----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.486518370522234 0.000000000000000 0.000000000000000 b 0.000000000000000 10.216959090000000 0.000000000000000 c -0.789056065804434 0.000000000000000 6.650191473666045 Atomic positions (fractional): *1 B 0.38897681054520 0.75000000000000 0.26119655343311 10.811 2 B 0.61102318945480 0.25000000000000 0.73880344656689 10.811 *3 Se 0.75639886005018 0.41663921557948 0.83658109431572 78.960 4 Se 0.24360113994981 0.91663921557948 0.16341890568428 78.960 5 Se 0.24360113994981 0.58336078442052 0.16341890568428 78.960 6 Se 0.75639886005018 0.08336078442052 0.83658109431572 78.960 *7 Se 0.31950425456639 0.25000000000000 0.53911377449348 78.960 8 Se 0.68049574543361 0.75000000000000 0.46088622550652 78.960 *9 Tl 0.26733668360705 0.94729840165081 0.66327686106632 204.383 10 Tl 0.73266331639295 0.44729840165081 0.33672313893368 204.383 11 Tl 0.73266331639295 0.05270159834919 0.33672313893368 204.383 12 Tl 0.26733668360705 0.55270159834919 0.66327686106632 204.383 *13 Tl 0.80160423163303 0.75000000000000 0.98580930753130 204.383 14 Tl 0.19839576836697 0.25000000000000 0.01419069246870 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.486518370522234 0.000000000000000 0.000000000000000 b 0.000000000000000 10.216959090000000 0.000000000000000 c -0.789056065804434 0.000000000000000 6.650191473666045 Atomic positions (fractional): *1 B 0.38897681054520 0.75000000000000 0.26119655343311 10.811 > 1 2 B 0.61102318945480 0.25000000000000 0.73880344656689 10.811 > 2 *3 Se 0.75639886005018 0.41663921557948 0.83658109431572 78.960 > 3 4 Se 0.24360113994981 0.91663921557948 0.16341890568428 78.960 > 4 5 Se 0.24360113994981 0.58336078442052 0.16341890568428 78.960 > 5 6 Se 0.75639886005018 0.08336078442052 0.83658109431572 78.960 > 6 *7 Se 0.31950425456639 0.25000000000000 0.53911377449348 78.960 > 7 8 Se 0.68049574543361 0.75000000000000 0.46088622550652 78.960 > 8 *9 Tl 0.26733668360705 0.94729840165081 0.66327686106632 204.383 > 9 10 Tl 0.73266331639295 0.44729840165081 0.33672313893368 204.383 > 10 11 Tl 0.73266331639295 0.05270159834919 0.33672313893368 204.383 > 11 12 Tl 0.26733668360705 0.55270159834919 0.66327686106632 204.383 > 12 *13 Tl 0.80160423163303 0.75000000000000 0.98580930753130 204.383 > 13 14 Tl 0.19839576836697 0.25000000000000 0.01419069246870 204.383 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.973036741044467 0.000000000000000 0.000000000000000 b 0.000000000000000 20.433918179999999 0.000000000000000 c -1.578112131608868 0.000000000000000 13.300382947332089 Atomic positions (fractional): *1 B 0.19448840527260 0.37500000000000 0.13059827671656 10.811 > 1 2 B 0.69448840527260 0.37500000000000 0.13059827671656 10.811 > 1 3 B 0.19448840527260 0.87500000000000 0.13059827671656 10.811 > 1 4 B 0.69448840527260 0.87500000000000 0.13059827671656 10.811 > 1 5 B 0.19448840527260 0.37500000000000 0.63059827671656 10.811 > 1 6 B 0.69448840527260 0.37500000000000 0.63059827671656 10.811 > 1 7 B 0.19448840527260 0.87500000000000 0.63059827671656 10.811 > 1 8 B 0.69448840527260 0.87500000000000 0.63059827671656 10.811 > 1 9 B 0.30551159472740 0.12500000000000 0.36940172328344 10.811 > 2 10 B 0.80551159472740 0.12500000000000 0.36940172328344 10.811 > 2 11 B 0.30551159472740 0.62500000000000 0.36940172328344 10.811 > 2 12 B 0.80551159472740 0.62500000000000 0.36940172328344 10.811 > 2 13 B 0.30551159472740 0.12500000000000 0.86940172328344 10.811 > 2 14 B 0.80551159472740 0.12500000000000 0.86940172328344 10.811 > 2 15 B 0.30551159472740 0.62500000000000 0.86940172328344 10.811 > 2 16 B 0.80551159472740 0.62500000000000 0.86940172328344 10.811 > 2 *17 Se 0.37819943002509 0.20831960778974 0.41829054715786 78.960 > 3 18 Se 0.87819943002509 0.20831960778974 0.41829054715786 78.960 > 3 19 Se 0.37819943002509 0.70831960778974 0.41829054715786 78.960 > 3 20 Se 0.87819943002509 0.70831960778974 0.41829054715786 78.960 > 3 21 Se 0.37819943002509 0.20831960778974 0.91829054715786 78.960 > 3 22 Se 0.87819943002509 0.20831960778974 0.91829054715786 78.960 > 3 23 Se 0.37819943002509 0.70831960778974 0.91829054715786 78.960 > 3 24 Se 0.87819943002509 0.70831960778974 0.91829054715786 78.960 > 3 25 Se 0.12180056997491 0.45831960778974 0.08170945284214 78.960 > 4 26 Se 0.62180056997491 0.45831960778974 0.08170945284214 78.960 > 4 27 Se 0.12180056997491 0.95831960778974 0.08170945284214 78.960 > 4 28 Se 0.62180056997491 0.95831960778974 0.08170945284214 78.960 > 4 29 Se 0.12180056997491 0.45831960778974 0.58170945284214 78.960 > 4 30 Se 0.62180056997491 0.45831960778974 0.58170945284214 78.960 > 4 31 Se 0.12180056997491 0.95831960778974 0.58170945284214 78.960 > 4 32 Se 0.62180056997491 0.95831960778974 0.58170945284214 78.960 > 4 33 Se 0.12180056997491 0.29168039221026 0.08170945284214 78.960 > 5 34 Se 0.62180056997491 0.29168039221026 0.08170945284214 78.960 > 5 35 Se 0.12180056997491 0.79168039221026 0.08170945284214 78.960 > 5 36 Se 0.62180056997491 0.79168039221026 0.08170945284214 78.960 > 5 37 Se 0.12180056997491 0.29168039221026 0.58170945284214 78.960 > 5 38 Se 0.62180056997491 0.29168039221026 0.58170945284214 78.960 > 5 39 Se 0.12180056997491 0.79168039221026 0.58170945284214 78.960 > 5 40 Se 0.62180056997491 0.79168039221026 0.58170945284214 78.960 > 5 41 Se 0.37819943002509 0.04168039221026 0.41829054715786 78.960 > 6 42 Se 0.87819943002509 0.04168039221026 0.41829054715786 78.960 > 6 43 Se 0.37819943002509 0.54168039221026 0.41829054715786 78.960 > 6 44 Se 0.87819943002509 0.54168039221026 0.41829054715786 78.960 > 6 45 Se 0.37819943002509 0.04168039221026 0.91829054715786 78.960 > 6 46 Se 0.87819943002509 0.04168039221026 0.91829054715786 78.960 > 6 47 Se 0.37819943002509 0.54168039221026 0.91829054715786 78.960 > 6 48 Se 0.87819943002509 0.54168039221026 0.91829054715786 78.960 > 6 *49 Se 0.15975212728320 0.12500000000000 0.26955688724674 78.960 > 7 50 Se 0.65975212728320 0.12500000000000 0.26955688724674 78.960 > 7 51 Se 0.15975212728320 0.62500000000000 0.26955688724674 78.960 > 7 52 Se 0.65975212728320 0.62500000000000 0.26955688724674 78.960 > 7 53 Se 0.15975212728320 0.12500000000000 0.76955688724674 78.960 > 7 54 Se 0.65975212728320 0.12500000000000 0.76955688724674 78.960 > 7 55 Se 0.15975212728320 0.62500000000000 0.76955688724674 78.960 > 7 56 Se 0.65975212728320 0.62500000000000 0.76955688724674 78.960 > 7 57 Se 0.34024787271680 0.37500000000000 0.23044311275326 78.960 > 8 58 Se 0.84024787271680 0.37500000000000 0.23044311275326 78.960 > 8 59 Se 0.34024787271680 0.87500000000000 0.23044311275326 78.960 > 8 60 Se 0.84024787271680 0.87500000000000 0.23044311275326 78.960 > 8 61 Se 0.34024787271680 0.37500000000000 0.73044311275326 78.960 > 8 62 Se 0.84024787271680 0.37500000000000 0.73044311275326 78.960 > 8 63 Se 0.34024787271680 0.87500000000000 0.73044311275326 78.960 > 8 64 Se 0.84024787271680 0.87500000000000 0.73044311275326 78.960 > 8 *65 Tl 0.13366834180352 0.47364920082540 0.33163843053316 204.383 > 9 66 Tl 0.63366834180352 0.47364920082540 0.33163843053316 204.383 > 9 67 Tl 0.13366834180352 0.97364920082540 0.33163843053316 204.383 > 9 68 Tl 0.63366834180352 0.97364920082540 0.33163843053316 204.383 > 9 69 Tl 0.13366834180352 0.47364920082540 0.83163843053316 204.383 > 9 70 Tl 0.63366834180352 0.47364920082540 0.83163843053316 204.383 > 9 71 Tl 0.13366834180352 0.97364920082540 0.83163843053316 204.383 > 9 72 Tl 0.63366834180352 0.97364920082540 0.83163843053316 204.383 > 9 73 Tl 0.36633165819648 0.22364920082540 0.16836156946684 204.383 > 10 74 Tl 0.86633165819648 0.22364920082540 0.16836156946684 204.383 > 10 75 Tl 0.36633165819648 0.72364920082540 0.16836156946684 204.383 > 10 76 Tl 0.86633165819648 0.72364920082540 0.16836156946684 204.383 > 10 77 Tl 0.36633165819648 0.22364920082540 0.66836156946684 204.383 > 10 78 Tl 0.86633165819648 0.22364920082540 0.66836156946684 204.383 > 10 79 Tl 0.36633165819648 0.72364920082540 0.66836156946684 204.383 > 10 80 Tl 0.86633165819648 0.72364920082540 0.66836156946684 204.383 > 10 81 Tl 0.36633165819648 0.02635079917460 0.16836156946684 204.383 > 11 82 Tl 0.86633165819648 0.02635079917460 0.16836156946684 204.383 > 11 83 Tl 0.36633165819648 0.52635079917460 0.16836156946684 204.383 > 11 84 Tl 0.86633165819648 0.52635079917460 0.16836156946684 204.383 > 11 85 Tl 0.36633165819648 0.02635079917460 0.66836156946684 204.383 > 11 86 Tl 0.86633165819648 0.02635079917460 0.66836156946684 204.383 > 11 87 Tl 0.36633165819648 0.52635079917460 0.66836156946684 204.383 > 11 88 Tl 0.86633165819648 0.52635079917460 0.66836156946684 204.383 > 11 89 Tl 0.13366834180352 0.27635079917460 0.33163843053316 204.383 > 12 90 Tl 0.63366834180352 0.27635079917460 0.33163843053316 204.383 > 12 91 Tl 0.13366834180352 0.77635079917460 0.33163843053316 204.383 > 12 92 Tl 0.63366834180352 0.77635079917460 0.33163843053316 204.383 > 12 93 Tl 0.13366834180352 0.27635079917460 0.83163843053316 204.383 > 12 94 Tl 0.63366834180352 0.27635079917460 0.83163843053316 204.383 > 12 95 Tl 0.13366834180352 0.77635079917460 0.83163843053316 204.383 > 12 96 Tl 0.63366834180352 0.77635079917460 0.83163843053316 204.383 > 12 *97 Tl 0.40080211581652 0.37500000000000 0.49290465376565 204.383 > 13 98 Tl 0.90080211581652 0.37500000000000 0.49290465376565 204.383 > 13 99 Tl 0.40080211581652 0.87500000000000 0.49290465376565 204.383 > 13 100 Tl 0.90080211581652 0.87500000000000 0.49290465376565 204.383 > 13 101 Tl 0.40080211581652 0.37500000000000 0.99290465376565 204.383 > 13 102 Tl 0.90080211581652 0.37500000000000 0.99290465376565 204.383 > 13 103 Tl 0.40080211581652 0.87500000000000 0.99290465376565 204.383 > 13 104 Tl 0.90080211581652 0.87500000000000 0.99290465376565 204.383 > 13 105 Tl 0.09919788418348 0.12500000000000 0.00709534623435 204.383 > 14 106 Tl 0.59919788418348 0.12500000000000 0.00709534623435 204.383 > 14 107 Tl 0.09919788418348 0.62500000000000 0.00709534623435 204.383 > 14 108 Tl 0.59919788418348 0.62500000000000 0.00709534623435 204.383 > 14 109 Tl 0.09919788418348 0.12500000000000 0.50709534623435 204.383 > 14 110 Tl 0.59919788418348 0.12500000000000 0.50709534623435 204.383 > 14 111 Tl 0.09919788418348 0.62500000000000 0.50709534623435 204.383 > 14 112 Tl 0.59919788418348 0.62500000000000 0.50709534623435 204.383 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9264902 0.0000000 1.0765137 0.0000000 12.5469746 0.0000000 1.0765148 0.0000000 9.6089060 -------------------------- Born effective charges -------------------------- 1 B 1.1683850 0.0000000 1.6519848 0.0000000 2.7024155 0.0000000 1.9961895 0.0000000 0.1447401 2 B 1.1683850 0.0000000 1.6519848 0.0000000 2.7024155 0.0000000 1.9961895 0.0000000 0.1447401 3 Se -2.6861957 -0.0441083 -0.7611267 -0.2000458 -2.7371331 -0.3237624 -0.8299619 -0.0759469 -2.0196309 4 Se -2.6861957 0.0441083 -0.7611267 0.2000458 -2.7371331 0.3237624 -0.8299619 0.0759469 -2.0196309 5 Se -2.6861957 -0.0441083 -0.7611267 -0.2000458 -2.7371331 -0.3237624 -0.8299619 -0.0759469 -2.0196309 6 Se -2.6861957 0.0441083 -0.7611267 0.2000458 -2.7371331 0.3237624 -0.8299619 0.0759469 -2.0196309 7 Se -2.2782139 0.0000000 -0.5669687 0.0000000 -3.1171943 0.0000000 -0.5778480 0.0000000 -2.5963489 8 Se -2.2782139 0.0000000 -0.5669687 0.0000000 -3.1171943 0.0000000 -0.5778480 0.0000000 -2.5963489 9 Tl 2.0820403 -0.0879965 0.0783466 -0.0495562 1.9306462 0.2484685 -0.0408518 0.1894551 2.3031793 10 Tl 2.0820403 0.0879965 0.0783466 0.0495562 1.9306462 -0.2484685 -0.0408518 -0.1894551 2.3031793 11 Tl 2.0820403 -0.0879965 0.0783466 -0.0495562 1.9306462 0.2484685 -0.0408518 0.1894551 2.3031793 12 Tl 2.0820403 0.0879965 0.0783466 0.0495562 1.9306462 -0.2484685 -0.0408518 -0.1894551 2.3031793 13 Tl 2.3181397 0.0000000 0.2805441 0.0000000 2.0277526 0.0000000 0.3232860 0.0000000 1.8845118 14 Tl 2.3181397 0.0000000 0.2805441 0.0000000 2.0277526 0.0000000 0.3232860 0.0000000 1.8845118 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1876), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 419), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.066 Solver_block: 200 / 480 - Time: 3.087 Solver_block: 300 / 480 - Time: 3.080 Solver_block: 400 / 480 - Time: 3.088 Solver_block: 480 / 480 - Time: 2.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.856 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1876), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 419), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 07:16:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:16:10]------------------------- 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: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.486518370522234 0.000000000000000 0.000000000000000 b 0.000000000000000 10.216959090000000 0.000000000000000 c -0.789056065804434 0.000000000000000 6.650191473666045 Atomic positions (fractional): 1 B 0.38897681054520 0.75000000000000 0.26119655343311 10.811 2 B 0.61102318945480 0.25000000000000 0.73880344656689 10.811 3 Se 0.75639886005018 0.41663921557948 0.83658109431572 78.960 4 Se 0.24360113994981 0.91663921557948 0.16341890568428 78.960 5 Se 0.24360113994981 0.58336078442052 0.16341890568428 78.960 6 Se 0.75639886005018 0.08336078442052 0.83658109431572 78.960 7 Se 0.31950425456639 0.25000000000000 0.53911377449348 78.960 8 Se 0.68049574543361 0.75000000000000 0.46088622550652 78.960 9 Tl 0.26733668360705 0.94729840165081 0.66327686106632 204.383 10 Tl 0.73266331639295 0.44729840165081 0.33672313893368 204.383 11 Tl 0.73266331639295 0.05270159834919 0.33672313893368 204.383 12 Tl 0.26733668360705 0.55270159834919 0.66327686106632 204.383 13 Tl 0.80160423163303 0.75000000000000 0.98580930753130 204.383 14 Tl 0.19839576836697 0.25000000000000 0.01419069246870 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.973036741044467 0.000000000000000 0.000000000000000 b 0.000000000000000 20.433918179999999 0.000000000000000 c -1.578112131608868 0.000000000000000 13.300382947332089 Atomic positions (fractional): 1 B 0.19448840527260 0.37500000000000 0.13059827671656 10.811 > 1 2 B 0.69448840527260 0.37500000000000 0.13059827671656 10.811 > 1 3 B 0.19448840527260 0.87500000000000 0.13059827671656 10.811 > 1 4 B 0.69448840527260 0.87500000000000 0.13059827671656 10.811 > 1 5 B 0.19448840527260 0.37500000000000 0.63059827671656 10.811 > 1 6 B 0.69448840527260 0.37500000000000 0.63059827671656 10.811 > 1 7 B 0.19448840527260 0.87500000000000 0.63059827671656 10.811 > 1 8 B 0.69448840527260 0.87500000000000 0.63059827671656 10.811 > 1 9 B 0.30551159472740 0.12500000000000 0.36940172328344 10.811 > 9 10 B 0.80551159472740 0.12500000000000 0.36940172328344 10.811 > 9 11 B 0.30551159472740 0.62500000000000 0.36940172328344 10.811 > 9 12 B 0.80551159472740 0.62500000000000 0.36940172328344 10.811 > 9 13 B 0.30551159472740 0.12500000000000 0.86940172328344 10.811 > 9 14 B 0.80551159472740 