088 4.136 ( -4.192 4.036 -0.315) 5.828 4.177 ( -0.832 0.054 0.174) 0.852 5.201 ( 1.031 0.443 -0.359) 1.178 5.213 ( 1.605 -0.886 -0.105) 1.837 5.250 ( -0.028 -0.191 0.256) 0.321 5.258 ( -0.478 -1.042 0.305) 1.186 5.838 ( -0.608 -0.303 0.391) 0.784 5.937 ( -0.023 0.180 -0.397) 0.436 7.277 ( 1.121 -0.636 -0.037) 1.290 7.470 ( 0.985 -0.401 0.474) 1.164 7.495 ( 1.652 -0.422 -0.198) 1.717 7.691 ( -0.795 -0.008 0.211) 0.823 7.742 ( 0.047 0.281 0.267) 0.391 7.814 ( -1.962 1.370 0.053) 2.394 ======================= Grid point 314 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 5.211 -2.896 1.540) 6.157 0.805 ( 6.922 -4.094 1.021) 8.107 1.250 ( 23.682 -13.480 -1.436) 27.288 2.163 ( -2.855 1.892 0.046) 3.425 2.224 ( -1.771 -2.424 -0.354) 3.023 2.295 ( 0.397 1.740 -0.650) 1.900 2.701 ( -3.895 4.661 -0.575) 6.101 2.974 ( -3.339 1.550 -0.972) 3.807 3.249 ( 0.944 -1.493 0.812) 1.944 3.454 ( 1.475 -0.510 -0.081) 1.563 3.989 ( -7.641 5.770 -0.596) 9.593 4.173 ( 0.371 -0.300 0.521) 0.706 5.204 ( 0.243 0.319 -0.333) 0.521 5.237 ( -0.783 -0.679 0.503) 1.152 5.268 ( 2.775 -1.169 0.035) 3.012 5.277 ( 1.110 -0.824 -0.161) 1.391 5.837 ( -0.159 -0.493 0.566) 0.767 5.932 ( -0.138 0.304 -0.275) 0.432 7.309 ( 1.741 -1.116 -0.039) 2.069 7.505 ( 2.217 -0.626 0.997) 2.510 7.532 ( 2.424 -0.586 -0.366) 2.520 7.679 ( -0.831 0.190 0.752) 1.137 7.731 ( -1.690 0.684 0.376) 1.862 7.758 ( -2.131 2.266 -0.562) 3.162 ======================= Grid point 315 (145/227) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 4.636 -3.813 1.095) 6.102 1.005 ( 9.209 -4.334 -0.815) 10.211 1.714 ( 19.934 -11.487 -1.244) 23.040 1.982 ( -12.926 6.248 -1.120) 14.400 2.253 ( 3.263 -1.735 0.300) 3.708 2.314 ( 2.782 -1.593 -0.733) 3.288 2.683 ( 3.532 0.684 -0.694) 3.664 2.910 ( -2.670 1.007 -0.745) 2.949 3.235 ( -4.047 1.666 0.639) 4.423 3.400 ( -5.807 3.800 -0.203) 6.943 3.812 ( -7.083 4.324 -0.485) 8.313 4.204 ( 2.075 -0.938 0.813) 2.418 5.197 ( -0.680 0.055 -0.318) 0.753 5.239 ( 0.239 -0.230 0.566) 0.656 5.298 ( 0.596 -1.212 -0.322) 1.388 5.326 ( 3.130 -0.609 -0.120) 3.191 5.847 ( 0.459 -0.444 0.548) 0.841 5.924 ( -0.363 0.270 -0.188) 0.490 7.351 ( 2.004 -1.404 -0.009) 2.447 7.553 ( 2.158 -0.354 0.955) 2.387 7.575 ( 2.304 -0.556 -0.330) 2.393 7.666 ( -2.998 1.789 0.664) 3.553 7.672 ( -1.046 0.508 1.127) 1.620 7.721 ( -0.766 1.361 -0.820) 1.764 ======================= Grid point 316 (146/227) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.982 -3.601 0.160) 6.149 1.169 ( 8.183 -4.424 -0.661) 9.326 1.678 ( -15.275 7.674 -0.755) 17.111 2.030 ( 8.647 -4.669 -1.137) 9.893 2.372 ( 8.535 -0.756 0.452) 8.581 2.418 ( 7.102 -8.272 -1.013) 10.949 2.757 ( 5.758 -0.675 -0.791) 5.852 2.860 ( -2.396 1.175 -0.518) 2.718 3.080 ( -10.352 6.067 0.161) 12.000 3.229 ( -9.103 4.991 -0.010) 10.382 3.709 ( -2.620 1.206 0.007) 2.884 4.250 ( 1.816 -0.552 0.871) 2.088 5.182 ( -0.879 -0.113 -0.257) 0.923 5.250 ( 0.688 0.190 0.338) 0.790 5.313 ( 0.185 -0.957 -0.386) 1.049 5.372 ( 1.959 -0.290 -0.144) 1.986 5.863 ( 0.841 -0.239 0.325) 0.933 5.915 ( -0.536 0.071 -0.106) 0.551 7.397 ( 2.051 -1.448 0.061) 2.511 7.556 ( -2.218 1.331 0.164) 2.592 7.606 ( 1.727 -0.263 -0.530) 1.825 7.634 ( 0.789 0.569 1.036) 1.421 7.673 ( 0.074 0.195 1.603) 1.617 7.692 ( -1.041 1.035 -0.642) 1.602 ======================= Grid point 317 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.433 0.396 0.738) 1.660 1.344 ( -5.751 2.415 -0.586) 6.265 1.405 ( 4.022 -1.842 0.003) 4.424 2.096 ( -0.341 -0.178 -1.044) 1.113 2.443 ( 0.415 1.076 0.366) 1.210 2.632 ( -1.399 -0.019 -0.053) 1.400 2.761 ( -0.010 -0.614 -0.845) 1.045 2.833 ( 1.025 1.117 -1.006) 1.820 2.929 ( -1.109 -1.151 0.317) 1.629 3.100 ( 1.061 1.747 0.260) 2.060 3.687 ( -0.026 -0.140 0.152) 0.208 4.272 ( 0.249 0.443 0.781) 0.932 5.172 ( -0.462 -0.279 -0.142) 0.558 5.258 ( 0.358 0.253 0.160) 0.467 5.317 ( -0.294 -0.574 -0.364) 0.741 5.389 ( 0.224 0.281 -0.142) 0.387 5.878 ( 0.456 -0.136 -0.053) 0.479 5.908 ( -0.076 -0.100 0.002) 0.126 7.431 ( 0.242 -0.128 0.046) 0.277 7.517 ( -0.319 0.121 0.061) 0.347 7.627 ( 0.414 0.088 -0.401) 0.583 7.642 ( 0.120 0.588 -0.063) 0.604 7.674 ( 0.425 0.322 0.356) 0.641 7.683 ( 0.155 0.049 1.350) 1.360 ======================= Grid point 318 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -8.306 4.193 1.958) 9.508 1.114 ( -9.729 5.473 1.431) 11.254 1.667 ( 14.055 -7.487 -0.330) 15.928 2.010 ( -9.915 4.546 -0.322) 10.912 2.377 ( -9.276 9.292 0.431) 13.137 2.383 ( -6.394 1.582 0.214) 6.591 2.753 ( -4.509 2.193 -0.692) 5.061 2.859 ( 2.448 -0.707 -0.467) 2.590 3.072 ( 8.590 -9.443 0.395) 12.772 3.231 ( 10.743 -1.886 -0.029) 10.908 3.708 ( 2.249 -1.121 0.018) 2.513 4.257 ( -1.384 1.414 0.598) 2.067 5.172 ( 0.017 -0.503 0.078) 0.509 5.258 ( -0.115 0.245 0.048) 0.275 5.311 ( -0.731 -0.195 -0.274) 0.805 5.373 ( -1.405 0.873 -0.148) 1.661 5.877 ( -0.399 -0.076 -0.229) 0.466 5.916 ( 0.773 -0.221 -0.146) 0.817 7.401 ( -2.055 1.517 -0.095) 2.556 7.554 ( 2.723 -1.679 0.221) 3.206 7.601 ( -1.740 1.009 -0.413) 2.054 7.644 ( -0.337 -0.307 0.284) 0.537 7.690 ( 0.269 0.045 0.908) 0.948 7.692 ( 1.500 -0.076 -0.231) 1.520 ======================= Grid point 319 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -7.373 3.833 4.420) 9.412 0.919 ( -10.829 5.814 2.472) 12.537 1.662 ( -21.358 12.877 0.898) 24.956 1.951 ( 12.768 -6.165 0.110) 14.179 2.241 ( -2.661 1.971 0.290) 3.324 2.292 ( -2.860 2.218 0.570) 3.664 2.676 ( -2.672 0.434 -0.468) 2.747 2.899 ( 2.481 -0.716 -0.341) 2.605 3.249 ( 4.358 -3.803 0.088) 5.785 3.396 ( 6.084 -2.995 -0.050) 6.782 3.799 ( 6.569 -3.687 0.045) 7.533 4.216 ( -1.848 1.800 0.372) 2.606 5.180 ( 0.111 -0.669 0.258) 0.726 5.251 ( -0.423 0.442 0.071) 0.616 5.296 ( -1.104 -0.001 -0.159) 1.116 5.332 ( -2.056 1.294 -0.262) 2.443 5.869 ( -0.384 0.139 -0.285) 0.498 5.930 ( 0.666 -0.370 -0.389) 0.856 7.353 ( -2.060 1.519 -0.094) 2.561 7.559 ( -2.281 0.864 -0.126) 2.443 7.585 ( -1.089 0.290 0.017) 1.127 7.664 ( 2.501 -2.076 0.442) 3.280 7.701 ( 0.662 0.034 0.214) 0.696 7.716 ( 1.436 -0.430 -0.512) 1.584 ======================= Grid point 320 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -11.163 5.899 3.427) 13.083 0.697 ( -3.855 1.809 6.785) 8.010 1.166 ( -23.813 16.159 1.960) 28.845 2.149 ( 6.369 -1.504 0.270) 6.549 2.208 ( -1.154 0.085 0.405) 1.226 2.266 ( 0.365 0.381 0.689) 0.868 2.691 ( 4.123 -3.794 -0.187) 5.606 2.950 ( 3.095 -1.063 -0.101) 3.274 3.284 ( -0.801 0.516 -0.559) 1.105 3.453 ( -1.116 0.129 -0.006) 1.123 3.966 ( 7.730 -5.843 0.253) 9.693 4.182 ( -0.391 1.278 0.176) 1.348 5.188 ( -0.212 -0.784 0.252) 0.851 5.235 ( -0.972 1.025 0.180) 1.424 5.274 ( -1.713 -0.137 0.007) 1.718 5.293 ( -0.685 1.432 -0.496) 1.663 5.860 ( -0.221 0.290 -0.309) 0.478 5.939 ( 0.330 -0.358 -0.525) 0.716 7.309 ( -1.762 1.186 -0.048) 2.124 7.515 ( -2.146 0.637 0.088) 2.240 7.543 ( -2.648 0.883 -0.324) 2.810 7.709 ( 0.527 0.255 -0.318) 0.666 7.724 ( 0.917 -1.338 0.214) 1.636 7.750 ( 2.983 -1.404 -0.033) 3.297 ======================= Grid point 321 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -9.998 6.581 4.212) 12.689 0.634 ( -19.363 13.426 4.806) 24.047 0.755 ( -1.247 1.588 5.965) 6.297 2.192 ( -1.086 -0.103 -0.189) 1.107 2.201 ( 1.145 1.045 0.644) 1.679 2.283 ( 1.043 -0.382 0.338) 1.161 2.871 ( 10.919 -6.505 0.212) 12.711 3.016 ( 3.512 -1.422 0.490) 3.821 3.234 ( -3.200 1.492 -0.994) 3.668 3.360 ( -7.482 4.034 -0.180) 8.502 4.121 ( 4.650 -4.694 0.260) 6.613 4.180 ( 0.944 0.859 0.082) 1.279 5.188 ( -0.843 -0.716 0.012) 1.106 5.208 ( -0.538 1.188 0.127) 1.310 5.251 ( -0.947 0.163 -0.002) 0.961 5.277 ( -0.131 0.729 -0.194) 0.766 5.853 ( -0.275 0.236 -0.185) 0.407 5.942 ( 0.078 -0.194 -0.563) 0.600 7.277 ( -1.094 0.654 -0.021) 1.274 7.484 ( -1.280 0.182 0.105) 1.298 7.494 ( -2.010 0.736 -0.372) 2.173 7.709 ( -0.017 0.313 -0.465) 0.561 7.735 ( -0.127 -0.413 0.477) 0.643 7.810 ( 2.190 -1.246 0.242) 2.531 ======================= Grid point 323 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 16.351 -0.000 -0.851) 16.374 0.766 ( -1.028 0.000 4.117) 4.243 1.103 ( 25.846 -0.000 -2.037) 25.926 2.188 ( 0.913 -0.000 0.972) 1.333 2.188 ( -4.234 0.000 -1.001) 4.351 2.315 ( 0.936 -0.000 -1.219) 1.537 2.752 ( -7.965 0.000 -0.649) 7.992 2.991 ( -3.947 0.000 -0.935) 4.056 3.236 ( 2.807 -0.000 1.025) 2.988 3.436 ( 2.739 -0.000 -0.153) 2.743 4.063 ( -6.629 0.000 0.042) 6.629 4.157 ( -1.393 0.000 -0.028) 1.393 5.205 ( -0.387 0.000 -0.037) 0.389 5.235 ( -0.810 0.000 0.952) 1.249 5.251 ( 2.807 -0.000 -0.839) 2.930 5.274 ( 2.263 -0.000 0.073) 2.264 5.832 ( -0.128 0.000 0.588) 0.601 5.935 ( -0.194 0.000 -0.268) 0.330 7.298 ( 1.805 -0.000 -0.062) 1.806 7.499 ( 2.359 -0.000 1.064) 2.588 7.527 ( 2.511 -0.000 -0.254) 2.524 7.681 ( -0.790 0.000 0.706) 1.060 7.737 ( -1.394 0.000 0.261) 1.418 7.780 ( -2.586 0.000 -0.491) 2.632 ======================= Grid point 324 (153/227) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.797 -0.811 2.024) 4.379 0.993 ( 15.105 1.546 -0.999) 15.216 1.513 ( 20.921 -7.760 -1.692) 22.378 2.055 ( -10.683 1.672 -1.456) 10.911 2.227 ( 3.197 -0.766 0.409) 3.313 2.318 ( 1.484 0.997 -1.176) 2.140 2.685 ( 0.032 -0.266 -0.586) 0.644 2.930 ( -2.616 0.810 -0.792) 2.851 3.270 ( 0.635 2.049 0.953) 2.347 3.393 ( -8.520 -2.406 -0.349) 8.860 3.941 ( -4.507 6.812 -0.048) 8.168 4.154 ( -0.731 -3.628 0.287) 3.712 5.190 ( -1.491 -0.415 0.144) 1.555 5.241 ( 0.968 0.121 0.663) 1.180 5.281 ( 1.345 -0.478 -0.567) 1.536 5.323 ( 3.492 0.055 -0.138) 3.495 5.840 ( 0.556 -0.243 0.627) 0.872 5.928 ( -0.567 0.084 -0.171) 0.598 7.332 ( 2.097 -0.549 -0.075) 2.169 7.548 ( 2.633 -0.114 1.263) 2.923 7.567 ( 2.487 -0.223 -0.292) 2.514 7.674 ( -0.524 0.073 1.091) 1.212 7.691 ( -3.879 0.561 0.612) 3.967 7.744 ( -1.048 0.784 -1.146) 1.740 ======================= Grid point 325 (154/227) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 7.870 -1.949 0.633) 8.133 1.172 ( 11.271 4.067 -0.718) 12.004 1.786 ( -7.815 1.484 -1.049) 8.024 1.897 ( 7.090 -6.236 -0.932) 9.488 2.286 ( 1.652 -4.924 -1.582) 5.429 2.387 ( 9.211 1.491 0.036) 9.331 2.727 ( 3.330 -2.254 -0.800) 4.100 2.886 ( -1.322 1.407 -0.495) 1.993 3.119 ( -16.618 1.143 0.093) 16.657 3.326 ( -0.630 2.174 0.207) 2.273 3.807 ( -2.473 8.882 -0.089) 9.220 4.194 ( -0.260 -5.197 0.483) 5.226 5.171 ( -1.595 -0.786 0.114) 1.782 5.261 ( 1.418 0.623 0.347) 1.587 5.300 ( 0.774 -0.437 -0.283) 0.933 5.372 ( 2.631 0.200 -0.255) 2.650 5.858 ( 0.966 -0.290 0.477) 1.116 5.914 ( -0.911 -0.039 -0.106) 0.918 7.373 ( 2.214 -0.992 -0.042) 2.427 7.572 ( -1.318 0.480 0.420) 1.464 7.601 ( 1.608 -0.216 -0.348) 1.659 7.645 ( -0.180 0.531 1.187) 1.312 7.675 ( 0.041 0.078 1.256) 1.259 7.713 ( -1.094 1.069 -1.197) 1.942 ======================= Grid point 326 (155/227) ======================= q-point: (-0.60 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 5.245 1.508 0.563) 5.486 1.300 ( 8.345 -0.141 -0.457) 8.359 1.541 ( -8.758 9.989 -0.426) 13.291 2.054 ( 1.422 -4.191 -0.713) 4.483 2.418 ( 5.273 -10.333 -1.101) 11.653 2.523 ( 8.097 -0.557 0.056) 8.116 2.783 ( -13.350 -2.123 0.434) 13.525 2.815 ( -0.562 -0.603 -1.157) 1.420 2.869 ( -5.287 -0.512 -0.434) 5.329 3.289 ( 4.795 11.361 -0.203) 12.333 3.722 ( -0.148 4.345 0.140) 4.350 4.230 ( -1.483 -4.763 0.412) 5.005 5.157 ( -1.263 -1.099 0.069) 1.676 5.274 ( 0.999 1.131 0.067) 1.511 5.311 ( 0.334 -0.170 -0.035) 0.377 5.397 ( 1.076 0.563 -0.282) 1.247 5.876 ( 0.634 -0.067 0.104) 0.646 5.902 ( -0.594 -0.438 0.026) 0.739 7.417 ( 1.879 -1.037 0.023) 2.146 7.525 ( -2.556 0.602 0.065) 2.627 7.622 ( 0.803 -0.341 -0.244) 0.906 7.660 ( 0.552 0.953 -0.099) 1.105 7.682 ( -0.087 0.394 -0.177) 0.440 7.686 ( 0.169 0.387 1.078) 1.158 ======================= Grid point 327 (156/227) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -3.890 6.625 1.438) 7.816 1.266 ( -5.683 8.706 0.611) 10.415 1.557 ( 13.322 -2.374 -0.107) 13.532 2.037 ( -5.647 -0.447 -0.542) 5.690 2.403 ( -11.693 0.366 -0.085) 11.699 2.544 ( -4.882 7.018 0.448) 8.560 2.766 ( 6.559 -11.233 -0.297) 13.011 2.789 ( -3.647 -4.632 -0.378) 5.907 2.865 ( 1.876 -1.886 -0.828) 2.786 3.309 ( 8.980 8.780 -0.294) 12.563 3.724 ( 3.896 1.995 0.021) 4.377 4.234 ( -3.192 -3.783 0.234) 4.955 5.153 ( -0.702 -1.370 0.135) 1.545 5.274 ( 0.540 1.274 -0.018) 1.384 5.311 ( -0.279 0.245 0.110) 0.388 5.392 ( -0.487 1.160 -0.275) 1.288 5.876 ( -0.317 0.010 -0.159) 0.355 5.908 ( 0.431 -0.629 -0.024) 0.763 7.426 ( -1.222 1.043 -0.030) 1.607 7.519 ( 1.498 -1.846 0.170) 2.383 7.621 ( -1.101 0.827 -0.806) 1.596 7.642 ( -0.211 0.241 -0.470) 0.569 7.688 ( 0.124 0.028 0.488) 0.505 7.697 ( 1.045 0.303 0.405) 1.161 ======================= Grid point 328 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -7.280 7.396 3.275) 10.883 1.103 ( -4.058 12.966 1.603) 13.681 1.793 ( 0.226 -3.225 0.557) 3.281 1.868 ( -2.833 2.344 0.021) 3.677 2.257 ( -5.057 -1.097 0.056) 5.175 2.401 ( -3.748 9.584 0.581) 10.307 2.682 ( -4.634 0.728 -0.897) 4.776 2.892 ( 2.198 -0.346 -0.752) 2.348 3.082 ( 9.002 -15.043 0.742) 17.547 3.359 ( 2.601 1.505 -0.423) 3.035 3.802 ( 7.898 2.538 -0.275) 8.301 4.205 ( -4.035 -2.882 0.039) 4.959 5.160 ( -0.259 -1.414 0.227) 1.456 5.269 ( 0.372 1.360 0.074) 1.412 5.299 ( -1.044 0.398 0.215) 1.138 5.362 ( -1.220 1.795 -0.270) 2.187 5.871 ( -0.171 0.096 -0.181) 0.266 5.920 ( 0.380 -0.662 -0.308) 0.823 7.384 ( -1.858 1.806 -0.057) 2.591 7.573 ( 1.181 -1.545 0.102) 1.947 7.580 ( -1.345 1.032 -0.853) 1.897 7.635 ( -0.217 -0.522 -0.052) 0.568 7.694 ( 0.266 -0.578 0.427) 0.766 7.714 ( 1.181 -0.012 -0.629) 1.338 ======================= Grid point 329 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -3.380 4.538 5.559) 7.932 0.894 ( -7.007 14.994 2.401) 16.724 1.474 ( -16.641 15.621 0.902) 22.841 2.068 ( 7.969 -6.717 0.297) 10.426 2.228 ( -0.201 0.832 0.625) 1.060 2.295 ( -1.526 3.579 0.585) 3.934 2.631 ( -0.839 -1.686 -0.583) 1.971 2.929 ( 2.003 -1.248 -0.553) 2.424 3.294 ( 4.210 -0.900 0.271) 4.313 3.381 ( -0.035 -7.294 -0.137) 7.296 3.904 ( 6.162 -0.384 -0.328) 6.182 4.173 ( -2.424 -2.222 -0.153) 3.292 5.170 ( -0.090 -1.089 0.196) 1.111 5.259 ( -0.479 1.391 0.214) 1.486 5.277 ( -0.949 0.619 0.277) 1.167 5.325 ( -0.780 2.020 -0.245) 2.180 5.866 ( -0.043 0.338 -0.194) 0.392 5.929 ( 0.221 -0.679 -0.483) 0.862 7.339 ( -1.629 1.924 -0.034) 2.521 7.534 ( -1.833 1.329 -0.509) 2.321 7.563 ( -1.977 1.254 -0.493) 2.392 7.680 ( 2.058 -3.191 0.425) 3.821 7.709 ( 0.597 -0.568 -0.105) 0.831 7.729 ( 0.985 -0.713 -0.728) 1.417 ======================= Grid point 330 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -5.010 15.196 3.200) 16.317 0.726 ( 0.203 1.141 6.631) 6.732 1.051 ( -13.008 23.864 1.183) 27.205 2.180 ( 1.603 -1.793 0.055) 2.405 2.226 ( 0.433 1.238 0.593) 1.439 2.275 ( -0.323 -0.313 0.498) 0.671 2.715 ( 5.590 -7.971 0.238) 9.739 2.973 ( 1.539 -2.801 -0.446) 3.227 3.274 ( -2.137 2.309 -0.794) 3.245 3.430 ( -0.657 1.418 0.407) 1.615 4.011 ( 3.447 -6.526 -0.025) 7.380 4.171 ( -0.118 -1.485 -0.311) 1.522 5.177 ( -0.004 -0.507 -0.001) 0.507 5.231 ( -1.174 1.073 0.095) 1.593 5.263 ( -0.030 1.358 0.299) 1.391 5.300 ( -0.360 1.584 -0.027) 1.625 5.860 ( -0.186 0.497 -0.112) 0.542 5.935 ( 0.079 -0.553 -0.534) 0.773 7.300 ( -1.035 1.733 -0.011) 2.019 7.495 ( -1.290 1.060 -0.223) 1.684 7.516 ( -1.657 1.524 -0.573) 2.323 7.715 ( 0.057 0.087 -0.942) 0.948 7.720 ( 0.201 -1.303 0.595) 1.447 7.769 ( 1.657 -2.953 0.104) 3.388 ======================= Grid point 331 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 2.446 12.534 2.524) 13.018 0.678 ( 2.448 25.123 2.086) 25.328 0.784 ( -0.524 1.214 5.207) 5.372 2.186 ( -0.451 1.089 0.056) 1.180 2.223 ( 0.520 0.719 0.369) 0.961 2.289 ( 0.651 -1.019 -0.082) 1.212 2.886 ( 0.325 -12.764 0.700) 12.787 3.026 ( 1.445 -4.165 -0.711) 4.466 3.212 ( -1.067 3.496 -0.752) 3.732 3.358 ( -0.367 8.919 0.317) 8.933 4.113 ( 0.668 -6.877 0.078) 6.910 4.181 ( -0.307 -1.153 -0.247) 1.218 5.182 ( 0.710 -0.032 -0.337) 0.787 5.212 ( -0.156 0.801 0.126) 0.826 5.252 ( 0.147 1.209 0.066) 1.220 5.280 ( -0.715 1.219 0.311) 1.447 5.850 ( -0.527 0.491 0.114) 0.730 5.937 ( 0.001 -0.367 -0.500) 0.620 7.277 ( 0.015 1.269 -0.017) 1.269 7.471 ( -0.551 0.740 -0.018) 0.923 7.488 ( 0.161 1.087 -0.311) 1.142 7.704 ( -0.632 0.154 -0.418) 0.774 7.733 ( 0.204 -0.595 0.535) 0.825 7.811 ( -0.000 -2.585 0.196) 2.593 ======================= Grid point 334 (161/227) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 8.059 -0.000 0.909) 8.110 1.237 ( 13.104 -0.000 -0.641) 13.120 1.729 ( 11.855 -0.000 -0.954) 11.893 1.885 ( -9.682 0.000 -1.410) 9.784 2.240 ( -1.792 0.000 -1.447) 2.303 2.406 ( 10.142 -0.000 -0.216) 10.144 2.701 ( 2.386 -0.000 -0.712) 2.490 2.900 ( -1.268 0.000 -0.519) 1.370 3.132 ( -19.609 0.000 -0.424) 19.614 3.335 ( 4.194 -0.000 0.794) 4.268 3.935 ( -2.367 0.000 -0.024) 2.367 4.109 ( -1.642 0.000 0.142) 1.648 5.163 ( -1.693 0.000 0.227) 1.708 5.267 ( 1.576 -0.000 0.659) 1.709 5.296 ( 1.048 -0.000 -0.496) 1.159 5.374 ( 2.816 -0.000 -0.270) 2.828 5.855 ( 1.012 -0.000 0.550) 1.152 5.914 ( -1.052 0.000 -0.107) 1.057 7.364 ( 2.239 -0.000 -0.083) 2.241 7.577 ( -0.923 0.000 0.529) 1.063 7.599 ( 1.667 -0.000 -0.283) 1.691 7.651 ( -0.652 0.000 1.196) 1.362 7.676 ( 0.046 -0.000 1.115) 1.116 7.724 ( -1.140 0.000 -1.372) 1.783 ======================= Grid point 335 (162/227) ======================= q-point: ( 0.30 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 9.049 -0.433 0.512) 9.074 1.349 ( 2.679 3.144 -0.044) 4.131 1.732 ( -0.170 10.524 -0.764) 10.553 1.940 ( 7.200 -8.516 -0.419) 11.160 2.212 ( -2.068 -7.193 -1.580) 7.649 2.568 ( 9.027 2.514 -0.225) 9.373 2.720 ( -8.211 -2.721 0.289) 8.655 2.814 ( -11.534 -0.265 -1.501) 11.634 2.877 ( -1.649 0.541 -0.262) 1.755 3.426 ( 8.420 3.362 0.188) 9.068 3.844 ( -3.398 7.191 -0.159) 7.955 4.116 ( -2.225 -6.368 0.066) 6.746 5.140 ( -1.454 -0.522 0.173) 1.555 5.291 ( 1.233 0.593 0.401) 1.426 5.308 ( 0.629 -0.130 -0.159) 0.661 5.407 ( 1.532 0.354 -0.312) 1.603 5.874 ( 0.946 -0.092 0.323) 1.004 5.896 ( -1.096 -0.185 -0.053) 1.113 7.402 ( 2.235 -0.507 -0.043) 2.292 7.533 ( -3.183 0.256 0.068) 3.194 7.617 ( 0.749 -0.147 -0.204) 0.790 7.671 ( 1.216 0.294 0.540) 1.363 7.685 ( 0.343 0.021 0.796) 0.866 7.697 ( -0.773 0.477 -0.972) 1.330 ======================= Grid point 336 (163/227) ======================= q-point: (-0.60 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.960 5.089 1.033) 5.280 1.324 ( -1.311 -1.276 0.635) 1.937 1.682 ( 8.959 14.483 -0.236) 17.032 2.021 ( -1.543 -0.920 -0.734) 1.940 2.375 ( -3.593 -8.092 -0.684) 8.880 2.416 ( -9.077 -13.242 0.681) 16.068 2.655 ( 3.009 4.061 -0.164) 5.057 2.811 ( -2.253 0.719 -0.389) 2.397 2.838 ( 0.629 -1.197 -1.365) 1.921 3.503 ( 6.928 10.607 -0.428) 12.676 3.764 ( 1.527 2.139 -0.049) 2.628 4.131 ( -3.681 -6.715 -0.151) 7.659 5.130 ( -0.852 -1.010 0.170) 1.332 5.297 ( 0.569 1.088 0.060) 1.230 5.316 ( 0.074 0.099 0.245) 0.274 5.413 ( 0.191 0.971 -0.252) 1.021 5.878 ( -0.404 0.122 -0.098) 0.433 5.896 ( 0.358 -0.677 0.085) 0.770 7.436 ( 0.949 0.040 -0.008) 0.950 7.495 ( -1.052 -0.722 0.087) 1.279 7.625 ( 0.158 -0.122 -0.335) 0.390 7.655 ( -0.993 0.857 -1.613) 2.079 7.690 ( 0.028 0.151 0.444) 0.470 7.702 ( 0.809 0.221 0.420) 0.938 ======================= Grid point 337 (164/227) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -6.183 8.741 2.435) 10.980 1.315 ( -0.631 6.740 1.264) 6.887 1.751 ( 9.477 3.498 0.124) 10.103 1.920 ( -9.654 2.409 -0.065) 9.950 2.200 ( -6.003 -4.664 -0.009) 7.602 2.589 ( -1.479 9.028 -0.046) 9.148 2.703 ( -2.985 -1.940 -0.309) 3.573 2.763 ( 8.506 -14.667 0.175) 16.956 2.877 ( 1.677 -1.549 -1.231) 2.594 3.447 ( -0.971 7.484 -0.395) 7.557 3.844 ( 7.369 1.055 -0.353) 7.452 4.122 ( -4.020 -5.494 -0.354) 6.817 5.134 ( -0.094 -1.272 0.206) 1.292 5.294 ( 0.266 1.148 0.105) 1.183 5.309 ( -0.631 0.615 0.332) 0.942 5.395 ( -0.627 1.708 -0.113) 1.824 5.873 ( 0.008 0.110 -0.121) 0.164 5.907 ( 0.180 -0.788 -0.200) 0.833 7.417 ( -1.349 1.687 -0.011) 2.160 7.527 ( 1.921 -2.733 0.160) 3.344 7.606 ( -1.253 1.337 -1.305) 2.249 7.636 ( -0.369 0.149 -0.812) 0.904 7.687 ( -0.429 -0.122 0.500) 0.670 7.712 ( 0.581 -0.158 -0.581) 0.837 ======================= Grid point 338 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -4.429 8.437 4.056) 10.356 1.165 ( -6.791 12.780 1.911) 14.598 1.714 ( -5.458 10.979 0.158) 12.262 1.920 ( 4.887 -8.837 0.295) 10.103 2.216 ( 2.022 -1.468 0.223) 2.508 2.422 ( -5.597 9.679 0.367) 11.186 2.643 ( -0.831 2.614 -0.539) 2.796 2.904 ( 0.828 -1.441 -0.976) 1.928 3.095 ( 10.181 -16.622 0.663) 19.503 3.366 ( -2.643 2.758 -0.428) 3.843 3.910 ( 0.605 -0.829 -0.581) 1.180 4.120 ( -0.074 -2.519 -0.534) 2.577 5.150 ( 0.505 -1.086 0.157) 1.208 5.278 ( -1.445 0.714 0.258) 1.632 5.299 ( 0.601 1.506 0.386) 1.666 5.365 ( -0.784 2.189 0.039) 2.325 5.872 ( 0.172 0.303 -0.116) 0.368 5.915 ( 0.109 -0.889 -0.414) 0.987 7.377 ( -1.314 2.176 0.011) 2.542 7.562 ( -1.267 1.565 -1.065) 2.278 7.576 ( 0.181 -0.658 -0.476) 0.832 7.627 ( 0.335 -1.585 -0.253) 1.640 7.692 ( 