0.12500000000000 0.86940172328344 10.811 > 9 15 B 0.30551159472740 0.62500000000000 0.86940172328344 10.811 > 9 16 B 0.80551159472740 0.62500000000000 0.86940172328344 10.811 > 9 17 Se 0.37819943002509 0.20831960778974 0.41829054715786 78.960 > 17 18 Se 0.87819943002509 0.20831960778974 0.41829054715786 78.960 > 17 19 Se 0.37819943002509 0.70831960778974 0.41829054715786 78.960 > 17 20 Se 0.87819943002509 0.70831960778974 0.41829054715786 78.960 > 17 21 Se 0.37819943002509 0.20831960778974 0.91829054715786 78.960 > 17 22 Se 0.87819943002509 0.20831960778974 0.91829054715786 78.960 > 17 23 Se 0.37819943002509 0.70831960778974 0.91829054715786 78.960 > 17 24 Se 0.87819943002509 0.70831960778974 0.91829054715786 78.960 > 17 25 Se 0.12180056997491 0.45831960778974 0.08170945284214 78.960 > 25 26 Se 0.62180056997491 0.45831960778974 0.08170945284214 78.960 > 25 27 Se 0.12180056997491 0.95831960778974 0.08170945284214 78.960 > 25 28 Se 0.62180056997491 0.95831960778974 0.08170945284214 78.960 > 25 29 Se 0.12180056997491 0.45831960778974 0.58170945284214 78.960 > 25 30 Se 0.62180056997491 0.45831960778974 0.58170945284214 78.960 > 25 31 Se 0.12180056997491 0.95831960778974 0.58170945284214 78.960 > 25 32 Se 0.62180056997491 0.95831960778974 0.58170945284214 78.960 > 25 33 Se 0.12180056997491 0.29168039221026 0.08170945284214 78.960 > 33 34 Se 0.62180056997491 0.29168039221026 0.08170945284214 78.960 > 33 35 Se 0.12180056997491 0.79168039221026 0.08170945284214 78.960 > 33 36 Se 0.62180056997491 0.79168039221026 0.08170945284214 78.960 > 33 37 Se 0.12180056997491 0.29168039221026 0.58170945284214 78.960 > 33 38 Se 0.62180056997491 0.29168039221026 0.58170945284214 78.960 > 33 39 Se 0.12180056997491 0.79168039221026 0.58170945284214 78.960 > 33 40 Se 0.62180056997491 0.79168039221026 0.58170945284214 78.960 > 33 41 Se 0.37819943002509 0.04168039221026 0.41829054715786 78.960 > 41 42 Se 0.87819943002509 0.04168039221026 0.41829054715786 78.960 > 41 43 Se 0.37819943002509 0.54168039221026 0.41829054715786 78.960 > 41 44 Se 0.87819943002509 0.54168039221026 0.41829054715786 78.960 > 41 45 Se 0.37819943002509 0.04168039221026 0.91829054715786 78.960 > 41 46 Se 0.87819943002509 0.04168039221026 0.91829054715786 78.960 > 41 47 Se 0.37819943002509 0.54168039221026 0.91829054715786 78.960 > 41 48 Se 0.87819943002509 0.54168039221026 0.91829054715786 78.960 > 41 49 Se 0.15975212728320 0.12500000000000 0.26955688724674 78.960 > 49 50 Se 0.65975212728320 0.12500000000000 0.26955688724674 78.960 > 49 51 Se 0.15975212728320 0.62500000000000 0.26955688724674 78.960 > 49 52 Se 0.65975212728320 0.62500000000000 0.26955688724674 78.960 > 49 53 Se 0.15975212728320 0.12500000000000 0.76955688724674 78.960 > 49 54 Se 0.65975212728320 0.12500000000000 0.76955688724674 78.960 > 49 55 Se 0.15975212728320 0.62500000000000 0.76955688724674 78.960 > 49 56 Se 0.65975212728320 0.62500000000000 0.76955688724674 78.960 > 49 57 Se 0.34024787271680 0.37500000000000 0.23044311275326 78.960 > 57 58 Se 0.84024787271680 0.37500000000000 0.23044311275326 78.960 > 57 59 Se 0.34024787271680 0.87500000000000 0.23044311275326 78.960 > 57 60 Se 0.84024787271680 0.87500000000000 0.23044311275326 78.960 > 57 61 Se 0.34024787271680 0.37500000000000 0.73044311275326 78.960 > 57 62 Se 0.84024787271680 0.37500000000000 0.73044311275326 78.960 > 57 63 Se 0.34024787271680 0.87500000000000 0.73044311275326 78.960 > 57 64 Se 0.84024787271680 0.87500000000000 0.73044311275326 78.960 > 57 65 Tl 0.13366834180352 0.47364920082540 0.33163843053316 204.383 > 65 66 Tl 0.63366834180352 0.47364920082540 0.33163843053316 204.383 > 65 67 Tl 0.13366834180352 0.97364920082540 0.33163843053316 204.383 > 65 68 Tl 0.63366834180352 0.97364920082540 0.33163843053316 204.383 > 65 69 Tl 0.13366834180352 0.47364920082540 0.83163843053316 204.383 > 65 70 Tl 0.63366834180352 0.47364920082540 0.83163843053316 204.383 > 65 71 Tl 0.13366834180352 0.97364920082540 0.83163843053316 204.383 > 65 72 Tl 0.63366834180352 0.97364920082540 0.83163843053316 204.383 > 65 73 Tl 0.36633165819648 0.22364920082540 0.16836156946684 204.383 > 73 74 Tl 0.86633165819648 0.22364920082540 0.16836156946684 204.383 > 73 75 Tl 0.36633165819648 0.72364920082540 0.16836156946684 204.383 > 73 76 Tl 0.86633165819648 0.72364920082540 0.16836156946684 204.383 > 73 77 Tl 0.36633165819648 0.22364920082540 0.66836156946684 204.383 > 73 78 Tl 0.86633165819648 0.22364920082540 0.66836156946684 204.383 > 73 79 Tl 0.36633165819648 0.72364920082540 0.66836156946684 204.383 > 73 80 Tl 0.86633165819648 0.72364920082540 0.66836156946684 204.383 > 73 81 Tl 0.36633165819648 0.02635079917460 0.16836156946684 204.383 > 81 82 Tl 0.86633165819648 0.02635079917460 0.16836156946684 204.383 > 81 83 Tl 0.36633165819648 0.52635079917460 0.16836156946684 204.383 > 81 84 Tl 0.86633165819648 0.52635079917460 0.16836156946684 204.383 > 81 85 Tl 0.36633165819648 0.02635079917460 0.66836156946684 204.383 > 81 86 Tl 0.86633165819648 0.02635079917460 0.66836156946684 204.383 > 81 87 Tl 0.36633165819648 0.52635079917460 0.66836156946684 204.383 > 81 88 Tl 0.86633165819648 0.52635079917460 0.66836156946684 204.383 > 81 89 Tl 0.13366834180352 0.27635079917460 0.33163843053316 204.383 > 89 90 Tl 0.63366834180352 0.27635079917460 0.33163843053316 204.383 > 89 91 Tl 0.13366834180352 0.77635079917460 0.33163843053316 204.383 > 89 92 Tl 0.63366834180352 0.77635079917460 0.33163843053316 204.383 > 89 93 Tl 0.13366834180352 0.27635079917460 0.83163843053316 204.383 > 89 94 Tl 0.63366834180352 0.27635079917460 0.83163843053316 204.383 > 89 95 Tl 0.13366834180352 0.77635079917460 0.83163843053316 204.383 > 89 96 Tl 0.63366834180352 0.77635079917460 0.83163843053316 204.383 > 89 97 Tl 0.40080211581652 0.37500000000000 0.49290465376565 204.383 > 97 98 Tl 0.90080211581652 0.37500000000000 0.49290465376565 204.383 > 97 99 Tl 0.40080211581652 0.87500000000000 0.49290465376565 204.383 > 97 100 Tl 0.90080211581652 0.87500000000000 0.49290465376565 204.383 > 97 101 Tl 0.40080211581652 0.37500000000000 0.99290465376565 204.383 > 97 102 Tl 0.90080211581652 0.37500000000000 0.99290465376565 204.383 > 97 103 Tl 0.40080211581652 0.87500000000000 0.99290465376565 204.383 > 97 104 Tl 0.90080211581652 0.87500000000000 0.99290465376565 204.383 > 97 105 Tl 0.09919788418348 0.12500000000000 0.00709534623435 204.383 > 105 106 Tl 0.59919788418348 0.12500000000000 0.00709534623435 204.383 > 105 107 Tl 0.09919788418348 0.62500000000000 0.00709534623435 204.383 > 105 108 Tl 0.59919788418348 0.62500000000000 0.00709534623435 204.383 > 105 109 Tl 0.09919788418348 0.12500000000000 0.50709534623435 204.383 > 105 110 Tl 0.59919788418348 0.12500000000000 0.50709534623435 204.383 > 105 111 Tl 0.09919788418348 0.62500000000000 0.50709534623435 204.383 > 105 112 Tl 0.59919788418348 0.62500000000000 0.50709534623435 204.383 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9264902 0.0000000 1.0765137 0.0000000 12.5469746 0.0000000 1.0765148 0.0000000 9.6089060 -------------------------- Born effective charges -------------------------- 1 B 1.1683850 0.0000000 1.6519848 0.0000000 2.7024155 0.0000000 1.9961895 0.0000000 0.1447401 2 B 1.1683850 0.0000000 1.6519848 0.0000000 2.7024155 0.0000000 1.9961895 0.0000000 0.1447401 3 Se -2.6861957 -0.0441083 -0.7611267 -0.2000458 -2.7371331 -0.3237624 -0.8299619 -0.0759469 -2.0196309 4 Se -2.6861957 0.0441083 -0.7611267 0.2000458 -2.7371331 0.3237624 -0.8299619 0.0759469 -2.0196309 5 Se -2.6861957 -0.0441083 -0.7611267 -0.2000458 -2.7371331 -0.3237624 -0.8299619 -0.0759469 -2.0196309 6 Se -2.6861957 0.0441083 -0.7611267 0.2000458 -2.7371331 0.3237624 -0.8299619 0.0759469 -2.0196309 7 Se -2.2782139 0.0000000 -0.5669687 0.0000000 -3.1171943 0.0000000 -0.5778480 0.0000000 -2.5963489 8 Se -2.2782139 0.0000000 -0.5669687 0.0000000 -3.1171943 0.0000000 -0.5778480 0.0000000 -2.5963489 9 Tl 2.0820403 -0.0879965 0.0783466 -0.0495562 1.9306462 0.2484685 -0.0408518 0.1894551 2.3031793 10 Tl 2.0820403 0.0879965 0.0783466 0.0495562 1.9306462 -0.2484685 -0.0408518 -0.1894551 2.3031793 11 Tl 2.0820403 -0.0879965 0.0783466 -0.0495562 1.9306462 0.2484685 -0.0408518 0.1894551 2.3031793 12 Tl 2.0820403 0.0879965 0.0783466 0.0495562 1.9306462 -0.2484685 -0.0408518 -0.1894551 2.3031793 13 Tl 2.3181397 0.0000000 0.2805441 0.0000000 2.0277526 0.0000000 0.3232860 0.0000000 1.8845118 14 Tl 2.3181397 0.0000000 0.2805441 0.0000000 2.0277526 0.0000000 0.3232860 0.0000000 1.8845118 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 17, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 65, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000248 (xxx) 0.00000248 (xxx) 0.00000248 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:16:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:16:28]------------------------- 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: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.486518370522234 0.000000000000000 0.000000000000000 b 0.000000000000000 10.216959090000000 0.000000000000000 c -0.789056065804434 0.000000000000000 6.650191473666045 Atomic positions (fractional): 1 B 0.38897681054520 0.75000000000000 0.26119655343311 10.811 2 B 0.61102318945480 0.25000000000000 0.73880344656689 10.811 3 Se 0.75639886005018 0.41663921557948 0.83658109431572 78.960 4 Se 0.24360113994981 0.91663921557948 0.16341890568428 78.960 5 Se 0.24360113994981 0.58336078442052 0.16341890568428 78.960 6 Se 0.75639886005018 0.08336078442052 0.83658109431572 78.960 7 Se 0.31950425456639 0.25000000000000 0.53911377449348 78.960 8 Se 0.68049574543361 0.75000000000000 0.46088622550652 78.960 9 Tl 0.26733668360705 0.94729840165081 0.66327686106632 204.383 10 Tl 0.73266331639295 0.44729840165081 0.33672313893368 204.383 11 Tl 0.73266331639295 0.05270159834919 0.33672313893368 204.383 12 Tl 0.26733668360705 0.55270159834919 0.66327686106632 204.383 13 Tl 0.80160423163303 0.75000000000000 0.98580930753130 204.383 14 Tl 0.19839576836697 0.25000000000000 0.01419069246870 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.973036741044467 0.000000000000000 0.000000000000000 b 0.000000000000000 20.433918179999999 0.000000000000000 c -1.578112131608868 0.000000000000000 13.300382947332089 Atomic positions (fractional): 1 B 0.19448840527260 0.37500000000000 0.13059827671656 10.811 > 1 2 B 0.69448840527260 0.37500000000000 0.13059827671656 10.811 > 1 3 B 0.19448840527260 0.87500000000000 0.13059827671656 10.811 > 1 4 B 0.69448840527260 0.87500000000000 0.13059827671656 10.811 > 1 5 B 0.19448840527260 0.37500000000000 0.63059827671656 10.811 > 1 6 B 0.69448840527260 0.37500000000000 0.63059827671656 10.811 > 1 7 B 0.19448840527260 0.87500000000000 0.63059827671656 10.811 > 1 8 B 0.69448840527260 0.87500000000000 0.63059827671656 10.811 > 1 9 B 0.30551159472740 0.12500000000000 0.36940172328344 10.811 > 9 10 B 0.80551159472740 0.12500000000000 0.36940172328344 10.811 > 9 11 B 0.30551159472740 0.62500000000000 0.36940172328344 10.811 > 9 12 B 0.80551159472740 0.62500000000000 0.36940172328344 10.811 > 9 13 B 0.30551159472740 0.12500000000000 0.86940172328344 10.811 > 9 14 B 0.80551159472740 0.12500000000000 0.86940172328344 10.811 > 9 15 B 0.30551159472740 0.62500000000000 0.86940172328344 10.811 > 9 16 B 0.80551159472740 0.62500000000000 0.86940172328344 10.811 > 9 17 Se 0.37819943002509 0.20831960778974 0.41829054715786 78.960 > 17 18 Se 0.87819943002509 0.20831960778974 0.41829054715786 78.960 > 17 19 Se 0.37819943002509 0.70831960778974 0.41829054715786 78.960 > 17 20 Se 0.87819943002509 0.70831960778974 0.41829054715786 78.960 > 17 21 Se 0.37819943002509 0.20831960778974 0.91829054715786 78.960 > 17 22 Se 0.87819943002509 0.20831960778974 0.91829054715786 78.960 > 17 23 Se 0.37819943002509 0.70831960778974 0.91829054715786 78.960 > 17 24 Se 0.87819943002509 0.70831960778974 0.91829054715786 78.960 > 17 25 Se 0.12180056997491 0.45831960778974 0.08170945284214 78.960 > 25 26 Se 0.62180056997491 0.45831960778974 0.08170945284214 78.960 > 25 27 Se 0.12180056997491 0.95831960778974 0.08170945284214 78.960 > 25 28 Se 0.62180056997491 0.95831960778974 0.08170945284214 78.960 > 25 29 Se 0.12180056997491 0.45831960778974 0.58170945284214 78.960 > 25 30 Se 0.62180056997491 0.45831960778974 0.58170945284214 78.960 > 25 31 Se 0.12180056997491 0.95831960778974 0.58170945284214 78.960 > 25 32 Se 0.62180056997491 0.95831960778974 0.58170945284214 78.960 > 25 33 Se 0.12180056997491 0.29168039221026 0.08170945284214 78.960 > 33 34 Se 0.62180056997491 0.29168039221026 0.08170945284214 78.960 > 33 35 Se 0.12180056997491 0.79168039221026 0.08170945284214 78.960 > 33 36 Se 0.62180056997491 0.79168039221026 0.08170945284214 78.960 > 33 37 Se 0.12180056997491 0.29168039221026 0.58170945284214 78.960 > 33 38 Se 0.62180056997491 0.29168039221026 0.58170945284214 78.960 > 33 39 Se 0.12180056997491 0.79168039221026 0.58170945284214 78.960 > 33 40 Se 0.62180056997491 0.79168039221026 0.58170945284214 78.960 > 33 41 Se 0.37819943002509 0.04168039221026 0.41829054715786 78.960 > 41 42 Se 0.87819943002509 0.04168039221026 0.41829054715786 78.960 > 41 43 Se 0.37819943002509 0.54168039221026 0.41829054715786 78.960 > 41 44 Se 0.87819943002509 0.54168039221026 0.41829054715786 78.960 > 41 45 Se 0.37819943002509 0.04168039221026 0.91829054715786 78.960 > 41 46 Se 0.87819943002509 0.04168039221026 0.91829054715786 78.960 > 41 47 Se 0.37819943002509 0.54168039221026 0.91829054715786 78.960 > 41 48 Se 0.87819943002509 0.54168039221026 0.91829054715786 78.960 > 41 49 Se 0.15975212728320 0.12500000000000 0.26955688724674 78.960 > 49 50 Se 0.65975212728320 0.12500000000000 0.26955688724674 78.960 > 49 51 Se 0.15975212728320 0.62500000000000 0.26955688724674 78.960 > 49 52 Se 0.65975212728320 0.62500000000000 0.26955688724674 78.960 > 49 53 Se 0.15975212728320 0.12500000000000 0.76955688724674 78.960 > 49 54 Se 0.65975212728320 0.12500000000000 0.76955688724674 78.960 > 49 55 Se 0.15975212728320 0.62500000000000 0.76955688724674 78.960 > 49 56 Se 0.65975212728320 0.62500000000000 0.76955688724674 78.960 > 49 57 Se 0.34024787271680 0.37500000000000 0.23044311275326 78.960 > 57 58 Se 0.84024787271680 0.37500000000000 0.23044311275326 78.960 > 57 59 Se 0.34024787271680 0.87500000000000 0.23044311275326 78.960 > 57 60 Se 0.84024787271680 0.87500000000000 0.23044311275326 78.960 > 57 61 Se 0.34024787271680 0.37500000000000 0.73044311275326 78.960 > 57 62 Se 0.84024787271680 0.37500000000000 0.73044311275326 78.960 > 57 63 Se 0.34024787271680 0.87500000000000 0.73044311275326 78.960 > 57 64 Se 0.84024787271680 0.87500000000000 0.73044311275326 78.960 > 57 65 Tl 0.13366834180352 0.47364920082540 0.33163843053316 204.383 > 65 66 Tl 0.63366834180352 0.47364920082540 0.33163843053316 204.383 > 65 67 Tl 0.13366834180352 0.97364920082540 0.33163843053316 204.383 > 65 68 Tl 0.63366834180352 0.97364920082540 0.33163843053316 204.383 > 65 69 Tl 0.13366834180352 0.47364920082540 0.83163843053316 204.383 > 65 70 Tl 0.63366834180352 0.47364920082540 0.83163843053316 204.383 > 65 71 Tl 0.13366834180352 0.97364920082540 0.83163843053316 204.383 > 65 72 Tl 0.63366834180352 0.97364920082540 0.83163843053316 204.383 > 65 73 Tl 0.36633165819648 0.22364920082540 0.16836156946684 204.383 > 73 74 Tl 0.86633165819648 0.22364920082540 0.16836156946684 204.383 > 73 75 Tl 0.36633165819648 0.72364920082540 0.16836156946684 204.383 > 73 76 Tl 0.86633165819648 0.72364920082540 0.16836156946684 204.383 > 73 77 Tl 0.36633165819648 0.22364920082540 0.66836156946684 204.383 > 73 78 Tl 0.86633165819648 0.22364920082540 0.66836156946684 204.383 > 73 79 Tl 0.36633165819648 0.72364920082540 0.66836156946684 204.383 > 73 80 Tl 0.86633165819648 0.72364920082540 0.66836156946684 204.383 > 73 81 Tl 0.36633165819648 0.02635079917460 0.16836156946684 204.383 > 81 82 Tl 0.86633165819648 0.02635079917460 0.16836156946684 204.383 > 81 83 Tl 0.36633165819648 0.52635079917460 0.16836156946684 204.383 > 81 84 Tl 0.86633165819648 0.52635079917460 0.16836156946684 204.383 > 81 85 Tl 0.36633165819648 0.02635079917460 0.66836156946684 204.383 > 81 86 Tl 0.86633165819648 0.02635079917460 0.66836156946684 204.383 > 81 87 Tl 0.36633165819648 0.52635079917460 0.66836156946684 204.383 > 81 88 Tl 0.86633165819648 0.52635079917460 0.66836156946684 204.383 > 81 89 Tl 0.13366834180352 0.27635079917460 0.33163843053316 204.383 > 89 90 Tl 0.63366834180352 0.27635079917460 0.33163843053316 204.383 > 89 91 Tl 0.13366834180352 0.77635079917460 0.33163843053316 204.383 > 89 92 Tl 0.63366834180352 0.77635079917460 0.33163843053316 204.383 > 89 93 Tl 0.13366834180352 0.27635079917460 0.83163843053316 204.383 > 89 94 Tl 0.63366834180352 0.27635079917460 0.83163843053316 204.383 > 89 95 Tl 0.13366834180352 0.77635079917460 0.83163843053316 204.383 > 89 96 Tl 0.63366834180352 0.77635079917460 0.83163843053316 204.383 > 89 97 Tl 0.40080211581652 0.37500000000000 0.49290465376565 204.383 > 97 98 Tl 0.90080211581652 0.37500000000000 0.49290465376565 204.383 > 97 99 Tl 0.40080211581652 0.87500000000000 0.49290465376565 204.383 > 97 100 Tl 0.90080211581652 0.87500000000000 0.49290465376565 204.383 > 97 101 Tl 0.40080211581652 0.37500000000000 0.99290465376565 204.383 > 97 102 Tl 0.90080211581652 0.37500000000000 0.99290465376565 204.383 > 97 103 Tl 0.40080211581652 0.87500000000000 0.99290465376565 204.383 > 97 104 Tl 0.90080211581652 0.87500000000000 0.99290465376565 204.383 > 97 105 Tl 0.09919788418348 0.12500000000000 0.00709534623435 204.383 > 105 106 Tl 0.59919788418348 0.12500000000000 0.00709534623435 204.383 > 105 107 Tl 0.09919788418348 0.62500000000000 0.00709534623435 204.383 > 105 108 Tl 0.59919788418348 0.62500000000000 0.00709534623435 204.383 > 105 109 Tl 0.09919788418348 0.12500000000000 0.50709534623435 204.383 > 105 110 Tl 0.59919788418348 0.12500000000000 0.50709534623435 204.383 > 105 111 Tl 0.09919788418348 0.62500000000000 0.50709534623435 204.383 > 105 112 Tl 0.59919788418348 0.62500000000000 0.50709534623435 204.383 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9264902 0.0000000 1.0765137 0.0000000 12.5469746 0.0000000 1.0765148 0.0000000 9.6089060 -------------------------- Born effective charges -------------------------- 1 B 1.1683850 0.0000000 1.6519848 0.0000000 2.7024155 0.0000000 1.9961895 0.0000000 0.1447401 2 B 1.1683850 0.0000000 1.6519848 0.0000000 2.7024155 0.0000000 1.9961895 0.0000000 0.1447401 3 Se -2.6861957 -0.0441083 -0.7611267 -0.2000458 -2.7371331 -0.3237624 -0.8299619 -0.0759469 -2.0196309 4 Se -2.6861957 0.0441083 -0.7611267 0.2000458 -2.7371331 0.3237624 -0.8299619 0.0759469 -2.0196309 5 Se -2.6861957 -0.0441083 -0.7611267 -0.2000458 -2.7371331 -0.3237624 -0.8299619 -0.0759469 -2.0196309 6 Se -2.6861957 0.0441083 -0.7611267 0.2000458 -2.7371331 0.3237624 -0.8299619 0.0759469 -2.0196309 7 Se -2.2782139 0.0000000 -0.5669687 0.0000000 -3.1171943 0.0000000 -0.5778480 0.0000000 -2.5963489 8 Se -2.2782139 0.0000000 -0.5669687 0.0000000 -3.1171943 0.0000000 -0.5778480 0.0000000 -2.5963489 9 Tl 2.0820403 -0.0879965 0.0783466 -0.0495562 1.9306462 0.2484685 -0.0408518 0.1894551 2.3031793 10 Tl 2.0820403 0.0879965 0.0783466 0.0495562 1.9306462 -0.2484685 -0.0408518 -0.1894551 2.3031793 11 Tl 2.0820403 -0.0879965 0.0783466 -0.0495562 1.9306462 0.2484685 -0.0408518 0.1894551 2.3031793 12 Tl 2.0820403 0.0879965 0.0783466 0.0495562 1.9306462 -0.2484685 -0.0408518 -0.1894551 2.3031793 13 Tl 2.3181397 0.0000000 0.2805441 0.0000000 2.0277526 0.0000000 0.3232860 0.0000000 1.8845118 14 Tl 2.3181397 0.0000000 0.2805441 0.0000000 2.0277526 0.0000000 0.3232860 0.0000000 1.8845118 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000248 (xxx) 0.00000248 (xxx) 0.00000248 (xxx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 9 5 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: 0.58, Number of G-points: 291, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/111) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 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 0.501 ( 0.000 0.000 0.000) 0.000 0.714 ( 0.000 0.000 0.000) 0.000 0.765 ( 0.000 0.000 0.000) 0.000 0.776 ( 0.000 0.000 0.000) 0.000 0.909 ( 0.000 0.000 0.000) 0.000 0.935 ( 0.000 0.000 0.000) 0.000 0.998 ( 0.000 0.000 0.000) 0.000 1.120 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.243 ( 0.000 0.000 0.000) 0.000 21.634 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/111) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.097 ( 5.548 0.000 0.778) 5.602 0.157 ( 6.899 0.000 5.828) 9.031 0.270 ( 13.377 0.000 -1.823) 13.501 0.500 ( -0.058 0.000 0.698) 0.701 0.706 ( -0.673 0.000 -1.250) 1.419 0.762 ( -0.977 0.000 -0.073) 0.980 0.770 ( 0.048 0.000 0.206) 0.212 0.918 ( 1.131 0.000 -1.142) 1.607 0.923 ( -0.840 0.000 -0.430) 0.944 0.983 ( -1.416 0.000 0.534) 1.513 1.178 ( -4.112 0.000 3.868) 5.646 1.198 ( -1.706 0.000 -0.993) 1.974 1.225 ( -2.235 0.000 1.339) 2.606 1.288 ( 1.736 0.000 1.805) 2.504 1.336 ( -0.047 0.000 2.706) 2.707 1.351 ( -0.328 0.000 0.299) 0.444 1.584 ( 2.966 0.000 2.009) 3.582 1.655 ( 0.117 0.000 0.598) 0.610 1.665 ( 0.026 0.000 -3.141) 3.141 1.727 ( -2.117 0.000 2.868) 3.565 1.791 ( 0.495 0.000 -1.094) 1.201 1.846 ( -0.675 0.000 -7.006) 7.038 1.909 ( 0.442 0.000 2.323) 2.365 2.072 ( -0.880 0.000 -0.403) 0.968 2.127 ( 0.066 0.000 0.765) 0.768 2.218 ( -1.428 0.000 -0.744) 1.610 2.388 ( -0.533 0.000 -0.936) 1.077 2.592 ( 0.767 0.000 -1.897) 2.046 2.755 ( 0.356 0.000 -3.359) 3.378 2.805 ( -1.995 0.000 0.871) 2.177 4.291 ( -0.782 0.000 0.350) 0.856 4.414 ( 1.897 0.000 0.617) 1.995 4.662 ( -3.318 0.000 1.363) 3.587 4.724 ( -0.190 0.000 1.582) 1.594 7.410 ( -0.170 0.000 0.163) 0.236 7.459 ( -0.118 0.000 0.196) 0.229 9.986 ( -0.296 0.000 0.544) 0.619 10.087 ( -0.220 0.000 -2.295) 2.305 21.116 ( 2.603 0.000 0.362) 2.628 21.209 ( 1.708 0.000 -0.023) 1.709 21.505 ( -1.981 0.000 13.384) 13.530 21.619 ( -1.536 0.000 0.417) 1.592 ======================= Grid point 2 (3/111) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 7.217 0.000 2.027) 7.496 0.307 ( 6.501 0.000 5.169) 8.306 0.510 ( 1.107 0.000 1.094) 1.556 0.514 ( 10.141 0.000 -1.928) 10.322 0.681 ( -1.279 0.000 -0.390) 1.338 0.751 ( -1.278 0.000 -1.839) 2.240 0.762 ( 1.253 0.000 -0.485) 1.344 0.923 ( 1.116 0.000 0.953) 1.467 0.947 ( 1.931 0.000 -2.023) 2.797 0.953 ( -1.397 0.000 -0.253) 1.420 1.100 ( -4.149 0.000 0.343) 4.163 1.150 ( -2.997 0.000 -0.232) 3.006 1.168 ( -3.604 0.000 2.691) 4.498 1.285 ( -2.014 0.000 2.084) 2.898 1.340 ( -0.968 0.000 0.838) 1.280 1.379 ( 2.740 0.000 3.150) 4.175 1.625 ( 0.063 0.000 3.079) 3.079 1.647 ( -1.083 0.000 -0.663) 1.270 1.656 ( -0.277 0.000 0.679) 0.733 1.709 ( -0.055 0.000 -0.727) 0.730 1.792 ( 0.156 0.000 0.089) 0.179 1.827 ( 0.430 0.000 -5.168) 5.186 1.912 ( -0.625 0.000 0.755) 0.979 2.044 ( -1.627 0.000 -0.631) 1.746 2.136 ( 0.582 0.000 1.308) 1.431 2.178 ( -2.235 0.000 -1.553) 2.721 2.379 ( 0.102 0.000 -1.022) 1.027 2.597 ( 0.107 0.000 -3.906) 3.908 2.751 ( 0.026 0.000 -3.426) 3.426 2.757 ( -2.684 0.000 2.308) 3.540 4.283 ( -0.078 0.000 0.269) 0.280 4.450 ( 1.247 0.000 1.000) 1.599 4.588 ( -3.855 0.000 -0.075) 3.856 4.717 ( -0.656 0.000 0.532) 0.845 7.406 ( -0.279 0.000 0.517) 0.587 7.456 ( -0.207 0.000 0.055) 0.215 9.979 ( -0.454 0.000 0.802) 0.922 10.073 ( -0.579 0.000 -1.808) 1.899 21.187 ( 4.029 0.000 0.506) 4.060 21.256 ( 2.828 0.000 -0.258) 2.839 21.493 ( -1.397 0.000 5.523) 5.697 21.579 ( -2.391 0.000 0.898) 2.555 ======================= Grid point 3 (4/111) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 7.271 0.000 2.410) 7.660 0.430 ( 4.093 0.000 3.155) 5.167 0.568 ( 4.590 0.000 1.191) 4.742 0.599 ( -0.903 0.000 -2.274) 2.447 0.665 ( -0.196 0.000 0.767) 0.791 0.776 ( 3.968 0.000 -2.693) 4.796 0.797 ( 1.709 0.000 0.111) 1.713 0.927 ( -0.892 0.000 -1.057) 1.383 0.948 ( -1.728 0.000 -1.743) 2.455 0.982 ( 1.881 0.000 -2.419) 3.064 1.027 ( -0.592 0.000 2.623) 2.689 1.076 ( -4.112 0.000 0.173) 4.115 1.110 ( -2.494 0.000 2.699) 3.675 1.238 ( -2.688 0.000 1.244) 2.962 1.323 ( -0.699 0.000 1.301) 1.477 1.430 ( 1.418 0.000 2.238) 2.649 1.607 ( -2.051 0.000 2.956) 3.598 1.633 ( -0.276 0.000 1.280) 1.309 1.649 ( -0.314 0.000 -0.140) 0.344 1.705 ( -0.276 0.000 -1.457) 1.483 1.823 ( 3.103 0.000 0.709) 3.183 1.833 ( 0.766 0.000 -2.009) 2.151 1.884 ( -2.073 0.000 -0.832) 2.233 2.010 ( -1.371 0.000 -0.789) 1.582 2.118 ( -3.277 0.000 -2.159) 3.924 2.152 ( 0.650 0.000 0.704) 0.959 2.391 ( 1.136 0.000 -0.152) 1.146 2.567 ( -2.040 0.000 -4.157) 4.631 2.724 ( -1.053 0.000 2.567) 2.775 2.739 ( -0.339 0.000 -3.164) 3.182 4.286 ( 0.185 0.000 0.005) 0.185 4.468 ( 0.366 0.000 0.933) 1.002 4.515 ( -3.095 0.000 -0.377) 3.118 4.706 ( -0.443 0.000 0.269) 0.518 7.402 ( -0.241 0.000 0.708) 0.748 7.451 ( -0.221 0.000 -0.204) 0.301 9.972 ( -0.400 0.000 0.676) 0.785 10.057 ( -0.585 0.000 -1.303) 1.428 21.270 ( 3.835 0.000 0.378) 3.854 21.316 ( 3.010 0.000 -0.663) 3.083 21.475 ( -1.330 0.000 2.545) 2.872 21.531 ( -2.472 0.000 1.258) 2.774 ======================= Grid point 4 (5/111) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 1.115 0.000 0.843) 1.398 0.518 ( 4.351 0.000 2.539) 5.037 0.563 ( -1.132 0.000 -2.214) 2.487 0.647 ( 0.933 0.000 0.195) 0.954 0.707 ( 5.010 0.000 0.857) 5.083 0.804 ( -1.837 0.000 0.767) 1.991 0.828 ( 1.448 0.000 -2.664) 3.032 0.851 ( -4.167 0.000 0.106) 4.168 0.911 ( -0.528 0.000 -0.294) 0.604 0.996 ( -0.917 0.000 -3.074) 3.208 1.012 ( -0.612 0.000 1.773) 1.876 1.074 ( 1.361 0.000 1.823) 2.275 1.082 ( -0.299 0.000 0.110) 0.318 1.197 ( -1.188 0.000 0.139) 1.196 1.322 ( 0.146 0.000 0.792) 0.805 1.448 ( 0.206 0.000 0.855) 0.879 1.580 ( -0.891 0.000 1.846) 2.050 1.636 ( 0.103 0.000 0.538) 0.547 1.647 ( 0.212 0.000 -0.742) 0.772 1.696 ( -0.201 0.000 -0.295) 0.357 1.827 ( -1.551 0.000 0.095) 1.554 1.849 ( -0.088 0.000 -1.064) 1.068 1.910 ( 4.407 0.000 1.504) 4.657 1.990 ( -0.442 0.000 -0.378) 0.581 2.037 ( -3.921 0.000 -2.088) 4.442 2.163 ( 0.272 0.000 0.136) 0.304 2.413 ( 0.709 0.000 0.199) 0.736 2.518 ( -1.436 0.000 -1.597) 2.148 2.719 ( -0.098 0.000 0.872) 0.878 2.727 ( -0.239 0.000 -1.384) 1.405 4.288 ( 0.060 0.000 -0.054) 0.081 4.470 ( -1.181 0.000 -0.184) 1.196 4.473 ( 0.045 0.000 0.386) 0.388 4.701 ( -0.120 0.000 0.103) 0.159 7.400 ( -0.088 0.000 0.355) 0.366 7.447 ( -0.102 0.000 -0.156) 0.186 9.968 ( -0.158 0.000 0.260) 0.304 10.046 ( -0.246 0.000 -0.480) 0.539 21.332 ( 1.879 0.000 0.098) 1.882 21.366 ( 1.714 0.000 -0.610) 1.819 21.455 ( -0.879 0.000 0.791) 1.182 21.491 ( -1.465 0.000 0.852) 1.694 ======================= Grid point 9 (6/111) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.118 ( 0.000 6.477 0.000) 6.477 0.210 ( 0.000 10.122 0.000) 10.122 0.327 ( 0.000 14.577 0.000) 14.577 0.495 ( 0.000 -1.312 0.000) 1.312 0.676 ( 0.000 -4.060 0.000) 4.060 0.778 ( 0.000 1.423 0.000) 1.423 0.780 ( 0.000 0.408 0.000) 0.408 0.898 ( 0.000 -1.114 0.000) 1.114 0.931 ( 0.000 -0.352 0.000) 0.352 1.051 ( 0.000 4.615 0.000) 4.615 1.105 ( 0.000 -1.776 0.000) 1.776 1.238 ( 0.000 -0.571 0.000) 0.571 1.253 ( 0.000 -0.345 0.000) 0.345 1.319 ( 0.000 -1.830 0.000) 1.830 1.328 ( 0.000 0.955 0.000) 0.955 1.340 ( 0.000 -0.159 0.000) 0.159 1.534 ( 0.000 -0.414 0.000) 0.414 1.617 ( 0.000 -3.332 0.000) 3.332 1.676 ( 0.000 0.587 0.000) 0.587 1.761 ( 0.000 -1.395 0.000) 1.395 1.862 ( 0.000 -0.685 0.000) 0.685 1.884 ( 0.000 -0.855 0.000) 0.855 1.925 ( 0.000 -0.404 0.000) 0.404 2.064 ( 0.000 -1.616 0.000) 1.616 2.101 ( 0.000 -1.382 0.000) 1.382 2.304 ( 0.000 -6.186 0.000) 6.186 2.339 ( 0.000 7.186 0.000) 7.186 2.476 ( 0.000 2.466 0.000) 2.466 2.671 ( 0.000 3.602 0.000) 3.602 2.826 ( 0.000 -0.115 0.000) 0.115 4.333 ( 0.000 2.871 0.000) 2.871 4.485 ( 0.000 -0.385 0.000) 0.385 4.545 ( 0.000 0.991 0.000) 0.991 4.686 ( 0.000 -2.517 0.000) 2.517 7.413 ( 0.000 0.319 0.000) 0.319 7.453 ( 0.000 -0.635 0.000) 0.635 10.000 ( 0.000 1.179 0.000) 1.179 10.083 ( 0.000 -0.743 0.000) 0.743 21.088 ( 0.000 0.169 0.000) 0.169 21.211 ( 0.000 -2.884 0.000) 2.884 21.588 ( 0.000 2.678 0.000) 2.678 21.652 ( 0.000 1.370 0.000) 1.370 ======================= Grid point 10 (7/111) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.095 ( -5.062 6.762 -4.527) 9.583 0.180 ( 6.166 2.621 -5.520) 8.681 0.434 ( 4.941 10.022 3.652) 11.755 0.502 ( 2.018 0.161 -0.195) 2.033 0.683 ( 1.008 -3.288 -0.543) 3.481 0.739 ( -3.599 -0.250 -1.808) 4.036 0.767 ( -1.492 -0.361 -0.272) 1.560 0.874 ( 0.888 -2.134 -0.786) 2.442 0.915 ( -0.044 0.423 -1.822) 1.871 1.037 ( -0.625 4.282 0.522) 4.359 1.130 ( -0.833 -2.900 1.500) 3.370 1.199 ( -3.426 -0.185 0.267) 3.441 1.232 ( -2.634 -0.344 -0.547) 2.712 1.308 ( 1.516 1.687 1.874) 2.943 1.328 ( -0.443 -1.549 0.287) 1.637 1.370 ( 0.384 1.059 3.863) 4.024 1.561 ( 2.068 -1.492 2.602) 3.643 1.610 ( -1.091 -3.196 1.189) 3.580 1.675 ( 0.097 0.710 -2.288) 2.398 1.752 ( 0.232 -2.114 -3.055) 3.722 1.782 ( -3.334 2.573 1.821) 4.588 1.868 ( 0.657 -1.154 -1.510) 2.011 1.965 ( -0.505 3.515 0.017) 3.552 2.060 ( -0.283 -2.313 0.271) 2.346 2.074 ( -1.430 -1.394 -3.013) 3.615 2.235 ( -1.989 -0.673 -1.934) 2.854 2.391 ( 1.395 2.166 1.137) 2.816 2.577 ( 3.787 -2.273 -1.149) 4.563 2.694 ( 1.421 0.457 -0.465) 1.564 2.813 ( -1.200 0.056 0.091) 1.205 4.346 ( -0.317 3.969 0.063) 3.982 4.438 ( -0.101 1.847 0.510) 1.919 4.602 ( 0.392 -3.320 1.292) 3.583 4.689 ( 0.107 -2.891 0.612) 2.957 7.412 ( -0.133 0.275 0.137) 0.334 7.452 ( -0.158 -0.653 0.287) 0.730 9.997 ( -0.387 1.070 0.347) 1.190 10.078 ( -0.354 -0.861 -1.338) 1.630 21.113 ( 2.630 0.394 0.058) 2.660 21.257 ( 2.993 -0.552 1.181) 3.265 21.510 ( -4.794 2.878 4.965) 7.478 21.632 ( -1.970 0.833 -0.049) 2.139 ======================= Grid point 11 (8/111) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.155 ( 8.733 -5.021 1.988) 10.268 0.333 ( 9.043 -0.336 -2.561) 9.405 0.476 ( 