0.140 -0.992 0.378) 1.071 7.718 ( 0.258 -0.635 -1.143) 1.333 ======================= Grid point 339 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.148 5.266 5.218) 7.502 0.940 ( -5.863 13.612 2.218) 14.986 1.487 ( -4.023 22.521 0.141) 22.878 2.076 ( 2.896 -10.277 0.266) 10.681 2.245 ( 0.471 1.068 0.161) 1.178 2.295 ( -2.721 3.462 0.761) 4.469 2.644 ( 3.157 0.480 0.152) 3.197 2.923 ( -0.031 -2.526 -0.952) 2.700 3.291 ( -2.870 -2.697 -0.802) 4.019 3.377 ( 7.149 -5.342 0.971) 8.977 3.900 ( -3.350 -5.733 -0.522) 6.661 4.149 ( 1.721 -0.296 -0.725) 1.891 5.168 ( 0.772 -0.509 -0.074) 0.927 5.247 ( -1.425 0.750 0.235) 1.627 5.298 ( 0.849 2.045 0.527) 2.276 5.333 ( -0.822 2.026 0.169) 2.193 5.869 ( -0.073 0.469 -0.052) 0.477 5.922 ( 0.096 -0.814 -0.475) 0.947 7.338 ( -0.885 2.349 0.030) 2.510 7.522 ( -1.010 1.800 -0.701) 2.179 7.547 ( -1.266 1.768 -0.973) 2.382 7.675 ( 1.016 -3.573 0.386) 3.735 7.708 ( 0.381 -1.011 -0.287) 1.118 7.722 ( -0.107 -1.578 -0.680) 1.722 ======================= Grid point 340 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.262 4.599 4.566) 6.602 0.788 ( 0.596 11.182 2.442) 11.461 1.210 ( 0.627 27.923 0.079) 27.930 2.189 ( 0.656 -6.296 0.319) 6.338 2.216 ( -0.912 2.198 0.145) 2.385 2.272 ( 0.797 -0.143 0.222) 0.839 2.706 ( -0.132 -5.230 0.717) 5.280 2.951 ( 0.943 -3.751 -1.162) 4.039 3.258 ( -0.594 0.982 -0.637) 1.312 3.460 ( 0.293 1.540 0.592) 1.676 3.949 ( -0.027 -10.248 -0.159) 10.249 4.162 ( 0.041 -0.397 -0.671) 0.781 5.181 ( 0.744 -0.121 -0.458) 0.882 5.228 ( -0.118 0.857 0.244) 0.899 5.289 ( 0.309 2.604 0.271) 2.636 5.305 ( -0.755 1.386 0.463) 1.645 5.860 ( -0.455 0.595 0.141) 0.762 5.927 ( -0.001 -0.675 -0.455) 0.814 7.309 ( -0.012 2.169 0.019) 2.169 7.493 ( -0.366 1.582 -0.122) 1.629 7.514 ( 0.040 1.716 -0.880) 1.929 7.699 ( -0.780 -0.982 -0.154) 1.264 7.719 ( 0.442 -0.999 -0.172) 1.106 7.749 ( -0.281 -3.824 0.211) 3.840 ======================= Grid point 341 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 5.814 13.507 0.498) 14.714 0.784 ( 0.014 1.285 4.295) 4.483 1.088 ( 15.033 21.899 -0.452) 26.566 2.176 ( -1.687 -0.625 0.214) 1.812 2.243 ( 1.404 0.158 0.040) 1.413 2.290 ( 0.101 -0.545 -0.209) 0.592 2.721 ( -5.684 -8.574 0.002) 10.287 2.992 ( -0.530 -3.469 -1.114) 3.682 3.250 ( 1.545 2.833 0.099) 3.228 3.434 ( 0.738 2.353 0.252) 2.479 4.024 ( -2.494 -7.425 -0.467) 7.847 4.160 ( -0.506 -1.431 0.048) 1.518 5.193 ( 0.685 -0.507 -0.598) 1.042 5.232 ( 1.761 1.123 0.086) 2.090 5.265 ( -0.842 1.478 0.373) 1.742 5.286 ( -0.024 1.939 0.289) 1.960 5.847 ( -0.604 0.632 0.388) 0.956 5.931 ( -0.004 -0.525 -0.386) 0.651 7.300 ( 1.012 1.699 -0.010) 1.978 7.484 ( 0.905 1.179 0.461) 1.556 7.510 ( 1.497 1.164 -0.595) 1.987 7.689 ( -0.967 -0.345 0.191) 1.044 7.732 ( 0.100 -0.812 0.080) 0.822 7.767 ( -1.880 -3.519 0.119) 3.992 ======================= Grid point 345 (169/227) ======================= q-point: (-0.70 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.560 -0.000 0.529) 7.579 1.305 ( -6.690 0.000 1.154) 6.789 1.945 ( 12.285 -0.000 -0.265) 12.287 1.992 ( 6.006 -0.000 -0.348) 6.016 2.114 ( -1.004 0.000 -1.006) 1.421 2.373 ( -23.259 0.000 0.340) 23.262 2.702 ( 5.366 -0.000 -0.120) 5.367 2.797 ( 2.160 -0.000 -1.965) 2.920 2.839 ( -3.573 0.000 0.013) 3.573 3.619 ( 12.231 -0.000 -0.299) 12.235 3.793 ( -7.040 0.000 -0.277) 7.045 4.045 ( -2.076 0.000 -0.321) 2.101 5.120 ( -0.864 0.000 0.184) 0.884 5.310 ( 0.371 -0.000 0.472) 0.601 5.314 ( 0.357 -0.000 -0.105) 0.373 5.422 ( 0.424 -0.000 -0.209) 0.473 5.879 ( -0.677 0.000 -0.073) 0.681 5.888 ( 0.584 -0.000 0.131) 0.598 7.434 ( 2.130 -0.000 -0.012) 2.130 7.489 ( -2.354 0.000 0.045) 2.354 7.623 ( 0.351 -0.000 -0.284) 0.451 7.664 ( -1.072 0.000 -1.832) 2.123 7.692 ( 0.058 -0.000 0.370) 0.375 7.704 ( 0.690 -0.000 0.410) 0.803 ======================= Grid point 347 (170/227) ======================= q-point: (-0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -4.870 7.061 2.211) 8.858 1.314 ( 2.256 -4.238 0.886) 4.882 1.924 ( -7.874 8.744 0.872) 11.799 1.979 ( -2.868 4.769 -0.705) 5.609 2.133 ( 1.826 1.245 -0.230) 2.222 2.377 ( 12.060 -19.136 -0.079) 22.620 2.736 ( 1.388 5.232 -0.226) 5.418 2.756 ( -4.931 1.387 -0.067) 5.123 2.835 ( 1.678 -2.811 -1.673) 3.676 3.607 ( -6.443 8.533 -0.380) 10.699 3.808 ( 4.104 -4.864 -0.641) 6.396 4.043 ( 0.925 -2.136 -0.545) 2.390 5.117 ( 0.071 -0.513 0.200) 0.555 5.308 ( -0.618 0.338 0.334) 0.780 5.318 ( 0.298 0.330 0.118) 0.459 5.419 ( -0.313 0.755 0.048) 0.819 5.874 ( 0.130 0.065 -0.107) 0.181 5.895 ( 0.079 -0.377 -0.113) 0.402 7.447 ( -0.563 1.660 0.021) 1.753 7.482 ( 1.074 -2.127 0.073) 2.384 7.624 ( -0.162 0.498 -0.855) 1.002 7.637 ( -0.701 0.022 -1.703) 1.842 7.689 ( -0.552 0.156 0.200) 0.608 7.709 ( -0.107 -0.137 -0.402) 0.438 ======================= Grid point 348 (171/227) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -4.166 9.148 3.255) 10.566 1.314 ( -5.660 3.095 1.375) 6.596 1.751 ( -7.225 -7.162 0.452) 10.183 1.922 ( 3.052 9.358 -0.129) 9.844 2.219 ( 8.290 3.674 -0.020) 9.067 2.595 ( -7.295 6.724 0.043) 9.921 2.700 ( 3.825 0.923 -0.385) 3.953 2.777 ( 9.596 -14.042 0.184) 17.008 2.873 ( 0.833 -2.235 -1.287) 2.710 3.430 ( -7.233 3.873 -0.223) 8.208 3.843 ( -4.634 -5.545 -0.959) 7.289 4.106 ( 5.310 0.519 -0.703) 5.381 5.132 ( 0.981 -0.730 0.138) 1.230 5.288 ( -1.597 0.363 0.331) 1.670 5.322 ( 0.814 0.918 0.287) 1.260 5.401 ( -0.637 1.598 0.315) 1.749 5.878 ( 0.386 0.293 -0.106) 0.496 5.899 ( 0.006 -0.766 -0.326) 0.833 7.417 ( -0.812 2.161 0.051) 2.309 7.529 ( 1.513 -2.973 0.091) 3.338 7.594 ( -0.853 1.528 -1.624) 2.387 7.625 ( -0.536 0.290 -1.300) 1.436 7.679 ( -0.557 -0.311 0.462) 0.788 7.705 ( -0.427 -0.799 -1.088) 1.416 ======================= Grid point 349 (172/227) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -1.624 9.140 3.684) 9.987 1.141 ( -7.145 8.303 1.750) 11.093 1.808 ( 2.472 -4.303 -0.024) 4.963 1.877 ( 0.786 5.603 0.113) 5.659 2.286 ( 4.002 4.231 0.059) 5.824 2.406 ( -6.123 8.008 0.437) 10.090 2.698 ( 2.880 4.486 0.059) 5.331 2.882 ( -0.780 -1.958 -1.192) 2.421 3.099 ( 7.992 -14.923 0.010) 16.928 3.332 ( -2.564 -1.891 0.225) 3.194 3.790 ( -6.845 -5.817 -0.936) 9.032 4.165 ( 3.431 1.595 -0.952) 3.901 5.158 ( 1.366 -0.528 -0.111) 1.469 5.259 ( -1.528 0.478 0.345) 1.637 5.329 ( 0.904 1.238 0.485) 1.607 5.374 ( -0.805 2.260 0.474) 2.446 5.877 ( -0.024 0.362 -0.084) 0.373 5.907 ( 0.176 -0.818 -0.362) 0.912 7.384 ( -0.607 2.590 0.081) 2.661 7.557 ( -0.516 1.742 -1.225) 2.191 7.569 ( -0.041 -0.208 -0.782) 0.810 7.611 ( 0.004 -2.053 -0.483) 2.109 7.685 ( 0.042 -1.181 0.466) 1.270 7.700 ( -0.685 -1.236 -1.266) 1.898 ======================= Grid point 350 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.977 7.150 3.392) 7.974 1.010 ( 0.947 10.160 1.511) 10.315 1.691 ( 0.190 23.529 -0.342) 23.532 1.980 ( 0.336 -14.956 0.152) 14.960 2.274 ( 0.394 4.320 -0.046) 4.338 2.302 ( -0.650 3.615 0.780) 3.755 2.696 ( -0.352 2.913 0.694) 3.015 2.892 ( 0.842 -2.707 -1.450) 3.185 3.224 ( -0.458 -5.414 -0.615) 5.468 3.408 ( 0.986 -6.781 0.772) 6.895 3.771 ( -1.066 -8.029 -0.464) 8.113 4.175 ( 0.411 1.602 -1.047) 1.957 5.177 ( 0.602 -0.296 -0.488) 0.829 5.242 ( 0.132 0.670 0.326) 0.757 5.328 ( -0.503 1.069 0.594) 1.322 5.342 ( 0.005 2.973 0.466) 3.009 5.870 ( -0.360 0.458 0.095) 0.590 5.913 ( -0.034 -0.801 -0.352) 0.876 7.354 ( -0.036 2.645 0.079) 2.647 7.527 ( -0.230 2.102 -0.502) 2.173 7.548 ( 0.033 1.747 -1.368) 2.219 7.650 ( 0.023 -4.166 0.262) 4.174 7.693 ( -0.988 -1.531 -0.844) 2.008 7.701 ( 0.120 -1.397 0.302) 1.434 ======================= Grid point 351 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 1.478 5.230 2.796) 6.112 0.988 ( 7.502 13.000 0.389) 15.014 1.496 ( 4.702 21.447 -0.270) 21.958 2.087 ( -2.326 -10.158 -0.210) 10.423 2.253 ( 1.235 1.751 0.037) 2.143 2.294 ( 1.120 1.863 0.636) 2.264 2.643 ( -3.453 0.277 0.118) 3.466 2.933 ( 0.948 -2.838 -1.251) 3.244 3.271 ( 2.396 -2.167 -0.064) 3.232 3.400 ( -6.731 -4.963 0.092) 8.363 3.887 ( 3.634 -7.265 0.036) 8.124 4.145 ( -1.909 0.263 -0.663) 2.037 5.182 ( 0.056 -0.641 -0.600) 0.880 5.253 ( 1.868 1.069 0.053) 2.153 5.295 ( -1.744 1.505 0.670) 2.399 5.328 ( 0.695 2.671 0.230) 2.770 5.858 ( -0.602 0.586 0.364) 0.915 5.918 ( -0.004 -0.796 -0.349) 0.869 7.337 ( 0.793 2.336 0.046) 2.467 7.512 ( 0.689 1.748 0.291) 1.902 7.536 ( 1.294 1.594 -1.138) 2.347 7.673 ( -0.955 -1.889 0.437) 2.162 7.694 ( -1.343 -3.488 -0.332) 3.752 7.715 ( -0.217 -1.259 0.264) 1.305 ======================= Grid point 352 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 1.969 4.947 1.962) 5.675 0.972 ( 6.563 13.278 -0.521) 14.820 1.514 ( 17.399 13.604 -0.757) 22.100 2.090 ( -6.617 -6.560 -0.559) 9.334 2.257 ( -1.026 0.462 -0.482) 1.224 2.291 ( 1.895 2.556 0.754) 3.270 2.628 ( 1.051 -2.111 -0.538) 2.419 2.942 ( -1.822 -1.830 -1.027) 2.779 3.287 ( -1.886 2.324 0.455) 3.027 3.383 ( -2.166 -9.224 -0.097) 9.475 3.917 ( -5.521 -1.337 -0.791) 5.736 4.152 ( 1.916 -2.524 0.659) 3.237 5.191 ( 0.418 -1.029 -0.576) 1.251 5.259 ( -1.451 1.391 0.619) 2.103 5.280 ( 2.573 0.748 -0.090) 2.681 5.314 ( 0.637 2.579 -0.031) 2.657 5.848 ( -0.264 0.563 0.520) 0.811 5.924 ( 0.006 -0.605 -0.282) 0.667 7.337 ( 1.534 1.856 0.022) 2.408 7.521 ( 1.802 1.121 0.808) 2.271 7.548 ( 2.182 1.080 -0.684) 2.529 7.672 ( -0.882 -0.727 0.885) 1.445 7.695 ( -2.921 -3.477 0.214) 4.547 7.721 ( -0.346 -1.172 -0.273) 1.252 ======================= Grid point 357 (176/227) ======================= q-point: (-0.60 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -4.835 0.000 3.810) 6.155 1.319 ( 0.578 -0.000 -0.070) 0.582 1.677 ( -15.516 0.000 0.975) 15.546 2.008 ( 2.186 -0.000 -0.214) 2.197 2.377 ( 9.514 -0.000 0.439) 9.524 2.455 ( 15.656 -0.000 -0.420) 15.662 2.673 ( -5.691 0.000 0.047) 5.691 2.797 ( 1.650 -0.000 0.336) 1.684 2.826 ( 1.088 -0.000 -2.305) 2.549 3.478 ( -12.390 0.000 -0.001) 12.390 3.774 ( -3.346 0.000 -1.348) 3.607 4.114 ( 6.414 -0.000 -0.725) 6.455 5.125 ( 1.150 -0.000 0.136) 1.158 5.291 ( -1.637 0.000 0.349) 1.674 5.331 ( 0.815 -0.000 0.234) 0.848 5.417 ( -0.554 0.000 0.430) 0.701 5.882 ( 0.718 -0.000 -0.118) 0.727 5.890 ( -0.272 0.000 -0.281) 0.391 7.446 ( -0.603 0.000 0.086) 0.609 7.492 ( 1.346 -0.000 0.058) 1.347 7.613 ( -0.692 0.000 -2.057) 2.170 7.624 ( 0.039 -0.000 -1.102) 1.103 7.679 ( -0.810 0.000 0.269) 0.853 7.695 ( -0.970 0.000 -0.990) 1.386 ======================= Grid point 359 (177/227) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -2.643 5.398 3.658) 7.036 