0.484 0.818 2.244) 2.437 0.593 ( 4.097 2.494 -1.295) 4.968 0.666 ( -2.442 -1.845 -1.028) 3.228 0.716 ( 1.335 -2.558 -0.361) 2.908 0.751 ( 1.794 1.043 -1.502) 2.562 0.910 ( 1.669 -0.292 0.400) 1.741 0.926 ( 1.783 -0.580 -2.307) 2.973 1.010 ( -1.905 2.534 0.309) 3.185 1.097 ( -2.105 -0.600 0.652) 2.284 1.130 ( -3.593 -0.375 1.186) 3.803 1.163 ( -3.860 -0.455 0.234) 3.894 1.293 ( -2.319 -0.599 1.385) 2.767 1.346 ( -0.137 1.426 1.916) 2.392 1.392 ( 1.749 1.078 3.284) 3.873 1.588 ( -1.079 -3.584 2.624) 4.571 1.607 ( 1.213 -2.141 2.968) 3.855 1.662 ( -0.862 1.103 -1.393) 1.976 1.738 ( -1.343 1.422 -0.299) 1.978 1.775 ( 2.077 -1.001 -3.443) 4.144 1.877 ( 0.396 -1.086 -1.220) 1.681 1.927 ( -2.549 4.097 -0.170) 4.828 2.036 ( -1.497 -1.466 -2.686) 3.407 2.054 ( -0.477 -3.130 0.367) 3.187 2.205 ( -0.842 -0.552 -0.348) 1.065 2.416 ( 1.017 3.793 0.048) 3.927 2.614 ( 1.045 0.472 -3.316) 3.509 2.693 ( -1.423 -1.808 -0.346) 2.327 2.784 ( -1.373 0.403 -0.684) 1.586 4.330 ( -0.677 4.222 -0.107) 4.277 4.458 ( 0.903 0.706 0.915) 1.467 4.577 ( -2.271 -0.871 0.319) 2.453 4.685 ( -0.559 -3.070 0.446) 3.153 7.408 ( -0.256 0.281 0.444) 0.584 7.448 ( -0.219 -0.690 0.143) 0.738 9.987 ( -0.595 0.794 0.519) 1.120 10.063 ( -0.693 -0.995 -1.500) 1.929 21.186 ( 4.193 0.615 0.698) 4.294 21.314 ( 2.501 3.217 -0.298) 4.085 21.456 ( -1.922 -1.908 4.146) 4.952 21.580 ( -2.864 -0.172 0.130) 2.872 ======================= Grid point 12 (9/111) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 8.700 -2.925 2.024) 9.399 0.491 ( 2.283 3.976 2.206) 5.088 0.515 ( 6.987 -3.711 -2.083) 8.181 0.607 ( -0.971 0.063 -1.753) 2.005 0.639 ( -0.238 -1.731 -0.365) 1.785 0.752 ( 2.759 -2.944 -0.606) 4.080 0.823 ( 3.382 2.634 -1.102) 4.426 0.926 ( -0.897 0.140 -1.334) 1.614 0.954 ( 0.490 0.256 -1.857) 1.937 0.981 ( -0.336 0.339 -0.546) 0.725 1.041 ( -3.466 2.019 2.139) 4.546 1.079 ( -1.784 -2.689 2.040) 3.818 1.096 ( -1.614 0.940 0.373) 1.905 1.240 ( -2.909 -0.745 1.019) 3.171 1.330 ( -1.262 1.434 1.693) 2.553 1.435 ( 1.180 0.271 2.198) 2.509 1.574 ( -0.948 -2.267 2.870) 3.778 1.626 ( 0.173 -1.596 1.099) 1.946 1.649 ( 0.086 1.370 1.063) 1.736 1.716 ( -0.729 0.887 -1.289) 1.726 1.812 ( 2.061 -0.993 -2.037) 3.063 1.860 ( -2.169 -2.272 -0.532) 3.186 1.893 ( -0.126 3.668 -0.414) 3.693 2.005 ( -0.928 -1.477 -2.642) 3.166 2.036 ( -1.357 -2.115 0.055) 2.514 2.199 ( 0.133 0.524 0.927) 1.073 2.436 ( 1.087 4.172 -0.471) 4.337 2.599 ( -1.972 2.980 -3.742) 5.174 2.664 ( -0.434 -3.959 0.371) 4.000 2.755 ( -1.413 -0.110 -1.307) 1.928 4.322 ( -0.124 3.518 -0.201) 3.526 4.468 ( 0.063 0.192 0.363) 0.416 4.529 ( -2.296 1.041 0.409) 2.554 4.675 ( -0.411 -3.030 0.261) 3.069 7.404 ( -0.231 0.282 0.607) 0.708 7.444 ( -0.214 -0.682 -0.112) 0.724 9.977 ( -0.526 0.478 0.437) 0.835 10.045 ( -0.671 -1.130 -1.147) 1.744 21.272 ( 3.789 0.574 0.787) 3.913 21.357 ( 1.800 3.442 -1.105) 4.039 21.440 ( -0.655 -3.181 2.505) 4.102 21.525 ( -2.561 -0.788 0.481) 2.723 ======================= Grid point 13 (10/111) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 4.646 -2.156 1.131) 5.245 0.516 ( 0.517 1.541 0.435) 1.682 0.560 ( -0.918 0.238 -1.611) 1.869 0.638 ( 0.753 -0.799 0.403) 1.170 0.690 ( 6.500 -0.899 -0.518) 6.582 0.785 ( -0.869 -1.362 0.490) 1.688 0.839 ( -1.959 -0.434 -1.834) 2.719 0.879 ( -0.714 3.416 0.479) 3.523 0.941 ( -1.120 2.655 -0.784) 2.986 0.969 ( -0.886 -0.938 -0.850) 1.545 1.002 ( -0.426 -1.079 1.175) 1.651 1.058 ( -0.338 -1.736 0.720) 1.910 1.110 ( 1.136 1.512 0.208) 1.903 1.194 ( -1.394 -0.914 0.229) 1.683 1.316 ( -0.334 0.161 0.721) 0.810 1.447 ( -0.049 -0.578 0.739) 0.939 1.569 ( -0.134 -0.524 2.152) 2.219 1.628 ( 0.088 -1.350 -0.128) 1.359 1.659 ( 0.227 1.857 0.291) 1.893 1.702 ( -0.300 0.541 -0.577) 0.846 1.808 ( -1.581 -1.745 -0.080) 2.356 1.846 ( 0.678 -0.605 -0.674) 1.131 1.909 ( 1.438 -0.176 0.327) 1.485 1.982 ( -0.972 -2.733 -1.695) 3.360 2.011 ( -0.746 1.511 0.236) 1.701 2.205 ( 0.118 2.082 0.507) 2.146 2.454 ( 0.582 3.702 -0.256) 3.757 2.547 ( -1.644 2.674 -1.208) 3.363 2.674 ( 1.010 -3.676 -0.115) 3.814 2.721 ( -1.470 -0.928 -0.769) 1.901 4.321 ( -0.021 3.146 -0.106) 3.148 4.472 ( 0.489 0.355 -0.397) 0.723 4.491 ( -1.521 1.391 0.653) 2.162 4.670 ( -0.093 -2.951 0.113) 2.955 7.402 ( -0.087 0.268 0.303) 0.414 7.440 ( -0.094 -0.653 -0.110) 0.669 9.970 ( -0.208 0.271 0.167) 0.381 10.033 ( -0.278 -1.212 -0.428) 1.315 21.333 ( 1.792 0.195 0.450) 1.858 21.379 ( 0.539 0.982 -0.756) 1.352 21.438 ( -0.028 -1.375 0.684) 1.536 21.485 ( -1.283 -0.660 0.485) 1.523 ======================= Grid point 18 (11/111) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 7.328 0.000) 7.328 0.387 ( 0.000 7.801 0.000) 7.801 0.389 ( 0.000 -5.628 0.000) 5.628 0.506 ( 0.000 -3.155 0.000) 3.155 0.690 ( 0.000 7.705 0.000) 7.705 0.781 ( 0.000 -0.968 0.000) 0.968 0.816 ( 0.000 2.125 0.000) 2.125 0.863 ( 0.000 -2.494 0.000) 2.494 0.942 ( 0.000 2.320 0.000) 2.320 1.034 ( 0.000 -5.556 0.000) 5.556 1.148 ( 0.000 4.654 0.000) 4.654 1.221 ( 0.000 -2.888 0.000) 2.888 1.237 ( 0.000 0.757 0.000) 0.757 1.273 ( 0.000 -2.536 0.000) 2.536 1.341 ( 0.000 0.375 0.000) 0.375 1.343 ( 0.000 0.373 0.000) 0.373 1.529 ( 0.000 0.147 0.000) 0.147 1.552 ( 0.000 -2.438 0.000) 2.438 1.695 ( 0.000 1.391 0.000) 1.391 1.728 ( 0.000 -1.826 0.000) 1.826 1.850 ( 0.000 0.251 0.000) 0.251 1.865 ( 0.000 -0.965 0.000) 0.965 1.967 ( 0.000 3.236 0.000) 3.236 2.023 ( 0.000 -2.424 0.000) 2.424 2.096 ( 0.000 1.594 0.000) 1.594 2.177 ( 0.000 -6.156 0.000) 6.156 2.456 ( 0.000 4.258 0.000) 4.258 2.500 ( 0.000 -0.306 0.000) 0.306 2.751 ( 0.000 3.931 0.000) 3.931 2.809 ( 0.000 -1.846 0.000) 1.846 4.403 ( 0.000 3.804 0.000) 3.804 4.464 ( 0.000 -2.069 0.000) 2.069 4.574 ( 0.000 2.052 0.000) 2.052 4.626 ( 0.000 -3.190 0.000) 3.190 7.422 ( 0.000 0.664 0.000) 0.664 7.438 ( 0.000 -0.857 0.000) 0.857 10.030 ( 0.000 1.686 0.000) 1.686 10.061 ( 0.000 -1.417 0.000) 1.417 21.103 ( 0.000 1.555 0.000) 1.555 21.149 ( 0.000 -3.030 0.000) 3.030 21.643 ( 0.000 2.389 0.000) 2.389 21.668 ( 0.000 -0.091 0.000) 0.091 ======================= Grid point 19 (12/111) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( -5.310 4.791 -5.343) 8.928 0.249 ( -3.018 2.355 -7.219) 8.171 0.482 ( 1.854 -0.635 0.271) 1.979 0.507 ( 1.165 -2.974 2.161) 3.857 0.727 ( 3.199 7.710 -0.931) 8.399 0.749 ( -3.399 0.839 -2.324) 4.203 0.761 ( -4.106 -0.241 -1.622) 4.421 0.840 ( 1.543 -2.700 -0.994) 3.265 0.943 ( -0.060 2.707 -0.643) 2.783 1.027 ( -1.285 -4.922 1.134) 5.212 1.140 ( -1.349 3.039 -0.175) 3.330 1.188 ( -2.557 -1.765 0.510) 3.148 1.229 ( -1.210 1.574 -0.678) 2.098 1.282 ( -0.056 -2.897 0.124) 2.900 1.347 ( 1.406 2.016 2.721) 3.667 1.375 ( 1.398 -0.594 3.937) 4.220 1.535 ( 0.238 -0.756 2.535) 2.656 1.550 ( -0.465 -2.246 2.015) 3.053 1.689 ( 0.027 0.830 -2.009) 2.174 1.713 ( -0.004 -1.685 -2.792) 3.261 1.823 ( -2.320 1.715 0.738) 2.978 1.848 ( -0.874 -0.890 0.073) 1.250 1.987 ( 0.666 0.550 -1.689) 1.897 2.012 ( -0.919 -1.873 -0.829) 2.245 2.094 ( -0.185 2.622 -1.576) 3.065 2.170 ( -0.380 -4.625 -2.143) 5.111 2.473 ( 1.430 4.443 1.016) 4.777 2.536 ( 2.611 -2.140 -0.024) 3.376 2.747 ( -0.489 3.400 -0.391) 3.457 2.799 ( -0.932 -1.672 -0.209) 1.925 4.421 ( 0.969 3.375 0.480) 3.544 4.460 ( -0.171 -0.226 0.898) 0.942 4.575 ( -0.066 0.679 -0.036) 0.683 4.622 ( -0.429 -3.515 0.084) 3.542 7.421 ( -0.156 0.657 0.178) 0.699 7.436 ( -0.173 -0.851 0.259) 0.907 10.024 ( -0.540 1.597 -0.104) 1.689 10.055 ( -0.546 -1.443 -0.629) 1.666 21.137 ( 3.112 2.200 0.896) 3.915 21.198 ( 3.907 -3.785 2.075) 5.822 21.588 ( -4.493 3.685 -0.267) 5.816 21.634 ( -3.017 -0.939 -0.679) 3.232 ======================= Grid point 20 (13/111) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.142 ( 5.944 5.238 -9.061) 12.037 0.272 ( 5.976 -5.928 -6.532) 10.654 0.504 ( 1.900 1.998 0.063) 2.758 0.558 ( 2.947 -3.417 -1.950) 4.916 0.674 ( -2.710 1.311 -0.729) 3.097 0.691 ( -1.773 -0.725 -0.770) 2.064 0.815 ( 4.161 4.830 -1.450) 6.538 0.893 ( 2.973 -2.342 -1.447) 4.052 0.940 ( 0.314 2.119 -0.590) 2.222 0.996 ( -1.425 -3.182 1.192) 3.685 1.091 ( -3.002 1.204 0.507) 3.274 1.131 ( -3.180 -2.158 0.700) 3.907 1.186 ( -2.987 3.821 0.502) 4.876 1.254 ( -2.529 -2.900 0.838) 3.938 1.387 ( 0.790 2.064 2.984) 3.714 1.408 ( 1.097 0.111 3.379) 3.554 1.542 ( -0.012 -0.647 3.655) 3.711 1.562 ( 0.823 -2.198 3.883) 4.538 1.687 ( 0.043 1.595 -2.522) 2.985 1.727 ( 1.236 -2.247 -3.551) 4.380 1.784 ( -0.983 1.860 -0.496) 2.162 1.828 ( -0.897 -2.678 -0.298) 2.840 1.972 ( -1.635 0.494 -1.011) 1.985 1.987 ( -1.174 -1.468 -1.784) 2.591 2.083 ( -0.428 3.536 -0.660) 3.622 2.157 ( -0.297 -3.636 -0.693) 3.713 2.505 ( 1.278 4.512 0.033) 4.689 2.578 ( 1.451 -3.044 -1.054) 3.533 2.721 ( -1.899 3.041 -1.315) 3.819 2.772 ( -1.599 -1.720 -1.085) 2.587 4.422 ( -0.635 4.370 -0.165) 4.419 4.468 ( 0.288 -0.251 0.629) 0.736 4.568 ( -0.687 0.363 0.588) 0.974 4.611 ( -0.636 -3.838 0.318) 3.904 7.417 ( -0.250 0.643 0.338) 0.768 7.432 ( -0.249 -0.856 0.255) 0.927 10.009 ( -0.837 1.364 -0.150) 1.607 10.038 ( -0.875 -1.478 -0.880) 1.930 21.219 ( 4.239 2.774 1.540) 5.295 21.290 ( 4.179 -4.017 2.305) 6.238 21.495 ( -3.997 4.167 -0.705) 5.817 21.560 ( -3.642 -2.125 -0.958) 4.325 ======================= Grid point 21 (14/111) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 9.570 1.620 -2.663) 10.065 0.406 ( 6.946 -6.125 -4.281) 10.203 0.569 ( 3.981 2.521 -1.883) 5.074 0.598 ( 1.306 -0.935 -2.903) 3.317 0.640 ( -0.485 2.125 1.746) 2.793 0.694 ( 2.439 -2.929 0.489) 3.843 0.864 ( 0.898 2.346 -1.654) 3.008 0.922 ( 0.316 -2.796 -1.595) 3.235 0.965 ( 1.337 2.214 -0.268) 2.600 0.995 ( 0.980 -0.168 -0.020) 0.994 1.028 ( -3.576 0.149 2.151) 4.175 1.073 ( -2.490 -1.753 1.376) 3.342 1.124 ( -2.316 3.602 0.332) 4.295 1.196 ( -3.033 -3.281 0.777) 4.536 1.380 ( -1.693 3.035 1.935) 3.977 1.427 ( -0.278 -1.408 1.902) 2.383 1.556 ( 0.457 0.656 3.503) 3.593 1.588 ( 0.814 -2.157 2.857) 3.672 1.684 ( 0.399 2.255 -0.003) 2.290 1.725 ( -0.401 -0.833 -0.853) 1.258 1.787 ( 0.763 -0.494 -2.819) 2.962 1.811 ( -0.637 -2.171 -1.358) 2.639 1.934 ( -1.564 0.907 -0.597) 1.904 1.956 ( -1.323 -1.758 -1.392) 2.604 2.080 ( 0.168 4.329 0.213) 4.337 2.165 ( 1.058 -3.656 0.927) 3.917 2.523 ( 0.621 4.032 -0.489) 4.108 2.591 ( 0.131 -3.284 -0.539) 3.331 2.669 ( -2.478 3.679 -2.413) 5.050 2.730 ( -2.068 -2.318 -1.781) 3.581 4.408 ( -0.572 4.562 -0.418) 4.617 4.467 ( -0.255 -1.021 -0.216) 1.075 4.550 ( -1.201 1.372 1.014) 2.087 4.601 ( -0.364 -3.840 0.453) 3.884 7.413 ( -0.224 0.620 0.371) 0.756 7.428 ( -0.218 -0.849 0.106) 0.883 9.992 ( -0.746 1.089 -0.129) 1.327 10.018 ( -0.799 -1.490 -0.724) 1.840 21.301 ( 3.114 2.390 1.488) 4.198 21.363 ( 2.081 -3.740 2.055) 4.748 21.435 ( -1.447 3.642 -1.367) 4.150 21.495 ( -2.357 -2.304 -0.814) 3.395 ======================= Grid point 22 (15/111) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 4.070 -0.133 -0.723) 4.136 0.492 ( 2.100 -2.738 -2.461) 4.238 0.587 ( -0.044 1.519 -0.376) 1.565 0.616 ( 0.179 -1.454 0.015) 1.465 0.709 ( 5.328 2.656 0.066) 5.953 0.755 ( 1.795 -1.834 0.310) 2.585 0.854 ( -1.358 2.596 -0.718) 3.017 0.923 ( 0.513 -2.209 -1.078) 2.511 0.944 ( -1.442 0.747 -0.772) 1.798 0.963 ( -3.176 -1.464 2.818) 4.491 1.019 ( 0.365 3.328 -0.855) 3.455 1.046 ( -0.111 0.539 0.813) 0.982 1.116 ( 0.539 -0.321 -0.188) 0.655 1.148 ( -1.533 -3.164 0.371) 3.536 1.349 ( -1.118 2.921 0.521) 3.171 1.411 ( -0.916 -2.947 0.366) 3.107 1.576 ( 0.593 1.185 2.108) 2.490 1.603 ( 0.170 -1.337 0.844) 1.590 1.700 ( 0.652 2.012 1.218) 2.441 1.716 ( -0.363 0.616 -0.731) 1.022 1.777 ( -0.749 -0.681 -0.593) 1.173 1.808 ( 0.400 -2.903 -1.546) 3.313 1.912 ( -0.542 0.579 -0.334) 0.861 1.934 ( -0.542 -1.767 -0.372) 1.886 2.087 ( 0.312 5.649 0.169) 5.660 2.192 ( 0.913 -3.778 0.678) 3.946 2.531 ( 0.251 3.532 -0.175) 3.546 2.584 ( -0.663 -1.385 0.375) 1.581 2.631 ( -0.401 1.867 -1.656) 2.527 2.687 ( -1.508 -2.574 -1.110) 3.183 4.399 ( -0.232 4.271 -0.195) 4.281 4.463 ( -0.064 -1.801 -0.318) 1.830 4.531 ( -0.688 2.730 0.562) 2.870 4.598 ( -0.089 -3.987 0.228) 3.995 7.411 ( -0.087 0.592 0.169) 0.622 7.425 ( -0.088 -0.823 0.012) 0.828 9.981 ( -0.297 0.905 -0.051) 0.954 10.005 ( -0.322 -1.486 -0.277) 1.546 21.345 ( 1.024 1.135 0.730) 1.695 21.375 ( -0.417 -1.571 0.454) 1.687 21.434 ( 0.688 1.323 -0.489) 1.570 21.464 ( -0.636 -1.424 -0.258) 1.581 ======================= Grid point 45 (16/111) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.137 ( 0.608 0.000 7.181) 7.206 0.140 ( 4.864 0.000 7.973) 9.339 0.454 ( -3.964 0.000 22.792) 23.134 0.570 ( 0.457 0.000 4.743) 4.765 0.745 ( -1.985 0.000 3.687) 4.188 0.790 ( 0.426 0.000 1.697) 1.750 0.805 ( -0.255 0.000 2.182) 2.197 0.917 ( -1.364 0.000 0.765) 1.564 0.949 ( -2.401 0.000 0.963) 2.587 1.020 ( -0.633 0.000 2.579) 2.655 1.177 ( 4.584 0.000 -0.026) 4.584 1.216 ( -0.885 0.000 -0.306) 0.937 1.266 ( 0.314 0.000 2.254) 2.276 1.299 ( 1.143 0.000 2.885) 3.103 1.329 ( 0.853 0.000 -0.874) 1.221 1.345 ( 1.990 0.000 2.209) 2.973 1.560 ( 1.371 0.000 2.145) 2.546 1.692 ( 0.651 0.000 2.770) 2.846 1.714 ( -2.672 0.000 2.955) 3.984 1.755 ( 2.306 0.000 1.654) 2.838 1.853 ( -1.903 0.000 7.190) 7.438 1.908 ( -1.142 0.000 1.395) 1.803 1.958 ( -1.539 0.000 1.079) 1.880 2.104 ( 0.554 0.000 1.304) 1.417 2.113 ( -2.022 0.000 3.035) 3.647 2.234 ( -0.603 0.000 0.068) 0.607 2.397 ( -1.088 0.000 0.234) 1.113 2.583 ( -1.546 0.000 -0.257) 1.567 2.820 ( 0.691 0.000 -0.478) 0.841 2.962 ( -10.142 0.000 -2.101) 10.357 4.311 ( 0.251 0.000 0.763) 0.803 4.402 ( 0.418 0.000 1.329) 1.393 4.567 ( 8.433 0.000 -1.327) 8.537 4.716 ( 0.082 0.000 0.303) 0.314 7.412 ( 0.004 0.000 0.245) 0.245 7.461 ( 0.223 0.000 0.150) 0.269 9.988 ( 0.134 0.000 -0.030) 0.137 10.224 ( -5.744 0.000 -0.517) 5.767 21.079 ( 0.850 0.000 -0.946) 1.272 21.169 ( 0.278 0.000 -2.291) 2.308 21.400 ( 19.522 0.000 -1.819) 19.607 21.593 ( 0.836 0.000 -4.127) 4.211 ======================= Grid point 46 (17/111) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 6.387 0.000 5.716) 8.571 0.277 ( 6.267 0.000 6.677) 9.158 0.478 ( 1.847 0.000 19.531) 19.618 0.596 ( 0.683 0.000 7.044) 7.077 0.700 ( -2.555 0.000 1.243) 2.841 0.778 ( -2.452 0.000 -0.299) 2.470 0.796 ( -0.996 0.000 2.633) 2.815 0.903 ( 0.033 0.000 -0.564) 0.565 0.924 ( 0.135 0.000 0.083) 0.158 1.007 ( -1.335 0.000 2.726) 3.036 1.206 ( -0.696 0.000 1.164) 1.356 1.222 ( -0.057 0.000 -1.429) 1.430 1.234 ( -3.224 0.000 2.657) 4.178 1.320 ( 0.271 0.000 1.287) 1.316 1.356 ( 1.161 0.000 1.440) 1.849 1.392 ( 2.107 0.000 3.432) 4.028 1.622 ( 3.551 0.000 1.679) 3.928 1.665 ( -2.419 0.000 2.846) 3.735 1.687 ( -1.045 0.000 2.847) 3.033 1.798 ( 1.200 0.000 1.420) 1.859 1.825 ( -3.411 0.000 2.547) 4.257 1.825 ( -2.399 0.000 7.875) 8.233 1.991 ( -0.493 0.000 5.945) 5.965 2.081 ( -0.716 0.000 0.733) 1.025 2.129 ( 1.035 0.000 0.676) 1.236 2.204 ( -2.180 0.000 -0.483) 2.233 2.369 ( -1.173 0.000 -1.092) 1.603 2.556 ( -0.960 0.000 -1.803) 2.043 2.762 ( -5.797 0.000 1.134) 5.907 2.818 ( -0.754 0.000 0.529) 0.921 4.304 ( -0.789 0.000 