1.273 ( -3.616 6.877 0.260) 7.774 1.568 ( -4.241 -11.899 0.687) 12.651 2.044 ( 4.073 4.216 0.001) 5.862 2.425 ( 5.018 9.031 0.234) 10.334 2.550 ( -3.553 7.594 -0.005) 8.384 2.783 ( 7.201 -5.980 0.188) 9.362 2.796 ( 3.439 -2.898 -0.733) 4.557 2.865 ( 3.740 -3.973 -1.190) 5.585 3.282 ( -11.618 -2.624 0.386) 11.917 3.711 ( -4.686 -2.294 -1.324) 5.383 4.190 ( 3.773 0.826 -1.020) 3.995 5.151 ( 1.674 -0.246 -0.106) 1.695 5.264 ( -1.629 0.138 0.369) 1.676 5.344 ( 0.693 0.407 0.410) 0.903 5.406 ( -0.575 0.998 0.682) 1.339 5.883 ( -0.157 0.216 -0.275) 0.383 5.895 ( 0.396 -0.426 -0.134) 0.597 7.429 ( -0.284 2.071 0.101) 2.093 7.523 ( 0.855 -2.523 0.123) 2.667 7.590 ( -0.190 1.161 -1.826) 2.172 7.612 ( -0.674 0.470 -1.688) 1.877 7.670 ( -0.450 -0.329 0.388) 0.679 7.677 ( -1.051 -1.000 -0.894) 1.704 ======================= Grid point 360 (178/227) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 1.558 8.426 2.397) 8.898 1.164 ( 0.514 7.808 0.856) 7.872 1.685 ( 0.127 -16.229 0.294) 16.232 2.023 ( 0.723 10.845 -0.455) 10.879 2.395 ( -0.086 5.636 0.772) 5.689 2.411 ( -0.784 11.869 -0.137) 11.896 2.775 ( -0.885 5.033 0.632) 5.149 2.850 ( 1.103 -2.091 -1.577) 2.842 3.053 ( -0.338 -12.263 -0.613) 12.283 3.243 ( 0.592 -9.882 0.778) 9.930 3.674 ( -1.089 -2.770 -0.780) 3.077 4.207 ( 0.546 1.547 -1.202) 2.034 5.172 ( 0.486 -0.300 -0.449) 0.726 5.251 ( 0.272 0.259 0.330) 0.500 5.343 ( -0.705 0.598 0.634) 1.121 5.390 ( 0.134 2.040 0.638) 2.142 5.877 ( -0.181 0.269 -0.112) 0.343 5.900 ( -0.174 -0.583 -0.118) 0.619 7.404 ( -0.039 2.716 0.117) 2.719 7.557 ( 0.245 -1.887 -0.438) 1.953 7.568 ( -0.070 1.554 -0.832) 1.763 7.589 ( -0.268 -0.373 -1.377) 1.452 7.667 ( -0.943 -1.362 -0.882) 1.876 7.677 ( -0.077 -1.084 0.637) 1.260 ======================= Grid point 361 (179/227) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 2.919 9.379 1.235) 9.900 1.180 ( 8.880 7.621 0.399) 11.709 1.805 ( -2.830 -2.667 -0.000) 3.889 1.892 ( -0.044 4.257 -0.411) 4.277 2.291 ( -3.793 3.453 -0.149) 5.132 2.391 ( 5.130 7.808 1.001) 9.396 2.691 ( -3.221 3.968 0.127) 5.112 2.889 ( 1.422 -2.050 -1.225) 2.780 3.102 ( -6.545 -14.631 -0.197) 16.029 3.340 ( 1.075 -2.325 0.028) 2.561 3.759 ( 6.222 -6.289 0.267) 8.851 4.168 ( -2.729 1.790 -1.116) 3.449 5.170 ( -0.523 -0.629 -0.534) 0.977 5.269 ( 2.022 0.627 -0.035) 2.117 5.317 ( -1.873 0.905 0.881) 2.259 5.379 ( 0.683 2.594 0.297) 2.699 5.868 ( -0.556 0.487 0.279) 0.790 5.903 ( -0.087 -0.863 -0.257) 0.904 7.383 ( 0.481 2.607 0.099) 2.653 7.545 ( 0.226 1.724 -0.108) 1.742 7.564 ( 0.981 1.037 -1.431) 2.021 7.605 ( -0.691 -3.711 0.023) 3.774 7.662 ( -0.910 -1.158 0.059) 1.473 7.691 ( -0.082 -1.346 0.325) 1.387 ======================= Grid point 362 (180/227) ======================= q-point: (-0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 3.811 8.351 0.574) 9.197 1.230 ( 6.472 12.953 -0.555) 14.491 1.722 ( 6.542 9.412 -0.160) 11.463 1.935 ( -5.166 -9.264 -0.323) 10.612 2.234 ( -1.865 -2.272 -0.490) 2.980 2.404 ( 4.935 9.047 1.099) 10.364 2.637 ( 0.997 2.446 -0.418) 2.674 2.908 ( -0.731 -1.926 -0.998) 2.289 3.121 ( -9.289 -17.117 -0.392) 19.479 3.347 ( 1.585 3.398 0.338) 3.765 3.898 ( 1.448 -2.611 -0.022) 2.986 4.105 ( -1.563 -1.431 -0.084) 2.121 5.170 ( -0.060 -1.155 -0.597) 1.302 5.283 ( -1.643 1.175 0.860) 2.195 5.296 ( 2.232 0.818 -0.287) 2.394 5.364 ( 0.533 2.780 0.002) 2.831 5.857 ( -0.429 0.435 0.474) 0.774 5.911 ( 0.167 -0.814 -0.269) 0.874 7.375 ( 1.154 2.173 0.088) 2.462 7.543 ( 1.014 1.096 0.541) 1.588 7.569 ( 1.661 0.995 -1.167) 2.261 7.621 ( -1.613 -3.538 0.203) 3.894 7.661 ( -0.696 -0.845 0.894) 1.414 7.700 ( -0.442 -1.182 0.153) 1.271 ======================= Grid point 363 (181/227) ======================= q-point: (-0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 4.673 7.338 0.104) 8.701 1.161 ( 2.971 11.921 -0.590) 12.300 1.833 ( -3.995 -5.467 -1.015) 6.847 1.882 ( 6.469 2.665 -0.555) 7.019 2.270 ( 4.071 -0.940 -0.352) 4.193 2.400 ( 4.531 7.902 0.525) 9.124 2.674 ( 4.923 0.373 -0.598) 4.973 2.893 ( -2.211 -1.107 -0.747) 2.583 3.116 ( -9.106 -14.453 -0.572) 17.092 3.331 ( -2.453 1.203 0.691) 2.818 3.809 ( -7.910 2.386 -0.572) 8.281 4.180 ( 4.097 -3.503 1.015) 5.485 5.182 ( 0.235 -1.371 -0.615) 1.520 5.255 ( -0.838 1.236 0.729) 1.662 5.317 ( 1.217 0.836 -0.516) 1.564 5.352 ( 1.293 2.073 -0.023) 2.443 5.854 ( 0.290 0.323 0.458) 0.631 5.917 ( -0.050 -0.522 -0.198) 0.560 7.380 ( 1.748 1.749 0.088) 2.474 7.558 ( 0.759 -0.023 0.659) 1.005 7.585 ( 1.608 0.313 -0.846) 1.844 7.623 ( -1.369 -2.098 0.550) 2.565 7.664 ( -0.352 -0.467 1.475) 1.587 7.699 ( -0.835 -1.031 -0.187) 1.339 ======================= Grid point 369 (182/227) ======================= q-point: ( 0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 1.797 0.000 2.563) 3.130 1.313 ( 0.729 0.000 -0.889) 1.150 1.453 ( -0.320 0.000 1.358) 1.395 2.108 ( 0.910 0.000 -0.310) 0.962 2.456 ( -0.723 0.000 0.607) 0.944 2.630 ( -0.036 0.000 0.205) 0.208 2.768 ( 0.796 0.000 -1.539) 1.733 2.849 ( 0.788 0.000 0.288) 0.839 2.900 ( -2.978 -0.000 -0.820) 3.089 3.122 ( 1.147 -0.000 0.801) 1.400 3.651 ( -0.923 0.000 -0.926) 1.307 4.223 ( 0.574 0.000 -1.238) 1.365 5.168 ( 0.447 0.000 -0.421) 0.614 5.253 ( 0.300 0.000 0.321) 0.439 5.349 ( -0.746 0.000 0.640) 0.983 5.410 ( 0.148 0.000 0.704) 0.720 5.880 ( 0.033 0.000 -0.371) 0.373 5.894 ( -0.372 0.000 0.148) 0.401 7.439 ( -0.032 0.000 0.104) 0.109 7.518 ( 0.116 0.000 0.206) 0.237 7.590 ( 0.580 -0.000 -1.968) 2.052 7.595 ( -0.701 0.000 -1.468) 1.627 7.650 ( -0.774 -0.000 -0.869) 1.163 7.667 ( -0.363 0.000 0.957) 1.023 ======================= Grid point 371 (183/227) ======================= q-point: (-0.40 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 4.789 6.461 0.677) 8.071 1.291 ( 5.287 5.788 -0.302) 7.845 1.571 ( 3.727 -12.102 0.553) 12.675 2.062 ( -3.345 4.522 -0.721) 5.671 2.420 ( -4.977 8.858 0.495) 10.172 2.538 ( 2.486 8.303 0.396) 8.676 2.764 ( -6.630 1.141 0.397) 6.739 2.800 ( -5.793 -12.780 -0.952) 14.064 2.861 ( -1.494 -2.864 -0.441) 3.260 3.289 ( 10.748 -2.413 0.128) 11.016 3.677 ( 3.495 -2.311 -0.007) 4.190 4.195 ( -2.827 0.862 -1.245) 3.207 5.161 ( -0.865 -0.280 -0.479) 1.028 5.276 ( 2.128 0.155 -0.064) 2.135 5.329 ( -1.855 0.320 0.954) 2.110 5.415 ( 0.581 1.083 0.376) 1.286 5.877 ( -0.353 0.512 0.080) 0.627 5.888 ( -0.328 -0.693 -0.059) 0.769 7.429 ( 0.177 2.082 0.113) 2.092 7.527 ( -0.830 -2.565 0.002) 2.696 7.577 ( -0.051 1.026 -0.467) 1.128 7.592 ( 1.141 0.530 -1.852) 2.238 7.644 ( -0.289 -0.677 -0.028) 0.737 7.670 ( -0.250 -0.727 0.834) 1.135 ======================= Grid point 372 (184/227) ======================= q-point: (-0.30 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 3.845 9.848 -0.395) 10.579 1.378 ( 6.853 2.048 -0.910) 7.210 1.751 ( 7.042 -6.823 0.429) 9.815 1.931 ( -3.859 9.811 -0.438) 10.552 2.218 ( -8.171 2.491 -0.006) 8.542 2.573 ( 6.748 7.401 0.851) 10.051 2.677 ( -4.153 -1.183 0.254) 4.326 2.799 ( -8.597 -13.971 -0.727) 16.420 2.868 ( -0.851 -2.618 -0.809) 2.869 3.419 ( 6.225 4.252 0.193) 7.541 3.803 ( 5.379 -6.592 0.618) 8.531 4.108 ( -5.593 1.003 -0.845) 5.745 5.151 ( -0.520 -0.799 -0.558) 1.104 5.300 ( -1.536 0.671 0.980) 1.942 5.307 ( 2.011 0.368 -0.296) 2.066 5.410 ( 0.392 1.924 0.020) 1.963 5.864 ( -0.657 0.338 0.431) 0.855 5.896 ( 0.346 -0.704 -0.239) 0.820 7.415 ( 0.645 2.214 0.113) 2.309 7.533 ( -1.434 -2.734 -0.105) 3.089 7.574 ( 0.665 0.588 0.157) 0.902 7.600 ( 1.454 0.601 -1.263) 2.018 7.648 ( -0.105 -0.379 0.993) 1.068 7.678 ( -0.289 -1.079 0.584) 1.260 ======================= Grid point 373 (185/227) ======================= q-point: (-0.20 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 3.924 8.609 -0.613) 9.481 1.377 ( -0.241 7.899 -1.101) 7.979 1.752 ( -10.819 1.562 0.084) 10.932 1.929 ( 10.955 1.908 -0.361) 11.126 2.207 ( 5.610 -5.240 -0.362) 7.685 2.563 ( 1.451 7.972 0.812) 8.144 2.691 ( 3.178 -1.542 0.088) 3.534 2.794 ( -8.236 -15.145 -0.992) 17.268 2.865 ( -1.937 -2.495 -0.623) 3.219 3.421 ( 0.479 7.583 0.589) 7.621 3.845 ( -6.295 0.275 -0.361) 6.311 4.091 ( 3.282 -5.319 0.806) 6.302 5.155 ( 0.127 -1.350 -0.607) 1.486 5.277 ( -0.840 1.112 0.851) 1.633 5.329 ( 1.368 0.427 -0.536) 1.530 5.394 ( 0.195 2.217 -0.123) 2.229 5.859 ( 0.132 0.198 0.409) 0.473 5.906 ( 0.206 -0.636 -0.201) 0.698 7.413 ( 1.237 1.739 0.134) 2.138 7.532 ( -1.731 -2.596 -0.018) 3.120 7.587 ( 1.215 0.224 0.202) 1.252 7.613 ( 1.388 0.452 -0.555) 1.561 7.657 ( 0.050 -0.185 1.645) 1.656 7.683 ( -0.612 -0.807 0.420) 1.097 ======================= Grid point 374 (186/227) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.144 6.256 0.030) 6.258 1.311 ( 5.290 9.191 -1.071) 10.658 1.553 ( -14.999 -4.069 0.010) 15.541 2.055 ( 5.517 -0.930 -1.242) 5.731 2.393 ( 9.239 0.606 0.326) 9.265 2.550 ( 7.014 4.887 0.089) 8.549 2.770 ( 5.830 0.405 -0.137) 5.846 2.791 ( -8.241 -12.695 -0.989) 15.167 2.862 ( -2.241 -6.661 -0.440) 7.042 3.283 ( -8.823 8.565 0.723) 12.317 3.727 ( -4.084 2.130 -0.120) 4.608 4.212 ( 3.547 -4.513 1.083) 5.841 5.169 ( 0.241 -1.283 -0.507) 1.400 5.261 ( -0.301 1.143 0.551) 1.304 5.332 ( 0.018 0.900 -0.675) 1.125 5.384 ( 0.655 1.038 -0.014) 1.228 5.867 ( 0.790 0.182 0.223) 0.841 5.910 ( -0.185 -0.402 -0.127) 0.460 7.422 ( 1.371 1.151 0.130) 1.795 7.525 ( -1.720 -1.934 -0.027) 2.588 7.609 ( 1.564 -0.013 -0.070) 1.566 7.629 ( 0.978 0.109 0.107) 0.990 7.668 ( -0.064 -0.257 1.705) 1.726 7.679 ( -0.569 -0.331 0.300) 0.723 ======================= Grid point 381 (187/227) ======================= q-point: ( 0.60 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 4.943 -0.000 -0.856) 5.016 1.343 ( 0.186 -0.000 -0.991) 1.008 1.682 ( 15.642 -0.000 0.734) 15.659 2.027 ( -2.412 0.000 -0.935) 2.587 2.389 ( -8.914 0.000 0.030) 8.914 2.422 ( -16.883 0.000 0.860) 16.905 2.661 ( 5.372 -0.000 0.519) 5.397 2.776 ( -0.652 0.000 -0.460) 0.798 2.821 ( -1.742 0.000 -0.633) 1.854 3.474 ( 11.574 -0.000 0.173) 11.576 3.722 ( 3.220 -0.000 0.656) 3.286 4.120 ( -6.221 0.000 -0.985) 6.299 5.143 ( -0.701 0.000 -0.533) 0.881 5.307 ( -1.553 0.000 1.109) 1.909 5.310 ( 2.024 -0.000 -0.370) 2.058 5.428 ( 0.333 -0.000 0.033) 0.335 5.868 ( -0.908 0.000 0.420) 1.000 5.888 ( 0.567 -0.000 -0.233) 0.613 7.445 ( 0.444 -0.000 0.134) 0.464 7.495 ( -1.401 0.000 -0.102) 1.405 7.582 ( 0.193 -0.000 0.308) 0.364 7.606 ( 1.464 -0.000 -1.790) 2.313 7.647 ( 0.563 -0.000 0.813) 0.989 7.666 ( -0.360 0.000 1.020) 1.081 ======================= Grid point 383 (188/227) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 1.093 7.727 -0.962) 7.863 1.375 ( -0.842 -5.329 -1.373) 5.567 1.936 ( 3.477 11.663 0.319) 12.175 1.978 ( 5.444 4.457 -0.483) 7.052 2.120 ( -1.041 -1.046 0.186) 1.487 2.373 ( -11.966 -19.802 0.103) 23.137 2.714 ( 0.785 5.734 0.500) 5.809 2.759 ( 3.519 1.081 -0.310) 3.694 2.810 ( -2.354 -3.581 -0.476) 4.311 3.584 ( 5.441 9.096 0.472) 10.609 3.782 ( -1.519 -6.627 0.436) 6.813 4.027 ( -2.848 -1.297 0.018) 3.130 5.137 ( -0.052 -0.560 -0.561) 0.794 5.293 ( -0.634 0.470 0.975) 1.254 5.333 ( 1.180 0.059 -0.531) 1.296 5.425 ( -0.162 0.959 -0.183) 0.989 5.862 ( 0.019 0.079 0.392) 0.401 5.897 ( 0.350 -0.303 -0.202) 0.505 7.445 ( 0.601 1.769 0.107) 1.871 7.485 ( -1.244 -2.286 -0.058) 2.603 7.590 ( 0.537 0.050 0.682) 0.870 7.622 ( 1.559 0.289 -1.284) 2.041 7.659 ( 0.329 0.383 1.443) 1.529 7.669 ( -0.206 -0.634 0.968) 1.175 ======================= Grid point 384 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -4.753 3.979 0.005) 6.198 1.381 ( -0.753 -0.561 -1.486) 1.758 1.659 ( -8.835 14.566 0.581) 17.046 2.027 ( 1.709 -1.577 -0.927) 2.503 2.351 ( 1.358 -9.316 0.213) 9.417 2.442 ( 11.018 -12.298 -0.289) 16.515 2.648 ( -2.717 3.421 0.066) 4.370 2.795 ( -3.203 -3.447 -0.114) 4.707 2.815 ( 4.328 2.118 -0.106) 4.820 3.476 ( -6.313 10.904 0.616) 12.614 3.762 ( -2.030 1.306 -0.009) 2.414 4.099 ( 3.844 -6.933 1.058) 7.998 5.146 ( 0.531 -1.059 -0.471) 1.275 5.283 ( -0.349 1.065 0.637) 1.289 5.341 ( 0.155 0.096 -0.669) 0.694 5.407 ( -0.568 1.237 -0.106) 1.366 5.870 ( 0.898 0.156 0.210) 0.936 5.902 ( -0.064 -0.467 -0.178) 0.504 7.436 ( -0.547 0.343 0.006) 0.646 7.495 ( 0.536 -1.123 0.067) 1.246 7.604 ( 0.628 -0.373 0.537) 0.907 7.637 ( 1.355 0.530 -0.641) 1.590 7.665 ( -0.382 -0.124 1.483) 1.537 7.677 ( 0.141 0.028 1.014) 1.025 ======================= Grid point 385 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -8.276 0.986 0.978) 8.392 1.275 ( -12.428 -0.229 0.621) 12.445 1.548 ( 9.363 9.583 -0.799) 13.421 2.057 ( -1.699 -4.340 -0.810) 4.731 2.382 ( -5.674 -9.899 0.380) 11.416 2.532 ( -9.213 -2.133 -0.302) 9.462 2.779 ( -2.741 -4.444 0.071) 5.222 2.804 ( 15.637 0.739 -0.464) 15.662 2.864 ( 7.184 -1.452 -0.065) 7.330 3.269 ( -4.392 11.853 0.584) 12.654 3.722 ( -0.095 3.734 0.146) 3.739 4.215 ( 1.958 -5.469 0.993) 5.893 5.164 ( 0.632 -0.897 -0.251) 1.126 5.268 ( -0.485 1.078 0.310) 1.222 5.329 ( -0.690 0.498 -0.690) 1.095 5.388 ( -0.863 0.260 0.029) 0.902 5.881 ( 0.413 0.286 -0.129) 0.519 5.905 ( 0.333 -0.381 -0.063) 0.510 7.421 ( -1.693 -0.989 -0.078) 1.962 7.522 ( 2.282 0.494 0.171) 2.341 7.614 ( -0.551 -0.819 0.025) 0.988 7.646 ( 0.520 0.590 0.114) 0.794 7.670 ( 0.449 -0.169 0.975) 1.087 7.684 ( 0.290 0.160 0.804) 0.869 ======================= Grid point 393 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -9.340 0.000 0.122) 9.341 1.378 ( 2.961 -0.000 -1.487) 3.314 1.915 ( -12.614 0.000 0.760) 12.637 2.001 ( -4.844 0.000 -0.716) 4.897 2.102 ( -1.078 0.000 -0.480) 1.180 2.378 ( 24.067 -0.000 0.156) 24.067 2.709 ( -6.151 0.000 -0.282) 6.158 2.737 ( -1.811 0.000 0.352) 1.845 2.835 ( 3.818 -0.000 0.028) 3.818 3.604 ( -11.263 0.000 0.325) 11.268 3.771 ( 6.621 -0.000 0.557) 6.644 4.015 ( 1.880 -0.000 0.815) 2.050 5.136 ( 0.567 -0.000 -0.434) 0.714 5.294 ( -0.217 0.000 0.704) 0.737 5.340 ( 0.069 -0.000 -0.650) 0.653 5.420 ( -0.915 0.000 -0.174) 0.931 5.872 ( 1.015 -0.000 0.232) 1.041 5.897 ( -0.100 0.000 -0.219) 0.241 7.438 ( -2.077 0.000 -0.143) 2.082 7.485 ( 2.200 -0.000 0.210) 2.209 7.600 ( 0.364 -0.000 0.619) 0.718 7.642 ( 1.392 -0.000 -0.641) 1.533 7.664 ( -0.477 0.000 1.450) 1.526 7.678 ( 0.400 -0.000 1.088) 1.159 ======================= Grid point 394 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -11.969 -0.770 1.239) 12.058 1.336 ( -8.363 4.014 0.700) 9.303 1.729 ( 2.022 9.808 -0.821) 10.048 1.937 ( -7.944 -8.683 -0.241) 11.771 2.179 ( 1.705 -7.309 -0.340) 7.513 2.558 ( -9.968 2.269 0.177) 10.225 2.703 ( -0.336 -3.032 0.614) 3.112 2.787 ( 20.653 -0.992 -0.158) 20.678 2.874 ( 1.780 0.773 -0.233) 1.955 3.423 ( -7.384 4.172 0.306) 8.487 3.824 ( 3.048 6.144 0.605) 6.886 4.093 ( 2.655 -6.442 0.948) 7.032 5.150 ( 1.006 -0.493 -0.208) 1.140 5.287 ( -0.632 0.745 0.382) 1.049 5.331 ( -0.779 -0.149 -0.767) 1.103 5.396 ( -1.652 0.390 0.014) 1.697 5.888 ( 0.103 0.354 -0.193) 0.416 5.897 ( 0.876 -0.457 -0.076) 0.991 7.405 ( -2.215 -0.534 -0.150) 2.284 7.529 ( 3.138 0.223 0.241) 3.155 7.603 ( -0.660 -0.322 0.321) 0.802 7.655 ( 0.226 0.287 0.443) 0.575 7.668 ( 0.190 -0.097 1.407) 1.423 7.688 ( 0.761 0.185 0.140) 0.796 ======================= Grid point 395 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -11.222 -2.304 2.754) 11.782 1.103 ( -13.669 3.737 2.005) 14.312 1.774 ( 5.203 0.288 -0.509) 5.236 1.874 ( -7.859 -5.660 0.017) 9.685 2.243 ( -0.878 -4.577 0.033) 4.661 2.377 ( -9.396 0.547 0.474) 9.424 2.697 ( -2.416 -3.219 0.266) 4.034 2.882 ( 1.230 1.393 -0.393) 1.899 3.127 ( 17.385 0.263 -0.203) 17.388 3.326 ( 0.722 3.983 0.232) 4.055 3.793 ( 2.070 7.829 0.426) 8.109 4.186 ( 0.666 -5.822 0.759) 5.909 5.170 ( 0.944 -0.443 0.052) 1.044 5.266 ( -0.992 0.874 0.148) 1.330 5.313 ( -1.017 -0.111 -0.699) 1.239 5.363 ( -2.260 -0.105 0.064) 2.263 5.878 ( -0.603 0.013 -0.303) 0.675 5.918 ( 1.224 0.009 -0.225) 1.245 7.376 ( -2.235 -1.093 -0.134) 2.492 7.575 ( 2.545 0.627 0.236) 2.632 7.587 ( -1.915 -0.544 0.198) 2.000 7.652 ( -0.074 0.478 0.667) 0.824 7.684 ( 0.787 -0.320 0.834) 1.191 7.701 ( 1.350 0.559 -0.398) 1.515 ======================= Grid point 404 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -11.466 0.000 3.157) 11.892 1.167 ( -15.773 0.000 2.113) 15.914 1.692 ( -14.805 0.000 0.575) 14.816 1.878 ( 9.200 -0.000 -1.158) 9.272 2.202 ( 2.792 -0.000 -0.027) 2.792 2.386 ( -10.538 0.000 0.640) 10.558 2.662 ( -1.856 0.000 0.672) 1.974 2.896 ( 1.174 -0.000 -0.423) 1.248 3.128 ( 19.820 -0.000 -0.178) 19.821 3.356 ( -3.269 0.000 -0.035) 3.270 3.910 ( 2.254 -0.000 0.944) 2.444 4.096 ( 1.943 -0.000 0.602) 2.035 5.165 ( 1.189 -0.000 0.065) 1.191 5.278 ( -1.213 0.000 0.268) 1.242 5.309 ( -1.161 0.000 -0.908) 1.473 5.364 ( -2.538 0.000 0.098) 2.540 5.878 ( -0.709 0.000 -0.342) 0.787 5.918 ( 1.430 -0.000 -0.247) 1.451 7.365 ( -2.259 0.000 -0.138) 2.263 7.580 ( 2.187 -0.000 0.282) 2.205 7.582 ( -1.965 0.000 0.398) 2.005 7.657 ( 0.278 -0.000 0.779) 0.827 7.681 ( 0.745 -0.000 0.891) 1.162 7.707 ( 1.484 -0.000 -0.532) 1.577 ======================= Grid point 405 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -6.728 -0.872 5.397) 8.669 0.896 ( -17.007 1.747 2.803) 17.325 1.432 ( -23.469 -9.078 1.566) 25.212 2.025 ( 10.151 1.695 -0.280) 10.295 2.226 ( -0.124 0.165 0.115) 0.236 2.277 ( -3.388 -0.013 0.790) 3.479 2.661 ( 0.811 -0.844 0.280) 1.204 2.916 ( 2.168 0.756 -0.331) 2.320 3.303 ( 0.433 2.629 -0.373) 2.691 3.390 ( 8.303 -2.412 -0.174) 8.648 3.920 ( 4.381 6.794 0.748) 8.119 4.150 ( 0.829 -4.264 0.431) 4.366 5.184 ( 0.835 -0.070 0.264) 0.879 5.253 ( -1.530 0.398 0.176) 1.591 5.291 ( -0.828 -0.484 -0.794) 1.245 5.320 ( -2.849 -0.073 -0.007) 2.850 5.866 ( -0.523 -0.093 -0.380) 0.653 5.934 ( 0.867 0.123 -0.427) 0.974 7.333 ( -2.112 -0.608 -0.094) 2.200 7.548 ( -2.512 -0.283 0.363) 2.554 7.578 ( -2.056 -0.237 0.083) 2.072 7.693 ( 3.656 0.872 0.521) 3.795 7.697 ( 0.765 -0.194 0.207) 0.816 7.725 ( 1.276 0.338 -0.487) 1.407 ======================= Grid point 415 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -17.438 0.000 3.509) 17.787 0.690 ( -1.044 0.000 7.402) 7.475 0.982 ( -27.335 0.000 2.765) 27.474 2.150 ( 4.794 -0.000 0.460) 4.816 2.216 ( -1.259 0.000 -0.296) 1.293 2.266 ( 0.486 -0.000 0.984) 1.097 2.732 ( 8.100 -0.000 0.100) 8.101 2.962 ( 3.262 -0.000 0.097) 3.264 3.281 ( -2.587 0.000 -0.764) 2.698 3.438 ( -2.005 0.000 -0.198) 2.015 4.048 ( 6.761 -0.000 0.624) 6.790 4.151 ( 1.352 -0.000 0.230) 1.371 5.196 ( 0.419 -0.000 0.307) 0.520 5.225 ( -2.153 0.000 0.137) 2.157 5.277 ( -0.157 0.000 -0.680) 0.698 5.277 ( -2.267 0.000 -0.082) 2.268 5.857 ( -0.287 0.000 -0.367) 0.466 5.942 ( 0.372 -0.000 -0.539) 0.655 7.298 ( -1.795 0.000 -0.044) 1.795 7.510 ( -2.233 0.000 0.362) 2.263 7.534 ( -2.876 0.000 -0.309) 2.893 7.706 ( 0.413 -0.000 -0.225) 0.471 7.735 ( 0.393 -0.000 0.043) 0.396 7.765 ( 3.740 -0.000 0.221) 3.747 ======================= Grid point 416 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 0.000 -0.000 0.000) 0.000 0.427 ( 0.000 -0.000 0.000) 0.000 0.859 ( 0.000 -0.000 0.000) 0.000 2.176 ( -0.000 0.000 0.000) 0.000 2.214 ( 0.000 -0.000 0.000) 0.000 2.296 ( 0.000 -0.000 0.000) 0.000 3.081 ( 0.000 -0.000 0.000) 0.000 3.103 ( 0.000 -0.000 0.000) 0.000 3.148 ( -0.000 0.000 -0.000) 0.000 3.188 ( -0.000 0.000 0.000) 0.000 4.181 ( -0.000 0.000 0.000) 0.000 4.192 ( -0.000 0.000 0.000) 0.000 5.180 ( -0.000 0.000 -0.000) 0.000 5.205 ( 0.000 -0.000 0.000) 0.000 5.242 ( 0.000 -0.000 0.000) 0.000 5.270 ( 0.000 -0.000 0.000) 0.000 5.846 ( -0.000 0.000 0.000) 0.000 5.935 ( -0.000 0.000 0.000) 0.000 7.265 ( 0.000 -0.000 0.000) 0.000 7.464 ( 0.000 -0.000 0.000) 0.000 7.478 ( 0.000 -0.000 0.000) 0.000 7.699 ( 0.000 -0.000 0.000) 0.000 7.746 ( 0.000 -0.000 0.000) 0.000 7.838 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 418 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 10.330 -6.196 -2.399) 12.282 0.713 ( 22.314 -13.364 -2.630) 26.142 0.830 ( -2.246 0.754 -1.113) 2.617 2.186 ( 0.680 0.010 0.390) 0.784 2.215 ( -0.596 -1.100 -0.613) 1.394 2.291 ( -0.177 0.366 -0.525) 0.664 2.879 ( -11.061 6.589 -0.512) 12.885 3.032 ( -3.457 2.289 -0.957) 4.255 3.212 ( 3.203 -1.896 1.085) 3.877 3.355 ( 7.558 -4.494 0.269) 8.797 4.128 ( -4.384 4.526 -0.406) 6.314 4.180 ( -0.789 -0.407 0.076) 0.891 5.192 ( 1.314 0.641 -0.375) 1.509 5.211 ( 0.715 -1.068 -0.101) 1.289 5.251 ( 0.884 -0.336 0.006) 0.945 5.268 ( -0.684 -0.833 0.566) 1.217 5.846 ( -0.203 -0.282 0.418) 0.544 5.934 ( -0.024 0.181 0.129) 0.224 7.277 ( 1.099 -0.649 -0.010) 1.276 7.481 ( 1.678 -0.338 0.534) 1.793 7.491 ( 1.454 -0.384 -0.196) 1.516 7.699 ( -0.254 -0.038 0.471) 0.537 7.743 ( -0.104 0.352 -0.200) 0.418 7.814 ( -2.162 1.313 -0.099) 2.531 ======================= Grid point 419 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 10.964 -5.251 -2.419) 12.395 0.798 ( 1.509 -1.277 -2.545) 3.223 1.210 ( 23.699 -14.756 -2.196) 28.004 2.158 ( -5.299 1.938 -0.460) 5.661 2.217 ( 0.294 -1.522 -0.370) 1.593 2.279 ( -0.116 0.439 -0.724) 0.855 2.692 ( -4.076 4.337 -0.281) 5.959 2.957 ( -3.182 1.434 -0.653) 3.551 3.268 ( 1.003 -1.016 0.917) 1.697 3.453 ( 1.154 -0.442 -0.029) 1.236 