0.907) 1.203 4.436 ( 2.048 0.000 1.551) 2.569 4.634 ( -1.460 0.000 -3.146) 3.468 4.724 ( 0.352 0.000 -0.548) 0.651 7.415 ( 0.141 0.000 0.381) 0.406 7.464 ( -0.117 0.000 0.273) 0.297 9.988 ( 0.010 0.000 -0.084) 0.085 10.111 ( -3.569 0.000 2.369) 4.284 21.112 ( 2.751 0.000 -0.758) 2.854 21.185 ( 1.773 0.000 -2.483) 3.051 21.565 ( 0.246 0.000 -3.920) 3.928 21.586 ( -0.580 0.000 -3.701) 3.747 ======================= Grid point 47 (18/111) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 5.448 0.000 7.223) 9.047 0.416 ( 5.788 0.000 5.949) 8.300 0.600 ( 4.171 0.000 10.983) 11.749 0.614 ( -1.214 0.000 7.937) 8.029 0.679 ( 0.793 0.000 0.283) 0.842 0.713 ( -1.852 0.000 -2.055) 2.767 0.791 ( 0.294 0.000 2.825) 2.840 0.914 ( 1.182 0.000 -1.635) 2.018 0.941 ( 0.707 0.000 0.516) 0.875 0.982 ( -1.407 0.000 3.826) 4.076 1.152 ( -4.111 0.000 4.396) 6.018 1.177 ( -2.670 0.000 2.487) 3.649 1.217 ( -1.321 0.000 1.570) 2.052 1.310 ( -1.398 0.000 0.273) 1.425 1.368 ( -0.613 0.000 2.963) 3.026 1.446 ( 2.036 0.000 3.933) 4.428 1.640 ( -0.586 0.000 2.207) 2.284 1.666 ( -0.656 0.000 0.100) 0.664 1.681 ( -0.063 0.000 2.195) 2.196 1.794 ( -1.958 0.000 6.531) 6.819 1.799 ( 0.538 0.000 2.476) 2.534 1.819 ( 0.361 0.000 3.314) 3.333 1.960 ( -3.103 0.000 4.601) 5.550 2.061 ( -1.904 0.000 2.249) 2.947 2.151 ( -2.738 0.000 -0.724) 2.832 2.152 ( 0.898 0.000 0.533) 1.044 2.363 ( 1.118 0.000 -0.638) 1.287 2.529 ( -1.157 0.000 -3.105) 3.313 2.693 ( -1.693 0.000 -2.734) 3.216 2.798 ( -1.424 0.000 1.912) 2.384 4.292 ( -0.496 0.000 0.597) 0.776 4.475 ( 1.241 0.000 1.508) 1.953 4.571 ( -3.475 0.000 -1.647) 3.845 4.720 ( -0.496 0.000 -0.123) 0.511 7.418 ( 0.022 0.000 0.753) 0.754 7.458 ( -0.517 0.000 0.075) 0.522 9.987 ( -0.090 0.000 -0.048) 0.102 10.067 ( -1.593 0.000 0.972) 1.866 21.181 ( 3.980 0.000 -1.169) 4.148 21.224 ( 2.689 0.000 -2.994) 4.024 21.529 ( -2.150 0.000 -1.572) 2.664 21.556 ( -1.450 0.000 -3.180) 3.495 ======================= Grid point 48 (19/111) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 4.245 0.000 4.082) 5.889 0.526 ( 2.793 0.000 5.970) 6.592 0.607 ( -1.231 0.000 3.648) 3.850 0.614 ( 1.191 0.000 1.871) 2.218 0.706 ( 0.880 0.000 4.204) 4.295 0.762 ( 2.895 0.000 3.021) 4.184 0.824 ( 1.828 0.000 2.441) 3.050 0.933 ( 0.948 0.000 -2.606) 2.773 0.934 ( -0.860 0.000 0.766) 1.152 0.979 ( -1.008 0.000 5.149) 5.247 1.107 ( -0.919 0.000 4.783) 4.870 1.117 ( -3.454 0.000 3.187) 4.700 1.183 ( -2.691 0.000 4.735) 5.447 1.272 ( -2.236 0.000 1.677) 2.795 1.352 ( -1.319 0.000 2.280) 2.634 1.475 ( -0.221 0.000 3.540) 3.547 1.631 ( -2.336 0.000 -0.961) 2.526 1.644 ( 0.217 0.000 1.665) 1.679 1.669 ( -0.987 0.000 2.323) 2.524 1.772 ( -1.717 0.000 5.504) 5.766 1.836 ( 1.664 0.000 2.223) 2.777 1.857 ( 2.945 0.000 2.571) 3.909 1.902 ( -3.370 0.000 2.933) 4.467 2.026 ( -1.662 0.000 2.715) 3.183 2.093 ( -2.882 0.000 0.680) 2.961 2.165 ( 0.348 0.000 0.504) 0.613 2.401 ( 1.907 0.000 1.333) 2.327 2.495 ( -1.198 0.000 -3.188) 3.406 2.671 ( 0.401 0.000 -3.898) 3.919 2.774 ( -1.373 0.000 2.647) 2.981 4.286 ( -0.207 0.000 -0.004) 0.207 4.492 ( 0.108 0.000 1.442) 1.446 4.502 ( -2.710 0.000 -0.934) 2.866 4.710 ( -0.432 0.000 0.159) 0.460 7.416 ( -0.475 0.000 0.739) 0.879 7.449 ( -0.236 0.000 -0.037) 0.238 9.983 ( -0.365 0.000 0.332) 0.493 10.046 ( -0.635 0.000 0.246) 0.681 21.258 ( 3.718 0.000 -1.700) 4.088 21.275 ( 2.983 0.000 -3.549) 4.636 21.481 ( -2.093 0.000 -1.814) 2.770 21.515 ( -1.900 0.000 -2.894) 3.462 ======================= Grid point 49 (20/111) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.317 0.000 -0.191) 0.370 0.543 ( -1.209 0.000 3.100) 3.327 0.656 ( 2.000 0.000 8.601) 8.831 0.666 ( 1.660 0.000 2.268) 2.811 0.738 ( 1.405 0.000 1.930) 2.387 0.785 ( 0.057 0.000 -0.851) 0.853 0.828 ( -2.821 0.000 1.337) 3.122 0.922 ( -0.553 0.000 3.967) 4.005 0.950 ( 2.122 0.000 -0.376) 2.155 0.973 ( -0.363 0.000 7.434) 7.442 1.073 ( -1.525 0.000 3.062) 3.421 1.112 ( -1.027 0.000 3.102) 3.268 1.143 ( -1.779 0.000 5.357) 5.645 1.245 ( -0.923 0.000 4.103) 4.206 1.329 ( -1.341 0.000 0.187) 1.354 1.458 ( -1.870 0.000 1.406) 2.340 1.574 ( -2.583 0.000 -1.552) 3.014 1.646 ( -0.463 0.000 1.252) 1.335 1.673 ( 0.607 0.000 2.659) 2.728 1.750 ( -1.333 0.000 3.150) 3.420 1.844 ( -1.672 0.000 2.042) 2.639 1.870 ( 0.447 0.000 2.686) 2.723 1.931 ( 2.563 0.000 1.252) 2.852 2.014 ( -0.270 0.000 3.164) 3.175 2.049 ( -1.224 0.000 4.225) 4.399 2.171 ( 0.098 0.000 0.624) 0.631 2.427 ( 0.131 0.000 1.266) 1.273 2.483 ( 0.982 0.000 -1.680) 1.946 2.692 ( 2.310 0.000 -2.096) 3.119 2.754 ( -1.345 0.000 2.452) 2.797 4.284 ( 0.033 0.000 -0.429) 0.431 4.464 ( -0.761 0.000 -0.343) 0.834 4.489 ( -0.577 0.000 1.243) 1.370 4.703 ( -0.274 0.000 0.146) 0.310 7.404 ( -0.705 0.000 0.049) 0.707 7.449 ( 0.150 0.000 0.368) 0.397 9.975 ( -0.523 0.000 0.475) 0.706 10.044 ( 0.342 0.000 0.247) 0.421 21.313 ( 1.892 0.000 -2.097) 2.824 21.325 ( 2.633 0.000 -3.623) 4.479 21.436 ( -1.695 0.000 -2.582) 3.088 21.467 ( -1.975 0.000 -3.248) 3.801 ======================= Grid point 50 (21/111) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -3.224 0.000 0.934) 3.356 0.544 ( -0.919 0.000 3.331) 3.456 0.644 ( -2.775 0.000 6.069) 6.674 0.676 ( -0.855 0.000 3.683) 3.781 0.688 ( -5.599 0.000 -1.351) 5.760 0.812 ( 0.917 0.000 1.651) 1.889 0.821 ( 2.660 0.000 -0.910) 2.812 0.939 ( 0.989 0.000 4.277) 4.390 1.004 ( 1.515 0.000 8.738) 8.868 1.015 ( 3.322 0.000 2.846) 4.374 1.061 ( -0.314 0.000 2.531) 2.550 1.073 ( -3.069 0.000 1.732) 3.524 1.119 ( -2.484 0.000 4.677) 5.296 1.244 ( -0.601 0.000 4.527) 4.567 1.301 ( -0.846 0.000 -1.075) 1.368 1.417 ( -1.810 0.000 -1.771) 2.532 1.543 ( 0.207 0.000 -1.181) 1.199 1.631 ( -1.178 0.000 0.495) 1.278 1.679 ( -0.828 0.000 2.360) 2.501 1.741 ( 0.021 0.000 2.014) 2.014 1.847 ( 1.227 0.000 2.032) 2.374 1.889 ( 0.982 0.000 2.647) 2.824 1.928 ( -2.431 0.000 4.750) 5.336 2.027 ( 0.638 0.000 3.647) 3.702 2.089 ( 3.030 0.000 3.396) 4.551 2.168 ( -0.654 0.000 0.670) 0.937 2.418 ( -0.898 0.000 0.756) 1.174 2.534 ( 3.997 0.000 0.202) 4.002 2.729 ( -1.624 0.000 1.820) 2.440 2.741 ( 2.422 0.000 0.199) 2.430 4.285 ( 0.166 0.000 -0.403) 0.436 4.471 ( 1.406 0.000 -0.023) 1.406 4.477 ( -0.851 0.000 0.755) 1.138 4.700 ( -0.074 0.000 -0.009) 0.074 7.393 ( -0.281 0.000 -0.326) 0.430 7.454 ( 0.148 0.000 0.487) 0.510 9.966 ( -0.337 0.000 0.155) 0.371 10.060 ( 1.060 0.000 0.915) 1.400 21.310 ( -1.782 0.000 -2.166) 2.805 21.347 ( -0.465 0.000 -2.439) 2.483 21.409 ( -0.194 0.000 -3.780) 3.785 21.436 ( 0.706 0.000 -4.779) 4.831 ======================= Grid point 51 (22/111) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -7.042 0.000 -0.996) 7.112 0.464 ( -6.922 0.000 7.554) 10.246 0.596 ( -3.169 0.000 2.324) 3.930 0.662 ( 1.862 0.000 3.794) 4.226 0.672 ( 0.194 0.000 2.473) 2.480 0.818 ( -0.814 0.000 1.837) 2.010 0.838 ( -1.624 0.000 3.644) 3.989 0.952 ( -4.004 0.000 -0.965) 4.118 0.978 ( -0.969 0.000 3.560) 3.690 1.039 ( -1.456 0.000 3.556) 3.842 1.084 ( 1.632 0.000 0.362) 1.671 1.102 ( 1.524 0.000 8.875) 9.005 1.113 ( 3.918 0.000 3.737) 5.414 1.242 ( -0.108 0.000 1.803) 1.806 1.305 ( 1.239 0.000 -0.115) 1.244 1.377 ( -1.818 0.000 -3.241) 3.716 1.568 ( 1.862 0.000 -0.520) 1.934 1.612 ( -0.257 0.000 -0.522) 0.582 1.665 ( -0.806 0.000 1.580) 1.774 1.760 ( 1.097 0.000 2.847) 3.051 1.876 ( 1.102 0.000 1.617) 1.957 1.892 ( -2.520 0.000 8.353) 8.725 1.924 ( 1.378 0.000 3.049) 3.346 2.056 ( 1.190 0.000 4.103) 4.272 2.146 ( -1.617 0.000 0.198) 1.629 2.154 ( 2.620 0.000 1.736) 3.143 2.404 ( -0.598 0.000 1.109) 1.260 2.629 ( 4.881 0.000 0.966) 4.976 2.697 ( -1.905 0.000 1.055) 2.178 2.783 ( 1.467 0.000 1.446) 2.060 4.286 ( -0.081 0.000 -0.023) 0.084 4.460 ( -0.872 0.000 0.163) 0.887 4.516 ( 2.832 0.000 -0.292) 2.847 4.701 ( 0.213 0.000 -0.201) 0.293 7.392 ( 0.277 0.000 -0.280) 0.394 7.457 ( 0.036 0.000 0.367) 0.368 9.963 ( 0.041 0.000 -0.236) 0.240 10.089 ( 1.401 0.000 1.861) 2.329 21.245 ( -3.715 0.000 -2.262) 4.349 21.299 ( -2.942 0.000 -2.368) 3.777 21.396 ( -0.427 0.000 -5.277) 5.294 21.470 ( 3.131 0.000 -4.928) 5.839 ======================= Grid point 52 (23/111) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( -7.427 0.000 -0.811) 7.471 0.340 ( -6.978 0.000 7.635) 10.344 0.560 ( -1.350 0.000 4.042) 4.261 0.640 ( -6.839 0.000 9.387) 11.614 0.706 ( 2.452 0.000 2.598) 3.573 0.798 ( -1.342 0.000 2.415) 2.763 0.803 ( -1.010 0.000 4.855) 4.959 0.900 ( 0.686 0.000 -0.841) 1.085 0.986 ( -0.093 0.000 2.620) 2.622 1.003 ( -2.767 0.000 3.879) 4.764 1.104 ( 1.237 0.000 0.217) 1.256 1.181 ( 3.085 0.000 3.969) 5.027 1.197 ( 3.040 0.000 4.815) 5.695 1.256 ( 1.456 0.000 -0.621) 1.583 1.322 ( -2.737 0.000 -2.763) 3.889 1.333 ( 1.094 0.000 0.487) 1.198 1.595 ( 0.297 0.000 0.599) 0.668 1.630 ( 2.173 0.000 -1.080) 2.427 1.654 ( -0.366 0.000 0.223) 0.428 1.785 ( 0.052 0.000 3.964) 3.964 1.867 ( -1.811 0.000 9.064) 9.243 1.895 ( 0.179 0.000 0.225) 0.288 1.958 ( 1.246 0.000 5.621) 5.758 2.088 ( 0.583 0.000 3.317) 3.368 2.114 ( -0.825 0.000 0.036) 0.826 2.202 ( 1.740 0.000 1.078) 2.047 2.402 ( 0.037 0.000 1.413) 1.414 2.658 ( -2.084 0.000 1.221) 2.416 2.723 ( 4.079 0.000 -0.087) 4.080 2.814 ( 1.451 0.000 2.914) 3.255 4.284 ( 0.011 0.000 0.352) 0.353 4.440 ( -1.155 0.000 0.022) 1.155 4.571 ( 2.361 0.000 -1.810) 2.975 4.705 ( 0.205 0.000 -0.409) 0.458 7.401 ( 0.524 0.000 0.005) 0.524 7.457 ( 0.016 0.000 0.209) 0.210 9.967 ( 0.435 0.000 -0.373) 0.573 10.125 ( 1.733 0.000 3.170) 3.613 21.161 ( -3.748 0.000 -2.292) 4.394 21.234 ( -2.663 0.000 -2.493) 3.648 21.356 ( -2.307 0.000 -7.324) 7.679 21.525 ( 3.195 0.000 -4.605) 5.605 ======================= Grid point 53 (24/111) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.115 ( -4.731 0.000 3.403) 5.828 0.212 ( -7.131 0.000 5.209) 8.831 0.517 ( -7.124 0.000 18.270) 19.610 0.556 ( -0.175 0.000 4.174) 4.178 0.756 ( 0.430 0.000 4.331) 4.352 0.790 ( 0.624 0.000 1.671) 1.783 0.791 ( -1.047 0.000 2.570) 2.775 0.954 ( -2.637 0.000 2.734) 3.798 0.957 ( 2.892 0.000 3.582) 4.604 0.990 ( 0.636 0.000 1.436) 1.570 1.127 ( 0.619 0.000 0.928) 1.116 1.238 ( 1.879 0.000 1.851) 2.637 1.243 ( -0.491 0.000 1.561) 1.636 1.272 ( -0.360 0.000 1.530) 1.571 1.297 ( 2.399 0.000 -0.193) 2.407 1.339 ( -0.684 0.000 -0.875) 1.110 1.571 ( -2.149 0.000 0.635) 2.241 1.661 ( 0.927 0.000 1.688) 1.925 1.685 ( 3.265 0.000 -0.907) 3.388 1.769 ( -2.510 0.000 5.282) 5.848 1.863 ( -0.922 0.000 7.514) 7.570 1.890 ( -0.060 0.000 -0.095) 0.112 1.994 ( 0.181 0.000 5.224) 5.227 2.085 ( 0.263 0.000 -0.804) 0.846 2.129 ( 0.411 0.000 3.638) 3.661 2.230 ( 0.806 0.000 0.616) 1.015 2.406 ( -0.097 0.000 1.149) 1.153 2.619 ( -2.001 0.000 0.703) 2.121 2.790 ( 2.464 0.000 -0.564) 2.527 2.893 ( 6.700 0.000 6.230) 9.149 4.293 ( 0.830 0.000 0.609) 1.030 4.414 ( -1.376 0.000 0.553) 1.483 4.568 ( -2.757 0.000 -4.975) 5.687 4.709 ( 0.398 0.000 0.174) 0.435 7.410 ( 0.281 0.000 0.216) 0.354 7.459 ( 0.091 0.000 0.084) 0.124 9.978 ( 0.680 0.000 -0.149) 0.696 10.188 ( 4.006 0.000 4.626) 6.120 21.091 ( -2.305 0.000 -2.397) 3.326 21.186 ( -1.397 0.000 -2.381) 2.760 21.263 ( -4.272 0.000 -5.185) 6.718 21.571 ( 2.323 0.000 -4.378) 4.956 ======================= Grid point 54 (25/111) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( -4.601 8.062 2.365) 9.579 0.260 ( 1.076 6.728 6.465) 9.393 0.515 ( 0.130 5.206 14.518) 15.424 0.575 ( -0.787 0.038 7.854) 7.893 0.697 ( -1.372 -3.903 2.988) 5.103 0.798 ( -1.113 0.854 0.952) 1.696 0.819 ( -0.980 0.552 2.947) 3.154 0.906 ( -2.917 -1.317 0.639) 3.264 0.936 ( -2.772 0.176 1.365) 3.095 1.064 ( -0.201 4.320 1.550) 4.594 1.142 ( 2.151 -2.353 2.067) 3.799 1.247 ( -0.071 -0.827 1.060) 1.346 1.251 ( -0.526 0.435 -1.813) 1.938 1.298 ( 1.669 -1.443 -1.156) 2.491 1.326 ( 1.377 0.888 4.221) 4.528 1.367 ( 2.659 1.266 1.645) 3.373 1.539 ( 1.849 -0.637 1.668) 2.570 1.650 ( 0.082 -3.494 3.009) 4.612 1.736 ( -2.670 1.011 5.322) 6.040 1.790 ( -0.317 1.463 -1.487) 2.110 1.845 ( -0.519 -0.988 5.940) 6.044 1.915 ( 2.257 -1.311 1.447) 2.985 1.957 ( -3.200 1.717 3.142) 4.802 2.059 ( 0.630 -1.778 -0.449) 1.939 2.101 ( -1.887 -1.134 2.653) 3.448 2.283 ( -4.625 -1.309 -2.188) 5.281 2.392 ( 1.515 2.495 2.866) 4.091 2.575 ( -1.372 -2.064 2.744) 3.698 2.750 ( -1.838 -5.232 7.078) 8.991 2.822 ( 0.269 -0.032 -0.355) 0.446 4.340 ( 0.608 2.805 0.698) 2.954 4.459 ( -0.792 2.489 -1.137) 2.849 4.552 ( 3.540 -0.539 -0.165) 3.584 4.689 ( 0.142 -2.582 0.247) 2.598 7.415 ( 0.022 0.305 0.228) 0.382 7.454 ( 0.306 -0.639 0.132) 0.721 9.998 ( 0.123 1.188 -0.017) 1.194 10.136 ( -2.056 -4.114 3.108) 5.551 21.062 ( 0.624 0.287 -1.937) 2.055 21.214 ( 1.380 -1.771 -0.639) 2.334 21.480 ( 6.219 5.892 -7.775) 11.570 21.607 ( 0.456 0.947 -4.590) 4.709 ======================= Grid point 55 (26/111) ======================= q-point: ( 0.11 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( 3.288 -2.181 7.114) 8.135 0.301 ( 1.081 1.585 10.532) 10.705 0.576 ( 1.617 4.813 10.359) 11.536 0.598 ( 1.122 1.468 9.552) 9.729 0.686 ( 0.051 -1.436 0.582) 1.550 0.738 ( -4.119 -3.051 0.398) 5.141 0.786 ( -3.794 -2.116 2.080) 4.816 0.859 ( 1.028 -2.190 -1.178) 2.691 0.910 ( -0.161 0.981 1.188) 1.549 1.069 ( -0.305 5.091 2.502) 5.681 1.168 ( -0.521 -3.781 1.891) 4.259 1.220 ( -2.097 0.148 1.128) 2.386 1.229 ( -1.804 -0.354 0.712) 1.971 1.337 ( 1.581 -1.716 0.702) 2.436 1.353 ( 0.294 2.439 2.539) 3.532 1.418 ( 1.771 1.636 2.630) 3.568 1.601 ( 3.061 -1.335 1.767) 3.779 1.657 ( 0.235 -2.314 3.487) 4.191 1.689 ( -2.349 1.670 3.650) 4.651 1.754 ( -2.213 -1.941 2.281) 3.724 1.843 ( -1.896 0.742 5.599) 5.958 1.879 ( -1.445 1.690 2.307) 3.204 2.003 ( 1.185 -0.149 3.682) 3.871 2.050 ( -2.489 -2.871 1.499) 4.085 2.067 ( -0.182 -1.163 0.493) 1.277 2.216 ( -1.263 -1.738 -0.864) 2.316 2.405 ( -0.201 3.904 0.339) 3.924 2.560 ( -0.510 -0.559 -1.003) 1.256 2.716 ( -2.247 -1.164 1.853) 3.136 2.816 ( -0.892 -0.400 0.158) 0.990 4.347 ( -0.670 3.728 0.142) 3.791 4.454 ( 1.078 1.618 1.191) 2.280 4.600 ( 0.067 -2.415 -1.194) 2.695 4.693 ( 0.174 -2.912 -0.108) 2.919 7.417 ( 0.082 0.251 0.371) 0.455 7.458 ( -0.107 -0.652 0.275) 0.716 9.997 ( -0.150 0.963 -0.106) 0.980 10.092 ( -2.299 -1.590 1.808) 3.329 21.103 ( 3.448 0.505 -0.985) 3.622 21.245 ( 1.842 2.262 -2.442) 3.804 21.516 ( -0.644 -2.466 -3.574) 4.390 21.587 ( -1.217 -0.141 -4.441) 4.607 ======================= Grid point 56 (27/111) ======================= q-point: ( 0.22 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 8.429 -6.561 8.155) 13.439 0.375 ( 4.148 -0.879 8.240) 9.266 0.597 ( -1.323 -1.070 8.267) 8.440 0.631 ( -1.441 -0.150 3.911) 4.171 0.661 ( -1.045 -0.679 0.554) 1.364 0.737 ( -0.327 -4.030 2.570) 4.791 0.744 ( 3.840 2.831 1.652) 5.049 0.888 ( 1.643 -0.790 -1.762) 2.535 0.931 ( 1.551 -0.021 1.489) 2.150 1.048 ( -2.243 4.411 3.366) 5.985 1.134 ( -2.538 -2.361 3.081) 4.638 1.184 ( -2.733 -0.287 1.718) 3.240 1.193 ( -1.955 0.018 3.736) 4.217 1.333 ( -2.064 0.027 2.806) 3.483 1.366 ( 0.263 1.289 0.525) 1.417 1.454 ( 1.126 0.565 3.332) 3.562 1.634 ( -0.428 -0.804 2.660) 2.812 1.669 ( -0.473 -0.510 2.586) 2.678 1.676 ( -0.308 0.712 2.686) 2.795 1.742 ( 1.426 -2.762 1.470) 3.439 1.803 ( -2.527 0.523 5.945) 6.481 1.884 ( 0.352 1.363 2.050) 2.487 1.964 ( -3.871 1.216 3.861) 5.601 2.017 ( -1.730 -3.875 1.047) 4.371 2.076 ( -0.026 -0.781 1.906) 2.060 2.213 ( 0.371 -0.261 1.202) 1.285 2.400 ( 0.288 3.943 -1.678) 4.295 2.549 ( -0.048 0.907 -3.065) 3.197 2.671 ( -2.166 -0.678 -1.611) 2.783 2.791 ( -1.551 -0.835 1.014) 2.032 4.329 ( -0.819 3.516 0.023) 3.610 4.480 ( 0.538 0.380 1.230) 1.395 4.572 ( -1.917 0.142 -0.754) 2.065 4.690 ( -0.457 -2.910 0.075) 2.947 7.419 ( -0.005 0.131 0.657) 0.670 7.451 ( -0.483 -0.587 0.129) 0.771 9.993 ( -0.311 0.543 -0.034) 0.627 10.057 ( -1.477 -0.981 0.768) 1.932 21.183 ( 4.429 1.025 -0.999) 4.655 21.276 ( 1.941 3.709 -3.625) 5.538 21.481 ( -1.671 -3.976 -1.499) 4.566 21.543 ( -1.900 -1.370 -3.851) 4.508 ======================= Grid point 57 (28/111) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 3.586 -2.564 5.990) 7.438 0.522 ( 5.858 -2.968 3.292) 7.346 0.588 ( 0.078 -0.954 4.512) 4.613 0.607 ( 0.764 -0.967 1.643) 2.053 0.674 ( 0.307 0.159 6.162) 6.172 0.767 ( 2.289 -2.393 2.538) 4.172 0.829 ( 2.958 1.991 2.047) 4.112 0.912 ( 0.784 -0.116 -1.511) 1.706 0.949 ( -0.618 0.459 0.800) 1.110 1.014 ( -1.702 2.560 4.451) 5.410 1.105 ( -1.200 -0.159 3.522) 3.724 1.131 ( -2.224 0.250 2.669) 3.483 1.148 ( -3.134 -1.820 4.575) 5.836 1.282 ( -3.363 -0.611 3.833) 5.136 1.361 ( -0.816 1.862 1.315) 2.422 1.475 ( -0.013 -0.217 3.091) 3.098 1.620 ( -1.477 -0.525 1.169) 1.955 1.647 ( -1.583 -0.215 1.610) 2.268 1.676 ( -0.179 1.180 2.326) 2.615 1.770 ( -1.261 -0.319 4.317) 4.509 1.806 ( 2.720 -1.890 2.360) 4.067 1.879 ( -2.328 -1.791 2.978) 4.183 1.911 ( -0.803 2.839 2.026) 3.579 1.991 ( -0.906 -2.549 1.404) 3.048 2.068 ( -1.167 0.092 3.634) 3.818 2.220 ( -0.117 1.828 1.184) 2.181 2.414 ( 1.345 2.313 -1.662) 3.150 2.543 ( -0.183 3.698 -1.726) 4.085 2.633 ( -0.424 -3.017 -3.152) 4.384 2.763 ( -1.563 -1.380 1.654) 2.661 4.317 ( -0.286 3.097 -0.267) 3.121 4.477 ( -0.761 -0.478 0.384) 0.977 4.535 ( -1.607 1.960 0.251) 2.547 4.681 ( -0.394 -2.776 0.385) 2.830 7.417 ( -0.426 0.094 0.650) 0.783 7.443 ( -0.255 -0.538 0.019) 0.596 9.985 ( -0.462 0.226 0.324) 0.608 10.036 ( -0.682 -0.962 0.256) 1.206 21.266 ( 3.713 1.046 -1.431) 4.115 21.306 ( 1.969 2.791 -4.104) 5.339 21.446 ( -1.423 -3.235 -1.900) 4.012 21.498 ( -1.680 -1.778 -3.111) 3.958 ======================= Grid point 58 (29/111) ======================= q-point: ( 0.44 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.864 -1.149 0.804) 1.647 0.564 ( -0.043 0.700 1.389) 1.556 0.641 ( 1.881 -1.088 7.328) 7.643 0.686 ( -0.735 1.030 6.356) 6.481 0.699 ( 5.056 -0.811 0.993) 5.216 0.801 ( -0.519 -0.918 1.780) 2.069 0.868 ( 0.295 2.933 2.249) 3.708 0.879 ( -2.174 -1.242 0.734) 2.609 0.952 ( 1.018 0.858 1.852) 2.281 1.006 ( -0.210 1.605 5.175) 5.422 1.073 ( -2.001 0.391 3.737) 4.257 1.103 ( -2.221 -2.804 4.214) 5.528 1.132 ( 0.332 0.161 1.977) 2.011 1.234 ( -1.871 -1.753 3.739) 4.533 1.343 ( -1.345 1.869 2.190) 3.178 1.465 ( -1.660 0.259 1.984) 2.600 1.570 ( -2.843 -0.008 -1.386) 3.163 1.635 ( 0.020 -1.265 1.284) 1.802 1.681 ( -0.170 1.214 2.382) 2.679 1.755 ( -0.883 0.446 3.684) 3.815 1.828 ( -1.543 -1.482 2.143) 3.028 1.860 ( 0.849 -1.114 2.248) 2.649 1.928 ( 1.141 -0.258 2.185) 2.479 1.988 ( 0.289 -2.052 2.130) 2.972 2.055 ( -0.860 1.346 4.883) 5.137 2.213 ( -0.637 2.552 0.370) 2.656 2.437 ( 1.137 1.893 -1.329) 2.577 2.534 ( -0.053 3.792 0.037) 3.792 2.652 ( 2.392 -3.414 -1.708) 4.505 2.740 ( -0.962 -1.489 2.141) 2.780 4.315 ( 0.079 3.010 -0.496) 3.051 4.466 ( -0.021 0.064 -0.273) 0.281 4.507 ( -1.331 1.606 1.048) 2.335 4.675 ( -0.289 -2.700 0.375) 2.741 7.406 ( -0.614 0.238 0.073) 0.662 7.442 ( 0.083 -0.640 0.333) 0.726 9.976 ( -0.448 0.216 0.512) 0.714 10.032 ( 0.249 -1.089 0.329) 1.165 21.312 ( 1.130 0.148 -2.867) 3.085 21.342 ( 2.317 1.386 -2.773) 3.870 21.413 ( -1.133 -1.899 -3.163) 3.859 21.461 ( -1.230 -0.805 -2.843) 3.201 ======================= Grid point 59 (30/111) ======================= q-point: (-0.44 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.098 0.436 3.378) 3.408 0.544 ( -3.753 2.706 0.927) 4.719 0.627 ( -1.832 -0.914 4.382) 4.837 0.679 ( -1.698 -0.028 5.322) 5.586 0.717 ( -4.998 1.491 2.590) 5.823 0.794 ( 0.748 -1.345 1.740) 2.323 0.846 ( 0.858 1.899 -1.920) 2.833 0.931 ( 3.173 -1.311 4.746) 5.858 0.988 ( 1.431 1.375 4.180) 4.627 1.024 ( 0.557 -0.250 4.537) 4.578 1.052 ( -1.045 -0.170 4.011) 4.149 1.077 ( -1.087 -1.283 3.905) 4.252 1.126 ( -1.494 0.749 2.056) 2.650 1.225 ( -0.059 -2.133 2.920) 3.616 1.316 ( -1.606 1.798 1.046) 2.628 1.423 ( -2.024 0.486 -1.646) 2.654 1.533 ( -0.231 -0.617 -0.408) 0.775 1.637 ( -0.442 -0.918 1.016) 1.439 1.669 ( -1.450 0.635 1.904) 2.476 1.757 ( 0.348 1.028 3.151) 3.332 1.833 ( 1.418 -1.363 2.240) 2.981 1.874 ( 0.163 -0.984 2.273) 2.482 1.936 ( -0.830 0.401 3.871) 3.979 2.020 ( 1.880 -2.379 1.865) 3.559 2.061 ( 0.257 0.513 5.735) 5.763 2.199 ( -0.743 1.539 0.134) 1.714 2.450 ( 0.061 2.958 -0.454) 2.993 2.556 ( 2.449 1.436 -0.645) 2.911 2.686 ( 0.422 -2.347 1.744) 2.954 2.749 ( 1.548 -0.455 1.626) 2.291 4.318 ( 0.309 3.153 -0.407) 3.194 4.477 ( 0.728 0.028 -0.345) 0.806 4.488 ( -0.316 1.520 0.885) 1.787 4.671 ( -0.129 -2.755 0.204) 2.766 7.397 ( -0.238 0.394 -0.252) 0.525 7.445 ( 0.099 -0.780 0.405) 0.884 9.971 ( -0.148 0.510 0.315) 0.617 10.047 ( 0.974 -1.264 0.927) 1.845 21.300 ( -1.650 -0.464 -2.879) 3.350 21.364 ( 0.208 0.260 -2.347) 2.370 21.391 ( -0.521 -0.474 -3.918) 3.981 21.443 ( 0.874 0.302 -3.738) 3.851 ======================= Grid point 60 (31/111) ======================= q-point: (-0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -8.666 1.320 3.940) 9.611 0.514 ( -3.649 4.241 4.281) 7.045 0.604 ( -5.578 -0.010 5.436) 7.789 0.654 ( 1.674 -0.623 2.749) 3.279 0.667 ( 0.494 -0.433 2.803) 2.879 0.784 ( -1.989 -2.834 2.694) 4.387 0.854 ( -1.014 1.597 2.024) 2.770 0.950 ( -2.982 0.258 0.568) 3.047 1.000 ( -0.601 1.792 2.622) 3.232 1.033 ( -0.595 -1.578 2.850) 3.312 1.073 ( 1.638 -0.422 3.323) 3.729 1.100 ( 1.844 0.035 7.053) 7.290 1.123 ( 2.328 0.836 3.563) 4.337 1.242 ( 1.164 -0.552 1.310) 1.837 1.303 ( 0.461 0.552 -0.819) 1.090 1.382 ( -1.698 0.419 -3.029) 3.498 1.539 ( 0.320 -1.721 -0.232) 1.766 1.619 ( -1.611 -2.354 0.444) 2.886 1.658 ( 0.744 1.997 2.314) 3.146 1.781 ( 0.826 1.433 3.938) 4.271 1.868 ( 0.518 -0.539 3.041) 3.132 1.886 ( 0.767 -1.975 3.038) 3.704 1.935 ( 0.078 1.810 3.889) 4.290 2.052 ( 0.784 -1.088 2.236) 2.607 2.090 ( 0.581 -1.641 5.329) 5.606 2.194 ( 0.712 0.629 0.873) 1.290 2.435 ( -1.220 3.257 -0.394) 3.501 2.617 ( 3.164 -1.876 -2.277) 4.326 2.689 ( -0.329 0.681 3.883) 3.956 2.788 ( 1.496 -0.114 1.510) 2.129 4.323 ( 0.305 3.587 -0.076) 3.601 4.468 ( -0.803 0.636 0.339) 1.079 4.519 ( 2.267 0.367 -0.568) 2.366 4.672 ( 0.204 -2.789 0.042) 2.797 7.396 ( 0.246 0.418 -0.234) 0.539 7.447 ( 0.021 -0.848 0.277) 0.892 9.972 ( 0.244 0.952 0.019) 0.983 10.074 ( 1.300 -1.453 1.694) 2.583 21.238 ( -3.511 -0.118 -2.730) 4.449 21.346 ( -1.877 3.574 -2.138) 4.568 21.361 ( -0.476 -2.650 -5.380) 6.016 21.480 ( 3.138 0.485 -4.021) 5.123 ======================= Grid point 61 (32/111) ======================= q-point: (-0.22 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( -6.288 2.675 6.214) 9.236 0.420 ( -5.672 6.054 4.302) 9.345 0.529 ( -3.315 -2.653 5.780) 7.172 0.678 ( -2.408 1.928 5.255) 6.094 0.708 ( 3.415 0.251 4.081) 5.327 0.748 ( -1.581 -3.495 3.168) 4.975 0.810 ( -2.774 1.195 5.623) 6.383 0.909 ( -0.708 0.724 0.161) 1.025 0.978 ( -1.799 -0.007 2.659) 3.210 1.033 ( 0.270 0.468 2.264) 2.327 1.102 ( 1.195 0.840 1.695) 2.237 1.167 ( 2.618 -0.484 4.162) 4.941 1.206 ( 3.707 0.193 4.753) 6.031 1.270 ( 1.336 1.157 -1.031) 2.046 1.319 ( 0.881 -1.002 -0.148) 1.343 1.333 ( -2.426 0.844 -2.735) 3.752 1.556 ( 1.831 -3.178 0.180) 3.673 1.579 ( -2.246 -2.998 -0.262) 3.755 1.699 ( 1.998 2.277 2.024) 3.643 1.798 ( -0.362 1.133 4.705) 4.852 1.862 ( -1.717 -0.788 6.029) 6.318 1.906 ( 0.138 -1.598 2.163) 2.693 1.964 ( 1.814 2.156 2.341) 3.663 2.063 ( -0.287 -1.932 2.109) 2.874 2.103 ( 0.226 -0.132 3.266) 3.276 2.241 ( 2.858 1.480 3.755) 4.946 2.405 ( -1.517 1.635 -0.783) 2.364 2.639 ( -0.624 -2.868 -1.037) 3.113 2.713 ( 1.724 0.805 2.625) 3.242 2.811 ( 0.457 -0.356 1.533) 1.639 4.332 ( 0.580 4.216 0.105) 4.257 4.449 ( -1.126 0.710 -0.037) 1.332 4.560 ( 1.630 -0.700 -1.305) 2.202 4.678 ( 0.272 -2.657 -0.128) 2.674 7.404 ( 0.467 0.322 -0.009) 0.568 7.448 ( 0.003 -0.841 0.109) 0.848 9.980 ( 0.524 1.316 -0.137) 1.423 10.105 ( 1.284 -1.844 2.587) 3.427 21.157 ( -3.620 0.085 -2.523) 4.413 21.285 ( -3.135 -0.537 -3.238) 4.539 21.351 ( 0.738 3.996 -5.899) 7.163 21.538 ( 3.372 0.794 -4.125) 5.386 ======================= Grid point 62 (33/111) ======================= q-point: (-0.11 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( -0.042 6.753 6.007) 9.038 0.322 ( -5.003 8.065 2.361) 9.780 0.501 ( -1.106 -0.382 8.396) 8.477 0.608 ( -4.710 3.161 10.747) 12.152 0.723 ( -1.864 -2.995 3.757) 5.153 0.794 ( 0.078 0.598 3.363) 3.417 0.809 ( 3.409 1.804 3.563) 5.251 0.901 ( -0.021 -2.459 2.191) 3.294 0.963 ( -0.336 0.053 2.449) 2.473 1.052 ( 0.777 3.340 1.997) 3.968 1.122 ( 0.260 0.128 1.368) 1.399 1.221 ( 1.872 -0.937 2.391) 3.178 1.277 ( 1.339 1.925 2.318) 3.298 1.279 ( -1.053 -0.003 -1.064) 1.497 1.288 ( 0.742 -0.486 -1.031) 1.361 1.331 ( 0.452 -0.671 0.051) 0.811 1.534 ( -1.465 -1.895 -0.035) 2.395 1.615 ( 2.869 -3.205 2.285) 4.871 1.738 ( 1.801 1.434 1.351) 2.670 1.784 ( -1.670 1.458 3.641) 4.263 1.848 ( -1.037 -1.455 6.578) 6.817 1.901 ( -0.929 -0.558 2.234) 2.483 1.996 ( 0.155 0.966 2.179) 2.389 2.057 ( -0.482 -0.847 0.176) 0.990 2.114 ( -0.081 -1.074 1.982) 2.256 2.316 ( 3.252 5.453 4.105) 7.560 2.370 ( -1.952 -2.771 -0.144) 3.393 2.609 ( -2.081 -2.464 1.286) 3.472 2.747 ( 0.570 -3.024 4.435) 5.398 2.818 ( 0.067 -0.923 0.751) 1.192 4.343 ( 0.005 3.652 -0.130) 3.654 4.435 ( 0.668 1.414 0.170) 1.573 4.560 ( -1.489 -0.223 -2.401) 2.834 4.683 ( 0.334 -2.503 0.177) 2.531 7.412 ( 0.267 0.243 0.191) 0.409 7.449 ( 0.136 -0.771 0.023) 0.784 9.991 ( 0.532 1.366 -0.071) 1.468 10.136 ( 0.883 -3.337 3.561) 4.959 21.089 ( -2.315 0.171 -2.712) 3.570 21.219 ( -2.062 -2.984 -1.941) 4.114 21.376 ( 3.922 10.982 -7.159) 13.683 21.588 ( 2.369 1.179 -4.420) 5.152 ======================= Grid point 63 (34/111) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -2.704 6.662 3.452) 7.976 0.389 ( -5.141 5.730 5.090) 9.229 0.525 ( 1.908 -3.299 2.642) 4.637 0.533 ( 0.296 -5.074 9.647) 10.904 0.725 ( -1.842 6.103 4.503) 7.805 0.802 ( -2.956 -1.378 1.531) 3.603 0.840 ( -1.633 1.797 2.056) 3.182 0.876 ( -3.462 -1.757 0.752) 3.954 0.968 ( -0.386 3.357 2.766) 4.367 1.065 ( 0.911 -5.261 2.281) 5.806 1.157 ( 0.072 4.269 0.423) 4.291 1.222 ( 0.337 -1.956 0.309) 2.009 1.244 ( -0.469 -0.509 -0.107) 0.701 1.258 ( 0.644 -1.803 -0.967) 2.145 1.357 ( 2.270 1.752 4.079) 4.986 1.378 ( 2.854 -0.234 3.008) 4.153 1.542 ( 1.351 0.934 1.864) 2.484 1.580 ( 0.704 -2.968 2.790) 4.134 1.759 ( -1.468 1.580 5.540) 5.945 1.796 ( -2.691 -1.640 5.901) 6.689 1.836 ( 0.844 1.261 -0.442) 1.580 1.873 ( 0.706 -2.169 1.692) 2.840 2.009 ( -2.465 2.555 3.561) 5.028 2.044 ( -0.450 -0.792 1.392) 1.664 2.089 ( -1.385 1.493 0.368) 2.070 2.179 ( -3.390 -6.430 -0.267) 7.274 2.476 ( 0.901 4.015 1.962) 4.559 2.532 ( -0.192 -1.985 2.673) 3.335 2.762 ( -0.374 2.862 1.169) 3.114 2.809 ( -0.070 -1.571 -0.012) 1.572 4.409 ( 0.741 3.738 0.541) 3.849 4.466 ( 0.936 -1.664 0.224) 1.922 4.568 ( -0.107 2.192 -0.545) 2.261 4.626 ( -0.066 -3.466 -0.033) 3.467 7.424 ( 0.119 0.641 0.190) 0.679 7.439 ( 0.243 -0.834 0.145) 0.881 10.032 ( -0.193 2.122 0.293) 2.151 10.077 ( -0.754 -2.470 1.344) 2.911 21.087 ( 1.104 2.293 -1.427) 2.918 21.149 ( 1.960 -3.748 -0.375) 4.246 21.572 ( 0.623 3.428 -6.763) 7.608 21.612 ( 0.026 -0.706 -5.589) 5.633 ======================= Grid point 64 (35/111) ======================= q-point: ( 0.11 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( -7.221 6.159 6.173) 11.322 0.321 ( -3.869 -0.835 9.658) 10.437 0.552 ( 0.166 -1.791 5.996) 6.259 0.574 ( 0.364 -4.374 4.765) 6.479 0.727 ( -4.119 1.024 -0.785) 4.317 0.743 ( 1.854 3.125 2.304) 4.302 0.757 ( -4.690 1.300 1.264) 5.028 0.826 ( 0.842 -2.282 -0.030) 2.432 0.966 ( -0.491 4.549 2.658) 5.291 1.072 ( -0.940 -5.648 2.742) 6.348 1.163 ( -1.045 3.813 2.254) 4.551 1.212 ( -1.917 -1.534 1.509) 2.882 1.236 ( 0.294 1.885 1.038) 2.171 1.290 ( 1.834 -2.956 0.416) 3.503 1.403 ( 0.951 2.353 3.298) 4.161 1.433 ( 1.438 -0.426 2.884) 3.251 1.582 ( 2.019 -0.100 2.464) 3.187 1.607 ( 1.419 -2.355 3.497) 4.448 1.722 ( -2.854 1.360 5.538) 6.377 1.736 ( -3.348 -0.254 4.602) 5.696 1.844 ( -0.327 0.071 2.342) 2.365 1.868 ( -1.794 -2.007 1.425) 3.046 1.990 ( -0.317 1.037 2.479) 2.706 2.025 ( -2.106 -1.977 2.298) 3.691 2.082 ( 0.731 2.674 0.331) 2.792 2.151 ( 0.290 -4.026 -0.385) 4.054 2.486 ( -0.077 3.557 0.431) 3.584 2.534 ( 0.022 -1.633 -0.096) 1.636 2.746 ( -1.477 2.861 0.196) 3.226 2.796 ( -1.259 -1.847 -0.218) 2.246 4.427 ( 0.195 3.970 0.142) 3.977 4.476 ( 0.204 -0.366 0.738) 0.848 4.573 ( 0.499 0.475 -0.090) 0.694 4.623 ( -0.123 -3.794 0.022) 3.796 7.426 ( -0.017 0.675 0.317) 0.746 7.442 ( -0.073 -0.885 0.286) 0.933 10.024 ( -0.649 1.631 0.100) 1.758 10.058 ( -1.285 -1.803 0.767) 2.343 21.139 ( 3.944 3.128 -0.649) 5.076 21.215 ( 4.191 -4.006 -0.458) 5.816 21.526 ( -3.114 2.541 -5.784) 7.044 21.571 ( -2.465 -1.616 -5.624) 6.350 ======================= Grid point 65 (36/111) ======================= q-point: ( 0.22 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( 6.056 -0.936 11.148) 12.721 0.316 ( 2.008 -5.537 8.730) 10.531 0.559 ( -0.382 -0.876 4.561) 4.660 0.580 ( -0.313 -2.418 3.447) 4.223 0.680 ( -0.518 0.600 1.352) 1.567 0.690 ( -0.583 -0.922 1.033) 1.503 0.815 ( 3.313 3.789 1.517) 5.257 0.872 ( 2.777 -1.725 -0.413) 3.295 0.964 ( -0.136 3.438 2.232) 4.101 1.048 ( -1.820 -4.562 3.599) 6.089 1.128 ( -2.305 2.532 2.780) 4.410 1.166 ( -2.851 -1.301 2.255) 3.860 1.236 ( -2.019 3.301 4.137) 5.665 1.298 ( -2.008 -2.726 3.724) 5.033 1.417 ( 0.423 2.733 0.090) 2.767 1.454 ( 0.473 -0.879 1.639) 1.919 1.624 ( 0.784 0.296 4.286) 4.367 1.648 ( 0.664 -1.679 4.531) 4.877 1.690 ( -0.866 0.494 3.301) 3.449 1.703 ( -0.000 -1.038 1.590) 1.899 1.816 ( -2.190 1.155 3.651) 4.412 1.854 ( -0.941 -2.522 3.434) 4.363 1.978 ( -1.198 -0.320 1.386) 1.860 1.983 ( -2.321 -0.227 1.663) 2.864 2.102 ( 0.508 3.072 2.682) 4.110 2.169 ( 1.121 -3.348 2.000) 4.058 2.483 ( 0.115 3.672 -2.234) 4.299 2.536 ( 0.611 -1.843 -2.869) 3.464 2.702 ( -2.699 3.060 -0.814) 4.161 2.760 ( -2.089 -2.429 -0.205) 3.211 4.414 ( -0.994 4.573 -0.530) 4.709 4.477 ( -0.536 -1.320 0.222) 1.442 4.579 ( -0.052 0.874 0.576) 1.049 4.621 ( -0.241 -3.415 0.649) 3.484 7.425 ( -0.156 0.496 0.448) 0.686 7.438 ( -0.356 -0.742 0.259) 0.863 10.009 ( -0.795 1.082 0.079) 1.345 10.033 ( -1.217 -1.343 