3.976 ( -7.522 6.162 -0.607) 9.743 4.182 ( 0.499 -0.859 0.243) 1.023 5.195 ( 0.360 0.699 -0.451) 0.907 5.240 ( 0.758 -0.873 -0.205) 1.174 5.275 ( 1.516 -0.225 -0.078) 1.534 5.278 ( 0.732 -1.637 0.815) 1.970 5.850 ( -0.025 -0.409 0.629) 0.750 5.931 ( -0.192 0.326 0.187) 0.422 7.309 ( 1.731 -1.162 0.008) 2.085 7.519 ( 2.370 -0.265 -0.054) 2.385 7.531 ( 2.593 -0.825 0.593) 2.785 7.696 ( -0.435 -0.002 0.825) 0.933 7.732 ( -0.510 0.739 -0.321) 0.953 7.750 ( -3.553 2.109 -0.093) 4.133 ======================= Grid point 420 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 5.074 -3.183 -2.176) 6.373 0.971 ( 10.017 -4.929 -2.337) 11.406 1.686 ( 20.528 -12.084 -1.367) 23.860 1.961 ( -13.017 6.013 -0.848) 14.364 2.251 ( 2.846 -1.681 -0.474) 3.339 2.301 ( 2.684 -2.236 -0.433) 3.520 2.673 ( 3.142 0.349 -0.177) 3.166 2.899 ( -2.461 0.912 -0.306) 2.642 3.246 ( -4.226 2.635 0.349) 4.992 3.397 ( -5.964 3.393 -0.094) 6.863 3.803 ( -6.576 4.266 -0.375) 7.848 4.216 ( 2.047 -1.404 0.304) 2.501 5.188 ( -0.235 0.538 -0.475) 0.756 5.250 ( 0.174 -0.347 0.298) 0.489 5.294 ( 0.648 -0.799 -0.036) 1.029 5.326 ( 2.650 -0.933 0.177) 2.815 5.859 ( 0.344 -0.295 0.584) 0.739 5.924 ( -0.448 0.307 0.150) 0.564 7.351 ( 2.012 -1.492 0.064) 2.506 7.559 ( 2.355 -0.305 -0.130) 2.378 7.579 ( 1.649 -0.349 0.532) 1.768 7.672 ( -2.922 2.245 -0.172) 3.689 7.694 ( -0.358 -0.011 0.832) 0.905 7.712 ( -1.130 0.703 -0.073) 1.333 ======================= Grid point 421 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 6.293 -3.609 -1.292) 7.369 1.146 ( 8.784 -4.668 -1.488) 10.058 1.667 ( -14.709 7.316 -0.282) 16.431 2.012 ( 9.060 -4.333 -0.519) 10.056 2.378 ( 10.086 -1.847 0.147) 10.255 2.397 ( 5.451 -8.512 -0.948) 10.153 2.747 ( 5.120 -1.248 -0.118) 5.271 2.854 ( -2.383 1.087 -0.054) 2.620 3.079 ( -9.410 7.924 -0.208) 12.304 3.230 ( -9.878 3.246 0.048) 10.398 3.709 ( -2.232 1.213 -0.000) 2.540 4.261 ( 1.642 -0.989 0.191) 1.926 5.176 ( -0.390 0.313 -0.294) 0.580 5.257 ( 0.282 -0.068 0.217) 0.363 5.308 ( 0.392 -0.437 -0.043) 0.589 5.370 ( 1.695 -0.569 0.037) 1.788 5.871 ( 0.517 -0.060 0.362) 0.634 5.914 ( -0.560 0.115 0.054) 0.574 7.399 ( 2.052 -1.535 0.122) 2.566 7.557 ( -2.628 1.594 -0.074) 3.074 7.598 ( 1.889 -0.385 -0.128) 1.932 7.645 ( 0.428 0.706 0.113) 0.833 7.687 ( -1.094 0.246 0.167) 1.133 7.696 ( 0.095 -0.050 0.472) 0.484 ======================= Grid point 422 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 0.000 0.000) 0.000 1.338 ( 0.000 -0.000 0.000) 0.000 1.405 ( -0.000 0.000 0.000) 0.000 2.085 ( -0.000 0.000 0.000) 0.000 2.447 ( -0.000 -0.000 0.000) 0.000 2.631 ( -0.000 -0.000 0.000) 0.000 2.752 ( -0.000 0.000 0.000) 0.000 2.822 ( -0.000 0.000 0.000) 0.000 2.932 ( -0.000 -0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.689 ( -0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 5.171 ( -0.000 -0.000 0.000) 0.000 5.260 ( -0.000 0.000 0.000) 0.000 5.313 ( -0.000 -0.000 0.000) 0.000 5.387 ( -0.000 0.000 0.000) 0.000 5.877 ( 0.000 -0.000 0.000) 0.000 5.908 ( -0.000 0.000 0.000) 0.000 7.431 ( 0.000 -0.000 0.000) 0.000 7.517 ( -0.000 0.000 0.000) 0.000 7.622 ( 0.000 -0.000 0.000) 0.000 7.639 ( -0.000 0.000 0.000) 0.000 7.678 ( -0.000 0.000 0.000) 0.000 7.700 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 429 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 16.685 -0.000 -2.864) 16.929 0.790 ( -1.248 0.000 -1.934) 2.301 1.045 ( 26.728 -0.000 -3.235) 26.923 2.166 ( -4.871 0.000 -1.022) 4.977 2.206 ( 1.084 -0.000 0.734) 1.309 2.288 ( 0.321 -0.000 -1.274) 1.314 2.739 ( -7.844 0.000 -0.556) 7.864 2.972 ( -3.733 0.000 -0.793) 3.816 3.260 ( 2.750 -0.000 1.201) 3.001 3.435 ( 2.241 -0.000 0.058) 2.242 4.059 ( -6.456 0.000 -0.411) 6.469 4.155 ( -1.322 0.000 -0.168) 1.333 5.202 ( -0.364 0.000 -0.238) 0.435 5.234 ( 2.551 -0.000 -0.680) 2.640 5.257 ( -0.517 0.000 1.128) 1.241 5.276 ( 2.290 -0.000 0.095) 2.292 5.846 ( 0.025 -0.000 0.684) 0.685 5.934 ( -0.239 0.000 0.201) 0.312 7.297 ( 1.779 -0.000 -0.011) 1.779 7.519 ( 2.429 -0.000 -0.469) 2.474 7.521 ( 2.806 -0.000 0.927) 2.955 7.696 ( -0.408 0.000 0.686) 0.798 7.739 ( -0.663 0.000 -0.114) 0.673 7.771 ( -3.630 0.000 -0.337) 3.646 ======================= Grid point 430 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 4.143 -0.494 -2.204) 4.719 0.954 ( 16.056 1.644 -2.606) 16.349 1.472 ( 22.200 -8.406 -2.132) 23.834 2.031 ( -10.711 1.519 -0.815) 10.849 2.230 ( 1.287 -0.349 -0.119) 1.339 2.295 ( 2.594 0.510 -0.993) 2.824 2.671 ( -0.234 -0.369 -0.660) 0.791 2.917 ( -2.343 0.755 -0.387) 2.491 3.290 ( 0.022 2.379 0.857) 2.529 3.389 ( -8.355 -2.522 -0.060) 8.728 3.934 ( -4.327 7.154 -0.572) 8.381 4.156 ( -0.675 -4.184 -0.101) 4.239 5.189 ( -1.083 -0.176 -0.196) 1.114 5.256 ( 1.159 0.827 0.296) 1.454 5.275 ( 1.030 -1.161 0.332) 1.587 5.321 ( 3.164 0.045 -0.084) 3.166 5.854 ( 0.472 -0.170 0.709) 0.868 5.928 ( -0.659 0.101 0.184) 0.692 7.331 ( 2.081 -0.586 0.015) 2.162 7.557 ( 2.555 -0.001 -0.443) 2.593 7.571 ( 2.390 -0.290 0.713) 2.510 7.693 ( -0.436 -0.050 0.629) 0.767 7.700 ( -3.841 0.697 0.104) 3.905 7.724 ( -1.081 0.526 -0.543) 1.319 ======================= Grid point 431 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 8.821 -1.758 -1.535) 9.125 1.145 ( 12.472 3.980 -1.866) 13.224 1.771 ( -7.301 1.327 -0.324) 7.428 1.881 ( 8.182 -6.498 -0.606) 10.466 2.256 ( 1.033 -4.841 -1.181) 5.089 2.385 ( 9.248 0.982 -0.256) 9.304 2.709 ( 3.004 -2.476 -0.803) 3.974 2.879 ( -1.166 1.378 -0.124) 1.810 3.122 ( -17.182 0.464 0.204) 17.189 3.328 ( -0.516 3.239 0.017) 3.280 3.802 ( -2.204 8.520 -0.371) 8.808 4.197 ( -0.409 -5.639 -0.200) 5.657 5.172 ( -1.323 -0.539 -0.035) 1.429 5.268 ( 1.157 0.998 0.129) 1.534 5.300 ( 0.886 -0.562 0.414) 1.128 5.366 ( 2.467 0.086 -0.229) 2.479 5.869 ( 0.698 -0.118 0.530) 0.885 5.914 ( -0.985 -0.029 0.098) 0.990 7.374 ( 2.217 -1.068 0.071) 2.462 7.577 ( -2.138 0.608 0.062) 2.224 7.593 ( 1.735 -0.206 -0.384) 1.789 7.659 ( 0.087 0.640 0.039) 0.647 7.690 ( -0.397 -0.033 0.142) 0.423 7.699 ( -0.924 0.451 -0.078) 1.031 ======================= Grid point 432 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 6.628 1.285 -0.334) 6.760 1.289 ( 9.964 0.116 -0.636) 9.985 1.538 ( -8.694 9.536 0.172) 12.906 2.047 ( 1.359 -3.978 0.080) 4.205 2.396 ( 5.778 -10.824 -0.955) 12.307 2.526 ( 8.476 -1.022 0.222) 8.540 2.786 ( -0.117 -3.637 -0.404) 3.661 2.798 ( -12.569 1.004 -0.079) 12.610 2.864 ( -6.889 -1.343 -0.095) 7.019 3.281 ( 4.629 11.632 -0.520) 12.530 3.723 ( -0.055 4.037 -0.018) 4.037 4.230 ( -1.728 -5.205 -0.411) 5.500 5.160 ( -1.030 -0.947 0.189) 1.413 5.273 ( 0.784 1.171 -0.155) 1.418 5.316 ( 0.525 0.131 0.508) 0.742 5.391 ( 0.981 0.423 -0.247) 1.097 5.879 ( 0.083 0.160 0.142) 0.229 5.904 ( -0.431 -0.439 0.082) 0.621 7.419 ( 1.817 -1.072 0.089) 2.111 7.525 ( -2.457 0.594 -0.098) 2.530 7.617 ( 0.806 -0.410 -0.218) 0.931 7.649 ( -0.932 0.809 -0.413) 1.302 7.681 ( 0.178 0.273 -0.200) 0.383 7.699 ( 0.257 -0.103 -0.127) 0.305 ======================= Grid point 433 (207/227) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -2.033 6.306 1.048) 6.708 1.286 ( -5.062 8.508 1.216) 9.974 1.555 ( 14.049 -2.841 -0.125) 14.334 2.037 ( -5.407 -0.669 0.475) 5.469 2.400 ( -10.577 0.451 -0.266) 10.590 2.550 ( -5.720 5.945 0.146) 8.252 2.766 ( -0.281 -2.035 0.249) 2.070 2.782 ( 3.125 -11.404 -0.141) 11.825 2.857 ( 1.834 -4.858 -0.011) 5.193 3.298 ( 8.929 8.617 -0.686) 12.428 3.725 ( 3.746 2.043 0.081) 4.267 4.230 ( -3.429 -4.237 -0.599) 5.484 5.159 ( -0.542 -1.323 0.447) 1.498 5.271 ( 0.548 1.240 -0.346) 1.399 5.319 ( -0.112 0.607 0.543) 0.823 5.386 ( -0.546 1.097 -0.242) 1.249 5.872 ( -0.452 0.100 -0.239) 0.521 5.909 ( 0.214 -0.488 0.041) 0.535 7.425 ( -1.289 1.115 -0.116) 1.708 7.523 ( 1.636 -1.931 0.144) 2.534 7.608 ( -1.632 0.614 -0.245) 1.760 7.635 ( -0.311 -0.414 -0.310) 0.604 7.685 ( 0.698 0.019 -0.466) 0.839 7.697 ( -0.112 0.113 -0.657) 0.676 ======================= Grid point 434 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -5.339 6.807 2.208) 8.928 1.138 ( -3.494 12.236 1.566) 12.821 1.810 ( 1.551 -4.088 1.050) 4.496 1.872 ( -3.731 2.398 0.386) 4.452 2.262 ( -4.695 -1.162 0.344) 4.849 2.406 ( -3.895 8.919 -0.045) 9.733 2.670 ( -4.720 0.587 -0.234) 4.762 2.884 ( 2.099 -0.888 0.041) 2.280 3.100 ( 9.080 -14.943 0.903) 17.509 3.346 ( 2.502 1.446 -0.750) 2.986 3.801 ( 7.656 2.439 0.193) 8.038 4.198 ( -4.189 -3.298 -0.683) 5.375 5.169 ( -0.308 -1.417 0.599) 1.569 5.267 ( 0.717 1.330 -0.357) 1.552 5.306 ( -1.018 0.664 0.502) 1.315 5.355 ( -1.214 1.946 -0.298) 2.313 5.864 ( -0.142 0.212 -0.444) 0.512 5.916 ( 0.134 -0.563 -0.091) 0.586 7.383 ( -1.789 1.821 -0.112) 2.555 7.568 ( -1.148 0.302 -0.366) 1.242 7.575 ( -0.086 -0.858 0.111) 0.870 7.632 ( 0.338 -1.487 -0.276) 1.549 7.691 ( 0.091 -0.316 -0.927) 0.984 7.701 ( 0.980 -0.428 -0.335) 1.121 ======================= Grid point 435 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.839 3.983 2.221) 4.917 0.943 ( -6.756 13.838 2.135) 15.547 1.494 ( -16.967 14.533 1.051) 22.365 2.078 ( 7.357 -6.676 0.587) 9.952 2.243 ( 0.230 0.441 0.806) 0.947 2.300 ( -1.402 3.469 -0.120) 3.743 2.623 ( -0.663 -1.961 -0.104) 2.072 2.927 ( 1.766 -1.689 0.375) 2.472 3.295 ( 2.694 1.233 -0.234) 2.972 3.381 ( 1.358 -8.799 0.092) 8.904 3.905 ( 5.853 -0.900 0.347) 5.932 4.165 ( -2.469 -2.555 -0.589) 3.601 5.178 ( -0.359 -1.098 0.561) 1.285 5.263 ( -0.047 1.451 0.119) 1.457 5.281 ( -1.147 0.682 0.034) 1.336 5.317 ( -0.508 2.414 -0.381) 2.496 5.859 ( 0.163 0.468 -0.514) 0.714 5.923 ( 0.067 -0.625 -0.154) 0.647 7.338 ( -1.563 1.922 -0.048) 2.477 7.529 ( -1.979 0.871 0.033) 2.162 7.549 ( -2.164 1.053 -0.765) 2.526 7.690 ( 2.263 -3.490 0.358) 4.175 7.694 ( 0.429 -0.447 -0.958) 1.140 7.722 ( 1.032 -0.964 -0.210) 1.427 ======================= Grid point 436 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -5.275 14.415 1.734) 15.448 0.815 ( 0.659 -0.104 1.578) 1.713 1.072 ( -14.080 22.738 0.945) 26.761 2.180 ( 1.726 -1.346 -0.114) 2.191 2.238 ( -0.485 0.823 0.477) 1.068 2.284 ( -0.396 -0.186 0.378) 0.578 2.719 ( 6.179 -8.233 0.134) 10.295 2.974 ( 0.859 -3.399 0.527) 3.545 3.259 ( -2.150 2.529 -0.640) 3.380 3.436 ( -0.541 2.071 0.095) 2.143 4.015 ( 3.169 -7.059 0.391) 7.747 4.164 ( -0.140 -1.745 -0.320) 1.779 5.181 ( -0.515 -0.550 0.416) 0.860 5.233 ( -1.345 1.130 0.037) 1.757 5.268 ( 0.084 1.599 0.104) 1.604 5.294 ( 0.283 1.785 -0.429) 1.857 5.855 ( 0.237 0.584 -0.363) 0.727 5.928 ( 0.024 -0.519 -0.119) 0.533 7.299 ( -1.013 1.735 -0.005) 2.010 7.493 ( -1.375 