0.373) 1.851 21.227 ( 4.472 3.366 -0.720) 5.644 21.299 ( 3.992 -2.683 -1.549) 5.053 21.444 ( -3.273 1.782 -4.309) 5.697 21.501 ( -2.803 -2.873 -4.988) 6.402 ======================= Grid point 66 (37/111) ======================= q-point: ( 0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 5.796 -2.166 7.446) 9.682 0.435 ( 7.369 -4.128 5.363) 10.005 0.579 ( 1.466 0.128 2.469) 2.874 0.588 ( 1.206 -0.722 1.853) 2.326 0.703 ( 1.635 1.313 5.289) 5.690 0.725 ( 2.726 -1.451 3.076) 4.359 0.868 ( 1.219 2.553 1.708) 3.305 0.915 ( 1.442 -1.338 0.289) 1.988 0.972 ( 0.187 2.534 0.606) 2.612 1.027 ( -1.071 -2.287 3.176) 4.058 1.092 ( -2.251 0.876 3.823) 4.522 1.121 ( -1.598 -1.076 2.515) 3.168 1.171 ( -4.605 3.005 4.261) 6.957 1.238 ( -4.114 -3.282 3.829) 6.508 1.417 ( -0.865 2.959 1.830) 3.585 1.460 ( -0.474 -1.422 2.316) 2.759 1.623 ( -1.369 0.766 2.818) 3.225 1.639 ( -1.473 -0.653 2.633) 3.087 1.705 ( 0.805 1.652 1.960) 2.687 1.744 ( 2.134 -2.266 1.494) 3.452 1.791 ( -0.790 0.979 4.431) 4.606 1.831 ( -2.033 -2.626 3.925) 5.142 1.943 ( -1.732 0.614 1.392) 2.305 1.958 ( -0.976 -1.055 1.289) 1.931 2.114 ( 0.012 4.265 3.667) 5.625 2.199 ( 1.032 -3.496 2.830) 4.615 2.485 ( 0.809 3.919 -3.372) 5.233 2.551 ( 1.542 -2.861 -3.036) 4.447 2.643 ( -2.529 3.967 -0.567) 4.739 2.717 ( -1.939 -3.237 0.330) 3.788 4.396 ( -0.565 4.358 -0.723) 4.454 4.461 ( -0.743 -1.807 -0.440) 2.003 4.570 ( -1.028 1.765 1.007) 2.278 4.617 ( -0.391 -3.196 1.048) 3.386 7.421 ( -0.352 0.352 0.427) 0.656 7.431 ( -0.302 -0.611 0.183) 0.706 9.994 ( -0.646 0.736 0.304) 1.025 10.014 ( -0.731 -1.191 0.279) 1.425 21.302 ( 2.803 2.691 -1.367) 4.119 21.362 ( 2.672 -0.854 -2.790) 3.957 21.383 ( -1.854 0.708 -3.346) 3.890 21.447 ( -1.234 -3.281 -3.973) 5.298 ======================= Grid point 67 (38/111) ======================= q-point: ( 0.44 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 2.920 0.997 2.735) 4.123 0.548 ( 2.599 -2.098 2.799) 4.358 0.629 ( 2.200 0.177 5.552) 5.974 0.651 ( 2.766 -1.960 4.316) 5.488 0.748 ( 1.073 2.251 4.911) 5.508 0.778 ( 0.449 -1.259 2.707) 3.019 0.873 ( -0.703 2.745 1.976) 3.455 0.931 ( -0.164 -0.996 0.864) 1.329 0.964 ( -0.082 2.149 1.919) 2.882 1.019 ( -0.700 -2.681 2.236) 3.561 1.058 ( -1.645 1.695 5.267) 5.772 1.097 ( -2.290 0.730 3.711) 4.421 1.122 ( -0.066 -0.042 1.268) 1.270 1.177 ( -2.154 -3.575 2.686) 4.964 1.396 ( -1.655 3.051 4.344) 5.560 1.449 ( -1.332 -1.995 3.859) 4.544 1.584 ( -2.738 1.321 -0.995) 3.199 1.611 ( -1.341 -1.233 0.335) 1.852 1.716 ( -0.241 2.279 1.978) 3.028 1.756 ( -0.752 -1.016 2.879) 3.144 1.801 ( -0.191 -0.305 3.159) 3.179 1.825 ( 1.221 -2.073 3.286) 4.072 1.929 ( -0.086 0.441 2.272) 2.316 1.949 ( -0.188 -1.684 1.896) 2.543 2.119 ( -0.383 4.953 3.366) 6.000 2.212 ( -0.449 -3.177 1.488) 3.536 2.498 ( 1.049 3.698 -2.630) 4.658 2.561 ( -0.187 -2.422 -2.489) 3.478 2.632 ( 1.651 2.873 1.496) 3.636 2.695 ( -0.126 -2.993 1.592) 3.392 4.389 ( 0.071 4.085 -0.719) 4.149 4.452 ( 0.095 -1.931 -0.694) 2.054 4.548 ( -1.193 2.629 1.178) 3.119 4.610 ( -0.507 -3.553 0.945) 3.711 7.414 ( -0.383 0.552 0.142) 0.687 7.427 ( -0.114 -0.796 0.242) 0.839 9.986 ( -0.245 0.784 0.553) 0.990 10.007 ( 0.020 -1.324 0.483) 1.409 21.323 ( 0.035 1.103 -3.102) 3.292 21.351 ( -0.675 -1.284 -2.730) 3.091 21.397 ( 1.702 1.314 -3.221) 3.873 21.434 ( 0.391 -1.859 -2.747) 3.340 ======================= Grid point 68 (39/111) ======================= q-point: (-0.44 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.615 2.249 5.014) 5.529 0.592 ( 1.537 0.258 0.389) 1.606 0.620 ( -4.025 0.921 4.864) 6.380 0.657 ( -3.768 -2.202 7.331) 8.532 0.738 ( -3.488 1.089 3.517) 5.072 0.766 ( -1.226 -1.566 2.031) 2.843 0.878 ( 0.911 2.632 0.998) 2.959 0.938 ( 1.573 -0.994 0.368) 1.897 0.990 ( 0.570 0.287 4.747) 4.790 1.023 ( 0.829 -1.576 4.695) 5.021 1.052 ( -0.170 1.943 3.816) 4.285 1.073 ( -1.368 0.448 3.199) 3.507 1.128 ( 0.167 0.115 1.663) 1.675 1.168 ( 0.525 -3.218 2.310) 3.996 1.368 ( -1.951 3.185 2.237) 4.353 1.420 ( -2.023 -1.475 0.816) 2.633 1.538 ( -1.015 1.623 -0.500) 1.979 1.590 ( -0.986 -3.065 0.161) 3.224 1.707 ( -0.866 2.423 2.076) 3.306 1.752 ( 0.088 -1.865 3.035) 3.564 1.824 ( 1.399 1.179 3.551) 3.994 1.855 ( 0.742 -1.318 3.143) 3.488 1.941 ( 0.439 0.399 2.924) 2.984 1.964 ( 1.275 -2.218 2.569) 3.625 2.113 ( -0.903 3.995 2.993) 5.073 2.190 ( -1.704 -2.831 0.659) 3.369 2.513 ( 0.807 2.992 -1.373) 3.389 2.556 ( 0.594 -1.336 -2.128) 2.582 2.681 ( 2.088 1.689 3.092) 4.095 2.723 ( 2.052 -2.046 2.145) 3.605 4.394 ( 0.597 4.173 -0.566) 4.253 4.459 ( 0.649 -2.104 -0.625) 2.289 4.533 ( -0.401 3.020 0.871) 3.169 4.603 ( -0.329 -3.870 0.688) 3.944 7.408 ( -0.133 0.794 -0.055) 0.807 7.427 ( -0.010 -1.026 0.195) 1.044 9.988 ( 0.288 1.193 0.646) 1.387 10.016 ( 0.711 -1.657 0.878) 2.006 21.303 ( -1.291 0.841 -3.552) 3.872 21.333 ( -0.602 -2.059 -3.857) 4.414 21.416 ( 0.685 1.674 -2.289) 2.917 21.440 ( 1.140 -0.700 -2.731) 3.041 ======================= Grid point 69 (40/111) ======================= q-point: (-0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -8.332 4.380 7.931) 12.309 0.552 ( -6.663 -3.651 7.406) 10.610 0.610 ( -1.081 3.160 1.971) 3.877 0.644 ( 1.751 -0.627 1.971) 2.710 0.671 ( -1.605 1.297 4.455) 4.909 0.723 ( -3.198 -3.299 4.164) 6.201 0.899 ( 0.376 3.067 1.115) 3.285 0.970 ( 1.064 -3.563 0.661) 3.777 0.979 ( -2.693 2.027 2.318) 4.090 1.016 ( -2.667 -0.910 2.824) 3.990 1.077 ( 1.799 0.941 6.372) 6.688 1.098 ( 2.647 -0.746 4.098) 4.936 1.151 ( 2.094 2.344 3.496) 4.701 1.206 ( 2.474 -2.765 1.811) 4.129 1.341 ( -0.542 2.754 -1.877) 3.377 1.382 ( -1.466 -0.914 -2.416) 2.970 1.523 ( -1.033 0.455 0.487) 1.229 1.560 ( -2.005 -2.945 0.381) 3.583 1.711 ( 0.949 3.217 2.696) 4.303 1.778 ( 1.327 -2.764 3.796) 4.880 1.852 ( -0.170 0.428 3.681) 3.709 1.866 ( -0.556 -0.444 4.655) 4.709 1.966 ( 1.563 1.398 2.388) 3.178 2.004 ( 1.453 -2.629 2.933) 4.199 2.109 ( 0.024 2.591 3.516) 4.368 2.168 ( 0.014 -2.874 1.665) 3.321 2.513 ( -0.569 3.914 -1.150) 4.119 2.573 ( 1.028 -2.347 -1.864) 3.169 2.724 ( 1.396 2.345 2.876) 3.965 2.768 ( 1.647 -1.859 1.790) 3.061 4.407 ( 0.692 4.312 -0.441) 4.389 4.467 ( 0.022 -1.394 -0.341) 1.435 4.539 ( 0.833 2.119 0.116) 2.280 4.602 ( 0.191 -3.916 0.545) 3.959 7.409 ( 0.163 0.828 -0.106) 0.850 7.428 ( 0.064 -1.072 0.082) 1.077 9.999 ( 0.684 1.750 0.624) 1.980 10.038 ( 1.065 -2.045 1.253) 2.624 21.250 ( -2.968 1.508 -3.623) 4.920 21.297 ( -2.178 -3.081 -4.642) 5.982 21.426 ( 1.348 3.575 -2.254) 4.436 21.474 ( 2.804 -1.297 -2.880) 4.224 ======================= Grid point 70 (41/111) ======================= q-point: (-0.22 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -4.185 5.541 8.484) 10.963 0.450 ( -3.982 -4.681 8.245) 10.284 0.543 ( -4.199 5.389 3.318) 7.595 0.639 ( -3.544 -4.343 5.279) 7.700 0.719 ( 3.459 0.210 4.202) 5.447 0.721 ( 3.049 0.049 2.526) 3.960 0.874 ( -3.814 4.723 5.027) 7.882 0.924 ( -2.773 0.346 1.796) 3.322 0.974 ( -1.172 -0.407 1.403) 1.873 0.999 ( 1.536 -3.026 1.648) 3.772 1.133 ( 2.146 1.602 4.231) 5.008 1.162 ( 2.433 -0.984 3.399) 4.294 1.217 ( 2.810 1.838 3.879) 5.130 1.263 ( 2.343 -2.073 1.797) 3.607 1.327 ( -0.829 1.523 -2.631) 3.151 1.344 ( -1.768 0.005 -2.802) 3.313 1.509 ( 0.035 -0.927 0.546) 1.077 1.524 ( -0.927 -2.226 0.340) 2.435 1.741 ( 0.819 2.577 2.186) 3.478 1.807 ( 0.093 -3.111 3.914) 5.001 1.834 ( -1.963 0.802 4.248) 4.748 1.864 ( -0.239 -1.656 4.660) 4.951 2.005 ( 1.295 1.448 1.234) 2.301 2.031 ( 0.849 -1.412 3.080) 3.493 2.130 ( 0.721 3.123 3.847) 5.007 2.207 ( 2.340 -3.941 4.861) 6.681 2.486 ( -1.666 5.168 -1.644) 5.673 2.572 ( -0.862 -3.652 -1.237) 3.951 2.751 ( 0.774 2.454 1.684) 3.076 2.793 ( 0.578 -1.588 0.948) 1.938 4.417 ( 0.362 3.748 -0.526) 3.802 4.457 ( -0.817 -0.345 -0.460) 0.999 4.560 ( 1.006 1.146 -0.135) 1.531 4.612 ( 0.546 -3.629 0.395) 3.691 7.414 ( 0.322 0.675 -0.036) 0.749 7.430 ( 0.135 -0.933 -0.014) 0.943 10.016 ( 0.737 2.207 0.554) 2.392 10.062 ( 0.927 -2.403 1.529) 2.996 21.173 ( -3.564 1.716 -3.225) 5.104 21.225 ( -3.574 -3.416 -4.178) 6.473 21.467 ( 3.344 5.285 -3.543) 7.188 21.534 ( 3.673 -1.595 -3.543) 5.347 ======================= Grid point 71 (42/111) ======================= q-point: (-0.11 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 1.594 7.050 5.095) 8.843 0.443 ( -0.476 1.328 9.019) 9.129 0.483 ( -1.118 0.486 0.037) 1.220 0.570 ( -4.456 -5.229 8.075) 10.602 0.772 ( -1.645 5.472 3.720) 6.818 0.817 ( 0.878 1.171 4.807) 5.024 0.831 ( 4.498 0.646 5.129) 6.852 0.865 ( -3.091 -1.340 1.946) 3.891 0.970 ( -0.112 1.351 1.395) 1.945 1.038 ( 1.519 -4.145 1.873) 4.796 1.168 ( -0.105 3.316 2.060) 3.905 1.208 ( 1.414 -0.671 2.492) 2.943 1.257 ( 0.048 -0.799 0.446) 0.916 1.273 ( -2.234 -1.605 -1.635) 3.200 1.312 ( 1.048 1.292 0.544) 1.750 1.324 ( 1.465 -0.072 1.036) 1.795 1.517 ( 0.759 0.320 1.041) 1.327 1.549 ( 1.922 -2.892 2.322) 4.177 1.756 ( 0.443 1.080 2.689) 2.931 1.790 ( -0.672 -1.914 3.425) 3.980 1.834 ( -0.252 1.422 3.744) 4.013 1.871 ( -0.344 -1.913 3.354) 3.876 2.021 ( 0.238 1.453 1.076) 1.824 2.051 ( -0.008 -1.159 3.221) 3.423 2.128 ( -1.952 3.848 2.062) 4.783 2.241 ( -1.309 -6.738 4.281) 8.090 2.457 ( -0.170 5.579 -0.099) 5.583 2.542 ( -1.437 -3.458 0.872) 3.845 2.762 ( 0.012 2.500 1.249) 2.795 2.803 ( 0.429 -1.325 0.202) 1.408 4.412 ( -0.781 3.051 -0.354) 3.169 4.448 ( 0.460 -0.425 -0.333) 0.709 4.572 ( 0.121 1.621 -0.331) 1.659 4.623 ( 0.389 -3.273 0.208) 3.303 7.420 ( 0.269 0.558 0.087) 0.625 7.433 ( 0.251 -0.787 -0.012) 0.826 10.029 ( 0.392 2.351 0.460) 2.427 10.079 ( 0.251 -2.673 1.639) 3.146 21.105 ( -2.142 1.618 -2.509) 3.675 21.153 ( -2.070 -3.188 -2.289) 4.437 21.534 ( 3.929 5.282 -5.499) 8.577 21.594 ( 2.827 -1.048 -4.682) 5.569 ======================= Grid point 90 (43/111) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 0.458 0.000 6.764) 6.779 0.295 ( 3.624 0.000 8.212) 8.977 0.617 ( 0.960 0.000 0.599) 1.131 0.777 ( 2.368 0.000 1.366) 2.734 0.797 ( -0.529 0.000 0.191) 0.563 0.850 ( -4.942 0.000 14.106) 14.946 0.870 ( -0.248 0.000 4.438) 4.445 0.936 ( -3.600 0.000 1.397) 3.861 0.955 ( -3.948 0.000 -0.424) 3.970 1.091 ( -0.115 0.000 3.995) 3.997 1.166 ( -1.286 0.000 -0.493) 1.377 1.210 ( 0.131 0.000 0.100) 0.164 1.314 ( 2.932 0.000 -0.036) 2.932 1.325 ( 1.275 0.000 2.987) 3.247 1.339 ( 1.121 0.000 2.184) 2.455 1.424 ( 0.779 0.000 4.210) 4.282 1.613 ( 1.537 0.000 3.222) 3.570 1.738 ( 1.460 0.000 0.842) 1.685 1.763 ( -0.067 0.000 4.117) 4.117 1.828 ( -1.138 0.000 4.363) 4.509 1.930 ( 1.289 0.000 0.514) 1.387 1.986 ( -2.212 0.000 2.209) 3.126 2.030 ( -2.255 0.000 10.327) 10.571 2.119 ( 2.692 0.000 0.442) 2.728 2.211 ( -2.653 0.000 6.476) 6.998 2.248 ( -1.037 0.000 1.831) 2.105 2.416 ( -2.584 0.000 2.245) 3.423 2.576 ( -2.173 0.000 -0.456) 2.220 2.809 ( 1.005 0.000 -0.634) 1.189 2.902 ( -5.327 0.000 -4.264) 6.824 4.332 ( 0.141 0.000 1.379) 1.387 4.432 ( 0.737 0.000 1.679) 1.834 4.538 ( 3.224 0.000 -1.579) 3.590 4.721 ( -0.083 0.000 0.133) 0.157 7.418 ( -0.005 0.000 0.397) 0.397 7.465 ( 0.323 0.000 0.197) 0.378 9.987 ( 0.218 0.000 -0.054) 0.225 10.212 ( -2.811 0.000 -0.751) 2.909 21.056 ( 1.222 0.000 -1.341) 1.814 21.115 ( 0.337 0.000 -3.174) 3.191 21.356 ( 8.115 0.000 -2.593) 8.519 21.494 ( 1.250 0.000 -5.907) 6.038 ======================= Grid point 91 (44/111) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 5.556 0.000 5.576) 7.872 0.404 ( 5.027 0.000 6.559) 8.264 0.646 ( 1.598 0.000 -0.624) 1.715 0.743 ( -4.653 0.000 -3.179) 5.635 0.783 ( -1.584 0.000 3.783) 4.101 0.818 ( -2.201 0.000 14.788) 14.951 0.831 ( -2.268 0.000 1.806) 2.899 0.909 ( -0.448 0.000 1.637) 1.697 0.926 ( 1.563 0.000 0.676) 1.703 1.080 ( -1.255 0.000 4.285) 4.465 1.188 ( 2.365 0.000 -1.019) 2.575 1.222 ( 0.599 0.000 0.814) 1.011 1.299 ( -3.152 0.000 3.094) 4.417 1.346 ( -1.295 0.000 1.542) 2.014 1.393 ( 3.113 0.000 1.794) 3.593 1.451 ( 1.696 0.000 2.362) 2.908 1.664 ( 2.277 0.000 2.800) 3.609 1.739 ( -1.061 0.000 3.882) 4.024 1.744 ( -2.261 0.000 2.775) 3.579 1.833 ( 0.024 0.000 2.225) 2.225 1.883 ( -2.788 0.000 3.114) 4.180 2.009 ( -2.370 0.000 10.289) 10.558 2.041 ( 3.757 0.000 -1.179) 3.938 2.143 ( -3.272 0.000 4.746) 5.765 2.196 ( 1.661 0.000 7.581) 7.761 2.217 ( -2.267 0.000 2.579) 3.434 2.353 ( -3.141 0.000 -0.026) 3.142 2.529 ( -2.154 0.000 -0.964) 2.360 2.757 ( -6.618 0.000 -1.621) 6.814 2.824 ( 0.480 0.000 0.073) 0.486 4.323 ( -0.998 0.000 1.134) 1.511 4.466 ( 1.871 0.000 1.503) 2.400 4.572 ( -0.080 0.000 -3.040) 3.041 4.719 ( -0.030 0.000 -0.134) 0.137 7.423 ( 0.360 0.000 0.487) 0.606 7.468 ( -0.190 0.000 0.058) 0.199 9.986 ( -0.185 0.000 -0.123) 0.222 10.144 ( -3.173 0.000 1.208) 3.395 21.089 ( 2.457 0.000 -1.630) 2.949 21.126 ( 1.480 0.000 -3.452) 3.756 21.461 ( 2.670 0.000 -5.970) 6.540 21.493 ( 0.057 0.000 -5.702) 5.702 ======================= Grid point 92 (45/111) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 4.976 0.000 4.663) 6.819 0.522 ( 5.142 0.000 5.148) 7.276 0.646 ( -3.171 0.000 -3.102) 4.436 0.651 ( -1.322 0.000 -1.559) 2.044 0.769 ( -0.216 0.000 5.030) 5.035 0.827 ( 1.399 0.000 0.295) 1.430 0.839 ( 1.228 0.000 9.504) 9.583 0.907 ( -0.187 0.000 1.937) 1.946 0.958 ( 0.628 0.000 1.622) 1.739 1.069 ( -0.628 0.000 4.742) 4.784 1.219 ( -1.722 0.000 1.881) 2.550 1.225 ( -1.451 0.000 2.333) 2.748 1.242 ( -0.278 0.000 2.651) 2.666 1.308 ( -1.767 0.000 -0.112) 1.771 1.437 ( 0.368 0.000 2.947) 2.970 1.506 ( 2.769 0.000 2.051) 3.446 1.678 ( -2.476 0.000 1.735) 3.024 1.712 ( -0.448 0.000 1.137) 1.222 1.733 ( -0.750 0.000 6.121) 6.166 1.821 ( -1.390 0.000 -0.031) 1.390 1.866 ( 0.251 0.000 3.578) 3.587 1.978 ( -2.939 0.000 8.484) 8.978 2.059 ( -3.901 0.000 2.867) 4.841 2.104 ( 0.720 0.000 2.882) 2.971 2.185 ( -1.522 0.000 5.180) 5.399 2.204 ( -3.071 0.000 6.410) 7.107 2.360 ( 4.096 0.000 0.927) 4.200 2.486 ( -1.798 0.000 -1.445) 2.307 2.647 ( -3.797 0.000 -2.146) 4.362 2.827 ( -0.288 0.000 1.226) 1.260 4.304 ( -1.053 0.000 0.635) 1.229 4.502 ( 1.167 0.000 1.224) 1.691 4.535 ( -2.413 0.000 -1.958) 3.107 4.717 ( -0.150 0.000 -0.093) 0.177 7.432 ( 0.237 0.000 0.667) 0.707 7.457 ( -0.699 0.000 -0.134) 0.712 9.983 ( -0.023 0.000 -0.324) 0.325 10.095 ( -2.126 0.000 1.695) 2.719 21.146 ( 3.503 0.000 -2.366) 4.227 21.155 ( 2.240 0.000 -3.997) 4.582 21.459 ( -0.864 0.000 -5.095) 5.167 21.471 ( -0.839 0.000 -5.405) 5.470 ======================= Grid point 93 (46/111) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.101 0.000 1.087) 1.092 0.602 ( -2.448 0.000 -0.698) 2.545 0.635 ( 4.650 0.000 3.397) 5.759 0.647 ( 3.381 0.000 1.363) 3.645 0.772 ( -0.627 0.000 0.183) 0.653 0.878 ( 1.993 0.000 3.153) 3.730 0.881 ( -0.315 0.000 6.096) 6.105 0.914 ( 1.092 0.000 1.660) 1.987 0.961 ( 0.124 0.000 1.659) 1.664 1.080 ( 0.206 0.000 4.647) 4.652 1.165 ( -3.412 0.000 1.731) 3.827 1.185 ( -1.472 0.000 3.266) 3.582 1.268 ( 0.408 0.000 4.188) 4.208 1.290 ( -0.186 0.000 0.708) 0.732 1.413 ( -3.372 0.000 3.277) 4.702 1.551 ( 0.587 0.000 2.755) 2.817 1.615 ( -3.161 0.000 -0.228) 3.169 1.708 ( -0.298 0.000 