0.989 -0.166) 1.702 7.504 ( -1.472 1.068 -0.261) 1.837 7.698 ( 0.308 -0.196 -0.656) 0.751 7.730 ( 0.121 -1.175 0.329) 1.226 7.770 ( 1.895 -3.217 -0.055) 3.734 ======================= Grid point 437 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 12.022 0.000) 12.022 0.698 ( -0.000 26.812 0.000) 26.812 0.840 ( 0.000 -1.614 0.000) 1.614 2.187 ( -0.000 1.157 0.000) 1.157 2.227 ( 0.000 0.764 0.000) 0.764 2.287 ( 0.000 -0.895 0.000) 0.895 2.894 ( -0.000 -12.830 0.000) 12.830 3.018 ( 0.000 -4.487 0.000) 4.487 3.204 ( -0.000 3.645 0.000) 3.645 3.361 ( -0.000 9.090 0.000) 9.090 4.114 ( -0.000 -6.977 0.000) 6.977 4.178 ( 0.000 -1.351 0.000) 1.351 5.179 ( -0.000 -0.109 -0.000) 0.109 5.214 ( 0.000 0.822 0.000) 0.822 5.253 ( 0.000 1.340 0.000) 1.340 5.283 ( 0.000 1.296 0.000) 1.296 5.851 ( -0.000 0.509 0.000) 0.509 5.932 ( -0.000 -0.349 0.000) 0.349 7.277 ( 0.000 1.279 0.000) 1.279 7.472 ( 0.000 0.845 0.000) 0.845 7.484 ( 0.000 0.688 0.000) 0.688 7.700 ( 0.000 -0.012 0.000) 0.012 7.739 ( 0.000 -0.698 0.000) 0.698 7.813 ( 0.000 -2.586 0.000) 2.586 ======================= Grid point 441 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 8.898 -0.000 -1.630) 9.046 1.210 ( 14.484 -0.000 -1.869) 14.604 1.709 ( 13.364 -0.000 -0.957) 13.398 1.868 ( -9.466 0.000 -0.198) 9.469 2.213 ( -2.557 0.000 -1.067) 2.770 2.398 ( 10.300 -0.000 -0.496) 10.312 2.681 ( 2.231 -0.000 -1.050) 2.466 2.893 ( -1.062 0.000 -0.130) 1.070 3.127 ( -19.708 0.000 -0.095) 19.708 3.350 ( 3.662 -0.000 0.561) 3.705 3.927 ( -2.364 0.000 -0.689) 2.463 4.107 ( -1.664 0.000 -0.329) 1.697 5.166 ( -1.524 0.000 0.049) 1.525 5.286 ( 1.254 -0.000 -0.496) 1.349 5.287 ( 1.253 -0.000 1.179) 1.721 5.368 ( 2.676 -0.000 -0.288) 2.691 5.868 ( 0.781 -0.000 0.616) 0.995 5.914 ( -1.163 0.000 0.106) 1.168 7.363 ( 2.238 -0.000 0.042) 2.239 7.583 ( -1.937 0.000 0.082) 1.939 7.591 ( 1.855 -0.000 -0.456) 1.910 7.665 ( -0.170 0.000 0.073) 0.185 7.689 ( -0.181 0.000 0.131) 0.223 7.705 ( -1.271 0.000 -0.344) 1.317 ======================= Grid point 442 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 10.091 -0.538 -0.598) 10.123 1.346 ( 5.000 3.588 -0.301) 6.161 1.722 ( -0.494 10.198 -0.120) 10.210 1.935 ( 7.475 -8.513 -0.045) 11.329 2.185 ( -1.710 -7.354 -0.907) 7.605 2.563 ( 9.413 2.336 -0.250) 9.702 2.717 ( -2.257 -2.805 -0.552) 3.643 2.791 ( -17.812 -0.696 -0.628) 17.837 2.873 ( -1.509 0.723 -0.087) 1.675 3.427 ( 7.772 3.776 -0.060) 8.641 3.836 ( -3.262 6.770 -0.550) 7.535 4.110 ( -2.426 -6.529 -0.626) 6.994 5.145 ( -1.344 -0.480 0.236) 1.447 5.295 ( 0.879 0.963 -0.229) 1.324 5.314 ( 0.860 -0.387 0.771) 1.218 5.399 ( 1.575 0.357 -0.302) 1.643 5.882 ( 0.500 0.133 0.358) 0.629 5.896 ( -1.060 -0.309 0.019) 1.104 7.402 ( 2.235 -0.540 0.080) 2.300 7.533 ( -3.187 0.247 -0.124) 3.198 7.611 ( 0.790 -0.188 -0.377) 0.895 7.661 ( -0.963 0.415 -0.596) 1.206 7.687 ( 0.157 0.274 -0.403) 0.512 7.696 ( 0.440 -0.153 -0.151) 0.489 ======================= Grid point 443 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 2.722 4.408 0.735) 5.233 1.348 ( -0.498 -0.713 1.568) 1.793 1.672 ( 9.333 14.417 -0.634) 17.186 2.015 ( -1.692 -1.205 0.163) 2.084 2.360 ( -0.953 -9.620 -0.667) 9.690 2.431 ( -11.244 -11.939 0.692) 16.415 2.651 ( 2.950 3.672 -0.204) 4.714 2.801 ( 1.478 -2.203 -0.563) 2.712 2.818 ( -2.923 1.465 -0.506) 3.309 3.491 ( 6.625 10.708 -0.704) 12.611 3.763 ( 1.586 1.782 -0.047) 2.386 4.120 ( -3.863 -6.975 -0.857) 8.019 5.136 ( -0.780 -1.008 0.442) 1.349 5.295 ( 0.612 1.173 -0.387) 1.378 5.326 ( -0.019 0.087 0.690) 0.695 5.407 ( 0.398 1.082 -0.178) 1.167 5.874 ( -0.574 0.162 -0.189) 0.626 5.898 ( 0.135 -0.566 0.154) 0.602 7.436 ( 0.816 0.124 0.004) 0.826 7.495 ( -0.847 -0.879 -0.010) 1.221 7.615 ( -0.391 -0.002 -0.536) 0.663 7.633 ( -1.190 0.317 -0.447) 1.310 7.687 ( 0.301 0.087 -0.681) 0.750 7.700 ( 0.044 0.103 -0.755) 0.763 ======================= Grid point 444 (215/227) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -4.778 8.348 2.167) 9.860 1.347 ( -0.070 6.974 1.680) 7.174 1.753 ( 10.019 2.836 0.019) 10.413 1.922 ( -9.722 2.163 0.235) 9.962 2.202 ( -6.054 -4.919 0.186) 7.803 2.580 ( -1.108 8.152 -0.732) 8.260 2.695 ( -3.802 -0.354 -0.336) 3.834 2.774 ( 9.013 -15.895 0.829) 18.292 2.861 ( 1.720 -2.132 -0.276) 2.753 3.435 ( -0.743 7.470 -0.689) 7.538 3.840 ( 6.769 0.787 0.034) 6.815 4.109 ( -3.962 -5.676 -0.851) 6.974 5.142 ( -0.174 -1.302 0.583) 1.437 5.292 ( 0.778 1.254 -0.415) 1.533 5.318 ( -1.030 0.457 0.530) 1.245 5.392 ( -0.314 1.992 -0.045) 2.017 5.867 ( 0.020 0.156 -0.367) 0.400 5.904 ( -0.101 -0.680 -0.018) 0.688 7.415 ( -1.277 1.725 -0.114) 2.149 7.530 ( 1.855 -2.764 0.121) 3.331 7.587 ( -1.622 1.012 -0.322) 1.938 7.620 ( -0.747 -0.258 -0.756) 1.094 7.685 ( -0.218 -0.223 -0.766) 0.827 7.695 ( 0.285 -0.239 -0.863) 0.939 ======================= Grid point 445 (216/227) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.598 7.648 2.314) 8.763 1.205 ( -6.490 12.720 1.773) 14.390 1.718 ( -6.017 10.205 0.205) 11.849 1.927 ( 4.983 -8.950 0.411) 10.252 2.223 ( 2.022 -1.899 0.473) 2.814 2.421 ( -5.123 9.199 -0.485) 10.540 2.634 ( -0.625 2.645 -0.216) 2.727 2.896 ( 0.653 -1.762 0.132) 1.883 3.110 ( 9.784 -17.018 0.691) 19.642 3.356 ( -2.210 3.096 -0.504) 3.837 3.901 ( -0.150 -1.460 -0.282) 1.494 4.109 ( 0.158 -2.412 -0.436) 2.456 5.157 ( 0.191 -1.122 0.553) 1.265 5.285 ( -1.289 0.884 0.398) 1.613 5.300 ( 0.719 1.252 -0.339) 1.483 5.364 ( -0.481 2.593 -0.012) 2.637 5.866 ( 0.340 0.369 -0.423) 0.656 5.909 ( -0.068 -0.820 -0.117) 0.831 7.376 ( -1.217 2.205 -0.069) 2.519 7.550 ( -1.524 1.295 -0.086) 2.002 7.563 ( -0.789 0.087 -0.646) 1.023 7.624 ( 1.164 -3.070 -0.064) 3.284 7.683 ( 0.128 -0.710 -1.140) 1.349 7.704 ( 0.385 -0.912 -0.245) 1.020 ======================= Grid point 446 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -1.003 4.186 1.502) 4.559 0.978 ( -6.434 13.219 1.307) 14.760 1.491 ( -4.470 21.808 0.230) 22.263 2.082 ( 2.733 -10.175 0.289) 10.540 2.250 ( -0.370 0.949 0.287) 1.058 2.302 ( -2.119 3.137 -0.056) 3.785 2.645 ( 3.937 0.362 -0.077) 3.954 2.916 ( -0.718 -2.813 0.307) 2.919 3.276 ( -2.824 -2.366 -0.529) 3.722 3.395 ( 7.077 -5.249 0.614) 8.833 3.891 ( -3.457 -6.452 -0.325) 7.327 4.139 ( 1.544 -0.327 -0.116) 1.582 5.171 ( 0.194 -0.577 0.377) 0.716 5.252 ( -1.517 0.928 0.158) 1.786 5.303 ( 1.190 1.905 -0.044) 2.246 5.332 ( -0.497 2.407 -0.148) 2.463 5.866 ( 0.266 0.517 -0.296) 0.652 5.916 ( 0.057 -0.761 -0.108) 0.770 7.338 ( -0.825 2.377 -0.019) 2.516 7.516 ( -0.985 1.487 0.095) 1.787 7.528 ( -1.323 1.442 -0.653) 2.063 7.684 ( 1.115 -4.041 0.275) 4.202 7.689 ( 0.262 -0.775 -0.789) 1.137 7.721 ( 0.416 -1.632 -0.113) 1.688 ======================= Grid point 447 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.000 12.636 0.000) 12.636 0.828 ( -0.000 1.873 0.000) 1.873 1.211 ( 0.000 27.690 0.000) 27.690 2.192 ( 0.000 -6.527 0.000) 6.527 2.218 ( 0.000 2.221 0.000) 2.221 2.274 ( 0.000 0.236 0.000) 0.236 2.713 ( 0.000 -5.213 0.000) 5.213 2.939 ( 0.000 -3.975 0.000) 3.975 3.252 ( 0.000 1.009 0.000) 1.009 3.466 ( -0.000 1.703 0.000) 1.703 3.947 ( -0.000 -10.420 0.000) 10.420 4.155 ( 0.000 -0.668 0.000) 0.668 5.176 ( -0.000 -0.171 0.000) 0.171 5.230 ( 0.000 0.935 0.000) 0.935 5.291 ( 0.000 2.727 0.000) 2.727 5.310 ( 0.000 1.475 0.000) 1.475 5.862 ( -0.000 0.593 0.000) 0.593 5.923 ( -0.000 -0.632 0.000) 0.632 7.309 ( 0.000 2.199 0.000) 2.199 7.494 ( 0.000 1.539 0.000) 1.539 7.502 ( 0.000 1.259 0.000) 1.259 7.696 ( 0.000 -0.506 0.000) 0.506 7.718 ( 0.000 -1.847 0.000) 1.847 7.752 ( 0.000 -3.620 0.000) 3.620 ======================= Grid point 453 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 8.137 -0.000 0.233) 8.140 1.340 ( -4.955 0.000 2.011) 5.347 1.933 ( 13.116 -0.000 -0.867) 13.144 1.991 ( 4.911 -0.000 0.256) 4.918 2.100 ( 0.629 -0.000 -0.319) 0.705 2.378 ( -23.768 0.000 0.138) 23.768 2.703 ( 5.699 -0.000 0.206) 5.703 2.758 ( 1.988 -0.000 -1.605) 2.555 2.838 ( -3.531 0.000 -0.152) 3.535 3.612 ( 11.634 -0.000 -0.387) 11.640 3.783 ( -6.850 0.000 -0.608) 6.877 4.033 ( -2.160 0.000 -0.822) 2.311 5.126 ( -0.814 0.000 0.427) 0.919 5.308 ( 0.515 -0.000 -0.533) 0.741 5.324 ( 0.079 -0.000 0.814) 0.818 5.418 ( 0.706 -0.000 -0.098) 0.713 5.876 ( -0.767 0.000 -0.198) 0.792 5.892 ( 0.259 -0.000 0.227) 0.344 7.435 ( 2.120 -0.000 0.085) 2.121 7.489 ( -2.278 0.000 -0.121) 2.281 7.614 ( 0.085 -0.000 -0.615) 0.621 7.638 ( -1.574 0.000 -0.523) 1.658 7.687 ( 0.121 -0.000 -0.762) 0.772 7.701 ( 0.156 -0.000 -0.784) 0.800 ======================= Grid point 454 (220/227) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -2.846 7.570 2.177) 8.375 1.341 ( 1.459 -5.074 1.677) 5.540 1.937 ( -5.164 10.571 0.285) 11.768 1.972 ( -4.287 3.999 0.005) 5.863 2.127 ( 1.337 0.445 -0.370) 1.457 2.375 ( 12.265 -19.604 -0.122) 23.125 2.727 ( 0.725 5.633 -0.643) 5.716 2.756 ( -4.523 1.446 0.036) 4.749 2.811 ( 1.899 -3.509 -0.621) 4.038 3.596 ( -5.909 8.836 -0.615) 10.648 3.794 ( 2.861 -5.683 -0.670) 6.398 4.032 ( 1.426 -1.898 -0.475) 2.421 5.125 ( -0.009 -0.527 0.548) 0.760 5.310 ( 0.610 0.674 -0.514) 1.045 5.321 ( -0.886 -0.057 0.508) 1.023 5.421 ( 0.064 0.880 0.158) 0.896 5.870 ( 0.113 0.071 -0.345) 0.370 5.894 ( -0.213 -0.325 0.043) 0.391 7.447 ( -0.527 1.722 -0.064) 1.802 7.483 ( 1.116 -2.231 0.063) 2.495 7.604 ( -0.960 0.715 -0.648) 1.361 7.614 ( -0.788 -0.376 -0.676) 1.104 7.684 ( -0.182 0.027 -0.672) 0.697 7.692 ( -0.489 -0.130 -1.176) 1.280 ======================= Grid point 455 (221/227) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -3.660 9.269 2.370) 10.243 1.348 ( -6.073 2.103 1.774) 6.667 1.756 ( -7.285 -6.671 -0.025) 9.878 1.923 ( 3.399 9.357 0.258) 9.958 2.218 ( 8.419 3.289 -0.028) 9.039 2.589 ( -6.992 6.921 -0.582) 9.855 2.688 ( 3.882 0.592 -0.705) 3.990 2.785 ( 9.423 -14.697 0.569) 17.467 2.859 ( 0.795 -2.446 -0.051) 2.572 3.424 ( -6.708 4.110 -0.303) 7.873 3.821 ( -5.063 -6.165 -1.056) 8.047 4.099 ( 5.141 0.646 0.045) 5.181 5.139 ( 0.668 -0.753 0.516) 1.132 5.297 ( -1.709 0.404 0.502) 1.827 5.319 ( 1.223 0.759 -0.591) 1.556 5.407 ( -0.323 1.841 0.247) 1.885 5.873 ( 0.534 0.302 -0.376) 0.719 5.894 ( -0.197 -0.703 -0.087) 0.735 7.417 ( -0.712 2.199 -0.053) 2.312 7.531 ( 1.425 -2.889 0.071) 3.222 7.574 ( -1.143 1.222 -0.254) 1.692 7.601 ( -0.852 -0.081 -0.971) 1.294 7.672 ( -0.474 -0.381 -1.136) 1.289 7.689 ( -0.074 -0.760 -0.389) 0.857 ======================= Grid point 456 (222/227) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -2.074 8.613 1.504) 8.985 1.172 ( -7.819 7.717 1.070) 11.038 1.806 ( 2.714 -2.460 -0.095) 3.664 1.883 ( 0.208 3.945 0.423) 3.973 2.288 ( 3.828 4.013 0.153) 5.549 2.407 ( -5.468 7.622 -0.397) 9.389 2.696 ( 3.593 4.170 -0.265) 5.511 2.873 ( -1.378 -1.986 0.243) 2.429 3.099 ( 6.933 -14.780 0.048) 16.325 3.337 ( -1.424 -2.117 0.216) 2.561 3.771 ( -6.701 -6.222 -0.839) 9.182 4.155 ( 2.924 1.586 0.085) 3.327 5.160 ( 0.794 -0.560 0.320) 1.023 5.266 ( -1.640 0.550 0.272) 1.752 5.331 ( 1.365 1.068 -0.317) 1.762 5.380 ( -0.558 2.558 0.154) 2.623 5.874 ( 0.184 0.346 -0.231) 0.455 5.902 ( 0.214 -0.743 -0.119) 0.783 7.384 ( -0.526 2.621 -0.017) 2.673 7.545 ( -0.720 1.442 0.151) 1.619 7.552 ( -0.568 0.915 -0.695) 1.281 7.607 ( 0.601 -3.708 -0.074) 3.758 7.671 ( 0.012 -1.119 -0.871) 1.418 7.696 ( -0.024 -1.148 -0.018) 1.149 ======================= Grid point 457 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 6.180 0.000) 6.180 1.026 ( -0.000 9.999 0.000) 9.999 1.687 ( 0.000 23.356 0.000) 23.356 1.982 ( 0.000 -14.947 0.000) 14.947 2.273 ( -0.000 4.145 0.000) 4.145 2.311 ( 0.000 3.860 0.000) 3.860 2.704 ( -0.000 2.894 0.000) 2.894 2.876 ( 0.000 -2.853 0.000) 2.853 3.218 ( 0.000 -5.404 0.000) 5.404 3.416 ( 0.000 -6.740 0.000) 6.740 3.766 ( -0.000 -8.228 0.000) 8.228 4.164 ( -0.000 1.453 0.000) 1.453 5.172 ( -0.000 -0.285 0.000) 0.285 5.246 ( 0.000 0.688 0.000) 0.688 5.334 ( -0.000 1.107 0.000) 1.107 5.347 ( 0.000 3.105 0.000) 3.105 5.871 ( -0.000 0.381 0.000) 0.381 5.910 ( -0.000 -0.700 0.000) 0.700 7.355 ( 0.000 2.680 0.000) 2.680 7.526 ( 0.000 1.887 0.000) 1.887 7.528 ( -0.000 1.453 0.000) 1.453 7.654 ( 0.000 -4.534 0.000) 4.534 7.680 ( 0.000 -1.132 0.000) 1.132 7.708 ( -0.000 -1.479 0.000) 1.479 ======================= Grid point 465 (224/227) ======================= q-point: (-0.60 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -4.486 0.000 3.278) 5.556 1.325 ( -0.123 0.000 0.637) 0.648 1.688 ( -15.404 0.000 0.127) 15.404 2.011 ( 2.479 -0.000 0.495) 2.528 2.385 ( 9.391 -0.000 0.335) 9.397 2.441 ( 16.196 -0.000 -0.885) 16.220 2.670 ( -5.535 0.000 -0.316) 5.544 2.786 ( 0.830 -0.000 -1.368) 1.600 2.807 ( 1.781 -0.000 0.652) 1.896 3.477 ( -11.904 0.000 -0.134) 11.904 3.744 ( -3.420 0.000 -1.385) 3.690 4.108 ( 6.055 -0.000 0.149) 6.056 5.132 ( 0.847 -0.000 0.497) 0.982 5.300 ( -1.801 0.000 0.514) 1.873 5.326 ( 1.290 -0.000 -0.669) 1.453 5.425 ( -0.247 0.000 0.330) 0.413 5.876 ( 0.848 -0.000 -0.383) 0.930 5.886 ( -0.478 0.000 -0.052) 0.481 7.447 ( -0.525 0.000 -0.032) 0.526 7.493 ( 1.397 -0.000 0.079) 1.399 7.589 ( -1.157 0.000 -0.175) 1.170 7.599 ( -0.375 0.000 -1.191) 1.248 7.670 ( -1.051 0.000 -1.283) 1.659 7.680 ( -0.125 0.000 -0.308) 0.333 ======================= Grid point 467 (225/227) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -3.446 6.187 1.910) 7.335 1.281 ( -4.415 5.177 0.534) 6.825 1.577 ( -4.015 -11.369 0.076) 12.057 2.049 ( 3.711 4.386 0.478) 5.765 2.426 ( 5.257 9.281 -0.107) 10.667 2.546 ( -3.273 7.618 -0.341) 8.298 2.777 ( 4.470 3.816 -0.844) 5.938 2.788 ( 6.792 -13.844 0.259) 15.422 2.854 ( 2.869 -3.793 0.045) 4.756 3.289 ( -10.921 -2.432 0.184) 11.190 3.687 ( -4.265 -2.449 -0.932) 5.005 4.180 ( 3.162 0.821 0.136) 3.270 5.153 ( 1.134 -0.251 0.287) 1.197 5.272 ( -1.756 0.145 0.306) 1.788 5.344 ( 1.269 0.360 -0.412) 1.382 5.416 ( -0.410 1.087 0.252) 1.189 5.878 ( -0.198 0.153 -0.108) 0.273 5.891 ( 0.651 -0.343 -0.214) 0.767 7.430 ( -0.224 2.075 -0.004) 2.087 7.525 ( 0.903 -2.414 0.119) 2.580 7.570 ( -0.512 0.771 -0.026) 0.926 7.584 ( -0.710 0.364 -0.886) 1.192 7.653 ( -0.590 -0.694 -0.837) 1.237 7.680 ( -0.052 -0.497 -0.069) 0.505 ======================= Grid point 468 (226/227) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 8.379 0.000) 8.379 1.173 ( -0.000 7.027 0.000) 7.027 1.689 ( -0.000 -16.004 0.000) 16.004 2.018 ( 0.000 10.954 0.000) 10.954 2.404 ( -0.000 5.348 0.000) 5.348 2.409 ( 0.000 11.956 0.000) 11.956 2.783 ( -0.000 5.114 0.000) 5.114 2.832 ( 0.000 -2.219 -0.000) 2.219 3.047 ( 0.000 -12.302 0.000) 12.302 3.251 ( -0.000 -9.889 0.000) 9.889 3.665 ( -0.000 -2.925 0.000) 2.925 4.194 ( -0.000 1.501 0.000) 1.501 5.167 ( -0.000 -0.273 0.000) 0.273 5.254 ( 0.000 0.252 0.000) 0.252 5.350 ( -0.000 0.610 0.000) 0.610 5.397 ( 0.000 2.116 0.000) 2.116 5.875 ( 0.000 0.084 0.000) 0.084 5.899 ( -0.000 -0.388 0.000) 0.388 7.406 ( 0.000 2.723 0.000) 2.723 7.548 ( 0.000 -0.050 0.000) 0.050 7.560 ( 0.000 1.693 0.000) 1.693 7.577 ( 0.000 -2.885 0.000) 2.885 7.656 ( 0.000 -1.331 0.000) 1.331 7.686 ( -0.000 -0.894 0.000) 0.894 ======================= Grid point 479 (227/227) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 0.000 0.000) 0.000 1.303 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.751 ( -0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 -0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 4.209 ( -0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.256 ( -0.000 0.000 0.000) 0.000 5.356 ( -0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.896 ( -0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.520 ( -0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.677 ( -0.000 0.000 0.000) 0.000 =================== 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 3/19200 10.0 79.896 73.007 11.192 0.000 4.782 -0.000 3/19200 20.0 60.919 58.450 5.529 0.000 2.355 -0.000 3/19200 30.0 45.347 44.035 3.497 0.000 1.358 -0.000 3/19200 40.0 35.753 34.862 2.536 0.000 0.912 -0.000 3/19200 50.0 29.186 28.507 1.987 0.000 0.675 -0.000 3/19200 60.0 24.453 23.906 1.634 0.000 0.533 -0.000 3/19200 70.0 20.942 20.484 1.388 0.000 0.440 -0.000 3/19200 80.0 18.269 17.875 1.208 0.000 0.374 -0.000 3/19200 90.0 16.182 15.838 1.069 0.000 0.326 -0.000 3/19200 100.0 14.517 14.210 0.960 0.000 0.288 -0.000 3/19200 110.0 13.160 12.884 0.871 0.000 0.259 -0.000 3/19200 120.0 12.035 11.784 0.798 0.000 0.235 -0.000 3/19200 130.0 11.088 10.858 0.736 0.000 0.215 -0.000 3/19200 140.0 10.280 10.067 0.683 0.000 0.199 -0.000 3/19200 150.0 9.583 9.384 0.637 0.000 0.185 -0.000 3/19200 160.0 8.975 8.789 0.598 0.000 0.172 -0.000 3/19200 170.0 8.440 8.265 0.562 0.000 0.162 -0.000 3/19200 180.0 7.965 7.801 0.531 0.000 0.152 -0.000 3/19200 190.0 7.542 7.387 0.503 0.000 0.144 -0.000 3/19200 200.0 7.162 7.014 0.478 0.000 0.136 -0.000 3/19200 210.0 6.818 6.678 0.456 0.000 0.130 -0.000 3/19200 220.0 6.506 6.373 0.435 0.000 0.123 -0.000 3/19200 230.0 6.222 6.094 0.416 0.000 0.118 -0.000 3/19200 240.0 5.962 5.839 0.399 0.000 0.113 -0.000 3/19200 250.0 5.722 5.605 0.383 0.000 0.108 -0.000 3/19200 260.0 5.502 5.389 0.368 0.000 0.104 -0.000 3/19200 270.0 5.298 5.189 0.355 0.000 0.100 -0.000 3/19200 280.0 5.108 5.003 0.342 0.000 0.096 -0.000 3/19200 290.0 4.932 4.830 0.330 0.000 0.093 -0.000 3/19200 300.0 4.767 4.669 0.319 0.000 0.090 -0.000 3/19200 310.0 4.613 4.519 0.309 0.000 0.087 -0.000 3/19200 320.0 4.469 4.377 0.299 0.000 0.084 -0.000 3/19200 330.0 4.334 4.245 0.290 0.000 0.081 -0.000 3/19200 340.0 4.206 4.120 0.282 0.000 0.079 -0.000 3/19200 350.0 4.086 4.002 0.274 0.000 0.077 -0.000 3/19200 360.0 3.973 3.891 0.266 0.000 0.075 -0.000 3/19200 370.0 3.865 3.786 0.259 0.000 0.073 -0.000 3/19200 380.0 3.764 3.687 0.252 0.000 0.071 -0.000 3/19200 390.0 3.667 3.592 0.246 0.000 0.069 -0.000 3/19200 400.0 3.576 3.502 0.240 0.000 0.067 -0.000 3/19200 410.0 3.489 3.417 0.234 0.000 0.065 -0.000 3/19200 420.0 3.406 3.336 0.228 0.000 0.064 -0.000 3/19200 430.0 3.327 3.259 0.223 0.000 0.062 -0.000 3/19200 440.0 3.251 3.185 0.218 0.000 0.061 -0.000 3/19200 450.0 3.179 3.114 0.213 0.000 0.060 -0.000 3/19200 460.0 3.110 3.046 0.209 0.000 0.058 -0.000 3/19200 470.0 3.044 2.982 0.204 0.000 0.057 -0.000 3/19200 480.0 2.981 2.920 0.200 0.000 0.056 -0.000 3/19200 490.0 2.920 2.860 0.196 0.000 0.055 -0.000 3/19200 500.0 2.862 2.803 0.192 0.000 0.054 -0.000 3/19200 510.0 2.806 2.748 0.188 0.000 0.052 -0.000 3/19200 520.0 2.752 2.696 0.185 0.000 0.051 -0.000 3/19200 530.0 2.700 2.645 0.181 0.000 0.050 -0.000 3/19200 540.0 2.650 2.596 0.178 0.000 0.050 -0.000 3/19200 550.0 2.602 2.549 0.175 0.000 0.049 -0.000 3/19200 560.0 2.556 2.503 0.171 0.000 0.048 -0.000 3/19200 570.0 2.511 2.460 0.168 0.000 0.047 -0.000 3/19200 580.0 2.468 2.417 0.166 0.000 0.046 -0.000 3/19200 590.0 2.426 2.376 0.163 0.000 0.045 -0.000 3/19200 600.0 2.386 2.337 0.160 0.000 0.045 -0.000 3/19200 610.0 2.347 2.299 0.157 0.000 0.044 -0.000 3/19200 620.0 2.309 2.262 0.155 0.000 0.043 -0.000 3/19200 630.0 2.273 2.226 0.152 0.000 0.042 -0.000 3/19200 640.0 2.237 2.191 0.150 0.000 0.042 -0.000 3/19200 650.0 2.203 2.158 0.148 0.000 0.041 -0.000 3/19200 660.0 2.170 2.125 0.146 0.000 0.040 -0.000 3/19200 670.0 2.137 2.093 0.143 0.000 0.040 -0.000 3/19200 680.0 2.106 2.063 0.141 0.000 0.039 -0.000 3/19200 690.0 2.076 2.033 0.139 0.000 0.039 -0.000 3/19200 700.0 2.046 2.004 0.137 0.000 0.038 -0.000 3/19200 710.0 2.017 1.976 0.135 0.000 0.038 -0.000 3/19200 720.0 1.989 1.948 0.133 0.000 0.037 -0.000 3/19200 730.0 1.962 1.922 0.132 0.000 0.037 -0.000 3/19200 740.0 1.936 1.896 0.130 0.000 0.036 -0.000 3/19200 750.0 1.910 1.871 0.128 0.000 0.036 -0.000 3/19200 760.0 1.885 1.846 0.126 0.000 0.035 -0.000 3/19200 770.0 1.860 1.822 0.125 0.000 0.035 -0.000 3/19200 780.0 1.837 1.799 0.123 0.000 0.034 -0.000 3/19200 790.0 1.813 1.776 0.122 0.000 0.034 -0.000 3/19200 800.0 1.791 1.754 0.120 0.000 0.033 -0.000 3/19200 810.0 1.769 1.732 0.119 0.000 0.033 -0.000 3/19200 820.0 1.747 1.711 0.117 0.000 0.033 -0.000 3/19200 830.0 1.726 1.691 0.116 0.000 0.032 -0.000 3/19200 840.0 1.706 1.671 0.114 0.000 0.032 -0.000 3/19200 850.0 1.686 1.651 0.113 0.000 0.031 -0.000 3/19200 860.0 1.666 1.632 0.112 0.000 0.031 -0.000 3/19200 870.0 1.647 1.613 0.110 0.000 0.031 -0.000 3/19200 880.0 1.628 1.595 0.109 0.000 0.030 -0.000 3/19200 890.0 1.610 1.577 0.108 0.000 0.030 -0.000 3/19200 900.0 1.592 1.559 0.107 0.000 0.030 -0.000 3/19200 910.0 1.575 1.542 0.106 0.000 0.029 -0.000 3/19200 920.0 1.558 1.526 0.105 0.000 0.029 -0.000 3/19200 930.0 1.541 1.509 0.103 0.000 0.029 -0.000 3/19200 940.0 1.525 1.493 0.102 0.000 0.028 -0.000 3/19200 950.0 1.509 1.478 0.101 0.000 0.028 -0.000 3/19200 960.0 1.493 1.462 0.100 0.000 0.028 -0.000 3/19200 970.0 1.478 1.447 0.099 0.000 0.028 -0.000 3/19200 980.0 1.463 1.432 0.098 0.000 0.027 -0.000 3/19200 990.0 1.448 1.418 0.097 0.000 0.027 -0.000 3/19200 1000.0 1.433 1.404 0.096 0.000 0.027 -0.000 3/19200 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:38:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|