1.853) 1.877 1.722 ( -2.178 0.000 6.004) 6.387 1.786 ( -1.712 0.000 -1.953) 2.597 1.891 ( 0.917 0.000 3.116) 3.249 1.953 ( -0.352 0.000 5.486) 5.498 1.980 ( -4.114 0.000 4.352) 5.989 2.113 ( -1.024 0.000 5.756) 5.846 2.174 ( -0.185 0.000 1.112) 1.127 2.181 ( -0.697 0.000 8.376) 8.405 2.448 ( 2.451 0.000 3.830) 4.547 2.455 ( -0.678 0.000 -0.981) 1.192 2.602 ( 0.591 0.000 -3.158) 3.213 2.819 ( -0.934 0.000 1.978) 2.187 4.286 ( -0.796 0.000 -0.030) 0.796 4.484 ( -1.954 0.000 -0.877) 2.142 4.518 ( 0.166 0.000 1.264) 1.275 4.712 ( -0.294 0.000 0.121) 0.318 7.425 ( -1.069 0.000 0.035) 1.069 7.452 ( 0.229 0.000 0.434) 0.490 9.984 ( 0.176 0.000 -0.119) 0.212 10.063 ( -1.321 0.000 1.372) 1.905 21.195 ( 2.721 0.000 -4.477) 5.239 21.212 ( 3.417 0.000 -2.948) 4.513 21.418 ( -1.813 0.000 -4.416) 4.774 21.434 ( -1.599 0.000 -5.272) 5.509 ======================= Grid point 94 (47/111) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -2.250 0.000 -1.568) 2.743 0.554 ( 1.934 0.000 2.209) 2.936 0.722 ( 1.729 0.000 0.915) 1.956 0.734 ( 4.304 0.000 0.931) 4.403 0.735 ( -1.916 0.000 -0.692) 2.037 0.838 ( -4.489 0.000 4.587) 6.418 0.879 ( -1.482 0.000 4.419) 4.661 0.982 ( 0.801 0.000 2.224) 2.364 0.987 ( 4.378 0.000 3.048) 5.335 1.095 ( 0.346 0.000 4.397) 4.411 1.112 ( -1.900 0.000 1.243) 2.271 1.172 ( -1.241 0.000 2.618) 2.898 1.269 ( -1.549 0.000 6.366) 6.552 1.298 ( 0.567 0.000 1.478) 1.583 1.342 ( -3.289 0.000 1.564) 3.642 1.522 ( -4.453 0.000 3.903) 5.921 1.560 ( -2.043 0.000 0.371) 2.077 1.681 ( -2.248 0.000 1.063) 2.486 1.718 ( 0.675 0.000 1.854) 1.973 1.757 ( -0.383 0.000 0.299) 0.487 1.905 ( -0.803 0.000 3.822) 3.906 1.930 ( -1.118 0.000 3.570) 3.741 1.987 ( 1.841 0.000 3.351) 3.823 2.110 ( -0.553 0.000 6.602) 6.625 2.184 ( 0.461 0.000 0.723) 0.858 2.189 ( -0.693 0.000 9.917) 9.941 2.459 ( -1.134 0.000 1.854) 2.174 2.467 ( 2.161 0.000 0.154) 2.166 2.659 ( 4.331 0.000 -1.047) 4.455 2.800 ( -1.425 0.000 2.239) 2.654 4.274 ( -0.221 0.000 -0.530) 0.575 4.459 ( -0.323 0.000 -0.185) 0.373 4.516 ( -0.672 0.000 1.472) 1.618 4.706 ( -0.339 0.000 0.157) 0.373 7.402 ( -0.967 0.000 -0.236) 0.995 7.459 ( 0.252 0.000 0.630) 0.679 9.984 ( -0.365 0.000 0.507) 0.624 10.053 ( 0.260 0.000 0.702) 0.748 21.243 ( 3.017 0.000 -4.615) 5.514 21.261 ( 1.929 0.000 -3.108) 3.658 21.368 ( -2.004 0.000 -4.281) 4.727 21.381 ( -2.271 0.000 -5.392) 5.851 ======================= Grid point 95 (48/111) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -3.422 0.000 -1.376) 3.688 0.619 ( 3.101 0.000 4.631) 5.573 0.642 ( -3.802 0.000 -2.564) 4.586 0.735 ( -5.533 0.000 2.356) 6.014 0.761 ( -0.405 0.000 3.142) 3.168 0.823 ( 3.696 0.000 1.393) 3.950 0.866 ( -0.658 0.000 4.052) 4.105 0.989 ( -0.846 0.000 0.838) 1.191 1.084 ( 2.528 0.000 2.927) 3.867 1.099 ( 1.874 0.000 2.007) 2.746 1.106 ( -0.522 0.000 2.686) 2.737 1.128 ( -3.501 0.000 3.934) 5.266 1.249 ( -1.209 0.000 4.680) 4.834 1.308 ( -0.190 0.000 1.430) 1.442 1.313 ( -0.244 0.000 4.013) 4.020 1.416 ( -5.684 0.000 1.991) 6.023 1.549 ( 0.920 0.000 1.638) 1.879 1.640 ( -1.999 0.000 -0.254) 2.015 1.725 ( -0.662 0.000 2.062) 2.166 1.781 ( 2.090 0.000 3.457) 4.040 1.897 ( -0.467 0.000 3.291) 3.324 1.940 ( 0.931 0.000 2.629) 2.789 2.023 ( 0.927 0.000 3.034) 3.173 2.124 ( 0.464 0.000 6.273) 6.290 2.186 ( -0.579 0.000 1.243) 1.371 2.201 ( -0.394 0.000 9.130) 9.138 2.438 ( -0.967 0.000 1.197) 1.539 2.534 ( 3.928 0.000 -0.048) 3.929 2.739 ( 3.459 0.000 -0.250) 3.468 2.774 ( -1.574 0.000 2.616) 3.053 4.275 ( 0.420 0.000 -0.584) 0.719 4.470 ( 1.345 0.000 -0.088) 1.348 4.499 ( -1.275 0.000 1.536) 1.996 4.701 ( -0.178 0.000 0.143) 0.228 7.388 ( -0.253 0.000 -0.133) 0.286 7.464 ( 0.055 0.000 0.558) 0.561 9.973 ( -0.706 0.000 0.531) 0.883 10.076 ( 1.672 0.000 0.724) 1.823 21.259 ( -1.749 0.000 -2.978) 3.453 21.287 ( 0.972 0.000 -3.575) 3.705 21.326 ( -0.446 0.000 -6.439) 6.454 21.327 ( -0.719 0.000 -4.419) 4.477 ======================= Grid point 96 (49/111) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -6.103 0.000 0.515) 6.125 0.585 ( -7.018 0.000 4.217) 8.188 0.601 ( -0.097 0.000 -0.598) 0.606 0.728 ( 3.345 0.000 3.531) 4.864 0.742 ( -1.288 0.000 2.784) 3.067 0.861 ( -0.905 0.000 2.887) 3.026 0.891 ( 1.974 0.000 1.843) 2.701 0.938 ( -3.062 0.000 -0.423) 3.092 1.067 ( -2.194 0.000 4.345) 4.868 1.089 ( -0.441 0.000 1.553) 1.615 1.116 ( 0.152 0.000 3.653) 3.656 1.196 ( 4.332 0.000 3.213) 5.394 1.241 ( -0.694 0.000 4.063) 4.122 1.296 ( -1.283 0.000 3.321) 3.560 1.331 ( -2.657 0.000 -0.154) 2.662 1.340 ( 1.365 0.000 4.159) 4.377 1.597 ( 2.862 0.000 2.994) 4.141 1.608 ( -0.745 0.000 0.075) 0.749 1.700 ( -2.299 0.000 1.838) 2.944 1.838 ( 1.883 0.000 5.360) 5.681 1.897 ( -0.150 0.000 1.107) 1.117 1.976 ( 1.909 0.000 2.028) 2.785 2.043 ( 0.232 0.000 4.861) 4.867 2.151 ( -0.335 0.000 4.059) 4.073 2.169 ( -0.560 0.000 3.593) 3.636 2.216 ( 0.048 0.000 6.457) 6.457 2.429 ( -0.240 0.000 1.556) 1.575 2.603 ( 2.696 0.000 -2.431) 3.630 2.756 ( -0.683 0.000 3.774) 3.835 2.795 ( 2.316 0.000 -0.089) 2.318 4.285 ( 0.533 0.000 -0.059) 0.537 4.475 ( -1.385 0.000 1.339) 1.927 4.506 ( 2.024 0.000 -0.731) 2.152 4.700 ( 0.097 0.000 0.182) 0.206 7.391 ( 0.484 0.000 0.161) 0.510 7.464 ( -0.125 0.000 0.404) 0.423 9.963 ( -0.278 0.000 0.214) 0.351 10.119 ( 2.248 0.000 1.197) 2.547 21.191 ( -3.736 0.000 -3.218) 4.931 21.236 ( -2.898 0.000 -4.082) 5.006 21.304 ( -1.058 0.000 -3.926) 4.066 21.364 ( 3.575 0.000 -5.685) 6.716 ======================= Grid point 97 (50/111) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( -4.804 0.000 4.280) 6.434 0.442 ( -7.760 0.000 3.483) 8.505 0.607 ( -0.009 0.000 1.304) 1.304 0.752 ( 2.065 0.000 1.124) 2.351 0.753 ( -1.884 0.000 2.295) 2.970 0.843 ( -1.365 0.000 2.355) 2.722 0.919 ( 3.744 0.000 2.831) 4.694 0.944 ( 0.225 0.000 6.742) 6.745 1.041 ( -1.704 0.000 4.090) 4.431 1.071 ( -2.013 0.000 2.655) 3.332 1.138 ( 1.251 0.000 3.425) 3.646 1.244 ( -0.169 0.000 -1.011) 1.025 1.244 ( 0.425 0.000 2.108) 2.151 1.298 ( -0.803 0.000 0.829) 1.154 1.318 ( 2.563 0.000 7.021) 7.474 1.364 ( -0.417 0.000 2.545) 2.579 1.621 ( 2.012 0.000 0.321) 2.037 1.644 ( -3.001 0.000 1.872) 3.537 1.667 ( 2.685 0.000 3.133) 4.126 1.867 ( -0.292 0.000 4.636) 4.645 1.892 ( -0.387 0.000 -0.053) 0.391 2.024 ( 2.416 0.000 0.846) 2.560 2.055 ( -0.835 0.000 8.524) 8.565 2.111 ( -2.767 0.000 1.948) 3.384 2.200 ( 1.119 0.000 6.044) 6.146 2.235 ( 0.582 0.000 3.513) 3.561 2.434 ( 0.189 0.000 2.232) 2.240 2.625 ( 0.380 0.000 -3.227) 3.249 2.767 ( 0.657 0.000 3.086) 3.156 2.845 ( 3.042 0.000 0.069) 3.043 4.296 ( 0.518 0.000 0.813) 0.964 4.452 ( -1.194 0.000 1.144) 1.653 4.532 ( 0.509 0.000 -1.969) 2.034 4.705 ( 0.356 0.000 0.350) 0.499 7.405 ( 0.720 0.000 0.462) 0.855 7.462 ( -0.165 0.000 0.178) 0.243 9.965 ( 0.380 0.000 0.027) 0.381 10.172 ( 2.593 0.000 1.434) 2.964 21.106 ( -3.618 0.000 -3.089) 4.757 21.172 ( -2.288 0.000 -3.756) 4.398 21.264 ( -1.865 0.000 -2.402) 3.041 21.423 ( 3.396 0.000 -5.672) 6.611 ======================= Grid point 98 (51/111) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( -0.520 0.000 8.046) 8.062 0.308 ( -5.602 0.000 5.288) 7.703 0.606 ( -0.090 0.000 1.362) 1.365 0.734 ( 0.352 0.000 2.118) 2.147 0.802 ( 0.934 0.000 -0.231) 0.962 0.835 ( 1.166 0.000 2.914) 3.138 0.919 ( -4.173 0.000 11.852) 12.565 1.012 ( -1.844 0.000 1.163) 2.180 1.016 ( -4.054 0.000 3.292) 5.222 1.034 ( 4.596 0.000 3.430) 5.734 1.186 ( 1.983 0.000 4.170) 4.618 1.222 ( -1.065 0.000 -1.079) 1.516 1.278 ( 2.192 0.000 2.180) 3.091 1.307 ( 1.181 0.000 1.850) 2.195 1.314 ( -3.953 0.000 -1.348) 4.177 1.384 ( 1.979 0.000 6.199) 6.508 1.599 ( -1.125 0.000 2.181) 2.454 1.680 ( 3.373 0.000 0.430) 3.400 1.727 ( 2.107 0.000 4.828) 5.267 1.854 ( -1.782 0.000 3.988) 4.368 1.892 ( 0.730 0.000 0.200) 0.757 2.049 ( -1.905 0.000 10.217) 10.393 2.057 ( -3.143 0.000 1.751) 3.598 2.071 ( 1.974 0.000 -0.031) 1.974 2.227 ( -0.236 0.000 5.889) 5.893 2.251 ( 0.155 0.000 2.121) 2.127 2.440 ( -0.510 0.000 2.709) 2.757 2.612 ( -1.077 0.000 -1.393) 1.761 2.789 ( 1.001 0.000 0.446) 1.096 2.921 ( 3.683 0.000 -2.303) 4.344 4.313 ( 0.957 0.000 1.407) 1.702 4.433 ( -0.892 0.000 1.333) 1.604 4.515 ( -0.919 0.000 -1.429) 1.699 4.716 ( 0.477 0.000 0.373) 0.605 7.417 ( 0.216 0.000 0.519) 0.562 7.460 ( 0.039 0.000 0.027) 0.048 9.977 ( 0.708 0.000 -0.047) 0.710 10.223 ( 1.754 0.000 -0.008) 1.754 21.049 ( -0.816 0.000 -1.763) 1.942 21.129 ( -1.053 0.000 -3.322) 3.485 21.245 ( 1.440 0.000 0.584) 1.554 21.470 ( 2.528 0.000 -5.853) 6.376 ======================= Grid point 99 (52/111) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( -2.221 4.029 5.440) 7.124 0.374 ( 2.596 5.790 6.039) 8.760 0.610 ( 2.116 -1.087 0.985) 2.575 0.765 ( -0.940 -3.526 2.271) 4.298 0.780 ( -0.132 0.490 -0.691) 0.857 0.839 ( -2.365 0.047 8.744) 9.059 0.887 ( -3.727 0.798 6.788) 7.785 0.919 ( -3.135 -1.158 0.653) 3.405 0.978 ( -3.683 2.007 2.704) 4.990 1.097 ( 0.812 1.033 1.510) 2.001 1.151 ( -0.739 -1.315 -0.348) 1.548 1.231 ( 0.029 1.120 0.416) 1.195 1.271 ( 3.042 -2.647 -0.565) 4.072 1.304 ( 0.079 -1.503 3.073) 3.421 1.390 ( 1.487 3.146 2.321) 4.183 1.445 ( 1.839 1.456 5.162) 5.670 1.591 ( 1.969 -0.885 3.570) 4.172 1.712 ( -0.304 -2.968 2.581) 3.945 1.782 ( 1.090 1.311 1.275) 2.129 1.836 ( -2.041 1.311 4.747) 5.331 1.934 ( 1.963 -0.241 1.272) 2.351 1.988 ( -2.793 0.167 5.754) 6.398 2.041 ( -1.943 1.111 5.174) 5.637 2.077 ( 2.332 -2.812 3.222) 4.871 2.173 ( -1.474 -2.368 4.509) 5.303 2.258 ( -4.115 -1.620 0.720) 4.481 2.448 ( -0.637 3.384 3.425) 4.857 2.586 ( -1.707 0.443 -0.386) 1.805 2.810 ( -0.444 -0.958 -0.999) 1.453 2.827 ( -2.289 -3.678 1.064) 4.461 4.358 ( 0.369 2.600 1.197) 2.886 4.455 ( 0.335 1.839 0.476) 1.929 4.539 ( 2.293 0.087 -0.953) 2.485 4.693 ( -0.121 -2.696 0.114) 2.701 7.421 ( 0.024 0.261 0.366) 0.450 7.458 ( 0.359 -0.649 0.206) 0.770 9.999 ( 0.088 1.318 0.065) 1.322 10.169 ( -1.939 -3.490 0.592) 4.036 21.030 ( 1.549 -0.132 -1.343) 2.055 21.175 ( 0.120 1.095 -3.349) 3.525 21.359 ( 5.517 1.758 -4.932) 7.606 21.497 ( 0.683 -0.026 -6.500) 6.536 ======================= Grid point 100 (53/111) ======================= q-point: ( 0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 3.851 -0.959 7.347) 8.350 0.449 ( 3.070 2.816 5.964) 7.275 0.658 ( 1.771 0.738 -0.417) 1.963 0.715 ( -4.648 -2.492 -2.728) 5.937 0.748 ( -1.320 -3.365 4.095) 5.462 0.823 ( -2.681 -0.474 5.668) 6.288 0.842 ( -2.721 -3.803 4.477) 6.474 0.859 ( -0.007 1.202 6.068) 6.186 0.939 ( -0.223 2.232 1.591) 2.750 1.115 ( 0.385 2.545 2.031) 3.279 1.177 ( 1.957 -0.900 0.070) 2.155 1.233 ( 0.029 0.895 1.005) 1.346 1.278 ( -2.674 -1.525 3.030) 4.320 1.348 ( 3.696 -2.433 0.632) 4.470 1.393 ( -1.616 2.927 1.642) 3.725 1.487 ( 1.162 2.118 3.474) 4.232 1.647 ( 2.345 -1.171 3.154) 4.101 1.716 ( 0.022 -1.672 2.422) 2.943 1.776 ( -1.503 2.171 3.862) 4.679 1.811 ( -1.620 -0.300 4.288) 4.594 1.916 ( -2.932 0.883 1.290) 3.322 1.978 ( -0.722 -2.126 5.817) 6.236 2.060 ( 2.161 0.954 1.966) 3.073 2.113 ( -1.199 -3.456 5.608) 6.695 2.139 ( -2.724 -1.236 6.859) 7.483 2.220 ( 1.329 -1.838 2.389) 3.294 2.415 ( -3.021 4.848 1.362) 5.872 2.542 ( -2.279 0.620 -0.843) 2.508 2.735 ( -4.729 -0.945 -0.105) 4.824 2.817 ( -0.130 -0.814 -0.064) 0.827 4.354 ( -1.009 2.981 0.590) 3.202 4.478 ( 1.499 1.002 1.120) 2.122 4.569 ( 0.317 -0.334 -1.887) 1.943 4.691 ( -0.005 -2.722 -0.088) 2.723 7.425 ( 0.257 0.183 0.447) 0.547 7.461 ( -0.153 -0.626 0.079) 0.650 9.996 ( -0.306 1.073 -0.023) 1.116 10.122 ( -2.482 -2.034 1.259) 3.447 21.079 ( 3.419 0.506 -1.374) 3.719 21.176 ( 0.957 2.826 -4.422) 5.334 21.422 ( 1.731 -2.964 -5.505) 6.488 21.481 ( -0.530 -1.229 -6.188) 6.331 ======================= Grid point 101 (54/111) ======================= q-point: ( 0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 5.892 -2.667 5.517) 8.501 0.527 ( 3.398 -0.304 5.957) 6.865 0.621 ( -2.646 -1.751 -2.243) 3.885 0.647 ( -2.194 -0.812 -0.851) 2.489 0.776 ( 2.669 -1.740 5.495) 6.352 0.807 ( -1.273 -2.954 4.750) 5.737 0.826 ( 1.484 0.165 2.392) 2.820 0.882 ( 0.658 1.442 3.509) 3.850 0.958 ( 1.022 -0.248 1.480) 1.816 1.115 ( -0.795 3.440 3.129) 4.718 1.187 ( -1.317 -3.065 2.276) 4.038 1.217 ( -2.305 -0.182 2.276) 3.245 1.256 ( -0.720 1.427 2.853) 3.270 1.349 ( -0.897 3.390 0.343) 3.524 1.413 ( 0.921 -2.132 2.585) 3.475 1.508 ( 0.708 -0.230 1.987) 2.122 1.678 ( -0.963 0.197 2.584) 2.765 1.712 ( -0.544 0.286 1.425) 1.551 1.761 ( -1.155 1.763 5.139) 5.554 1.800 ( -0.158 -1.412 4.252) 4.483 1.875 ( -1.325 0.007 1.446) 1.961 1.969 ( -1.323 -0.590 5.109) 5.310 2.045 ( -4.003 -1.158 3.237) 5.277 2.081 ( -1.719 -3.177 4.861) 6.057 2.145 ( 0.759 1.472 6.767) 6.967 2.277 ( 0.537 0.892 6.657) 6.738 2.364 ( -0.169 2.463 -1.663) 2.977 2.505 ( -0.496 0.658 -1.624) 1.821 2.645 ( -3.936 0.708 -1.077) 4.142 2.810 ( -0.644 -1.775 0.870) 2.079 4.332 ( -1.100 2.814 0.315) 3.038 4.498 ( -0.118 -0.367 0.610) 0.722 4.553 ( -0.821 1.556 -1.055) 2.052 4.691 ( -0.048 -2.502 0.123) 2.506 7.431 ( 0.165 -0.039 0.587) 0.612 7.452 ( -0.632 -0.486 -0.083) 0.802 9.990 ( -0.217 0.762 -0.139) 0.805 10.081 ( -1.892 -1.359 1.516) 2.780 21.153 ( 4.046 1.258 -2.047) 4.705 21.191 ( 1.548 2.838 -4.976) 5.934 21.415 ( -0.826 -3.715 -5.052) 6.325 21.452 ( -0.861 -2.186 -5.222) 5.726 ======================= Grid point 102 (55/111) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.404 -1.794 1.156) 2.172 0.589 ( -0.840 -1.644 0.303) 1.871 0.635 ( 3.868 -0.675 2.349) 4.576 0.644 ( 3.629 0.151 3.053) 4.745 0.804 ( -0.365 1.107 4.069) 4.232 0.849 ( 2.719 -2.140 4.810) 5.925 0.868 ( 1.303 1.562 -0.445) 2.082 0.906 ( 1.207 -0.321 3.329) 3.555 0.970 ( 0.018 -0.184 1.477) 1.488 1.108 ( -0.776 2.700 4.553) 5.350 1.164 ( -0.840 -2.423 2.257) 3.416 1.180 ( -2.587 0.425 2.508) 3.628 1.211 ( -2.536 -1.458 2.600) 3.914 1.365 ( -0.072 3.651 3.048) 4.757 1.387 ( -2.580 -1.807 2.305) 3.903 1.540 ( 1.318 -1.140 2.489) 3.039 1.624 ( -3.462 1.123 0.336) 3.655 1.711 ( -1.501 0.251 3.291) 3.626 1.738 ( -1.725 1.109 4.419) 4.872 1.800 ( -0.826 0.922 1.146) 1.687 1.874 ( 0.508 -1.136 2.934) 3.187 1.963 ( -0.422 0.172 4.274) 4.298 1.969 ( -3.396 -0.603 3.776) 5.115 2.068 ( -0.934 -3.238 6.449) 7.276 2.166 ( -0.056 1.444 5.252) 5.447 2.258 ( -1.889 3.761 4.245) 5.978 2.394 ( 1.386 -1.051 0.099) 1.743 2.538 ( 3.618 2.480 0.944) 4.486 2.575 ( -2.198 -0.621 -2.256) 3.211 2.796 ( -0.993 -2.287 1.684) 3.008 4.314 ( -0.687 2.777 -0.101) 2.863 4.478 ( -1.310 -0.551 -0.181) 1.433 4.541 ( -0.521 2.005 0.454) 2.121 4.689 ( -0.233 -2.252 0.422) 2.303 7.425 ( -0.923 0.029 0.063) 0.926 7.446 ( 0.130 -0.524 0.383) 0.662 9.988 ( 0.019 0.434 0.089) 0.444 10.052 ( -1.193 -1.054 1.297) 2.053 21.211 ( 1.874 1.227 -4.884) 5.373 21.229 ( 3.577 2.051 -2.903) 5.043 21.377 ( -1.542 -3.323 -4.987) 6.188 21.422 ( -0.982 -1.735 -4.465) 4.889 ======================= Grid point 103 (56/111) ======================= q-point: ( 0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 1.248 -0.467 1.010) 1.672 0.570 ( -0.118 0.770 0.089) 0.784 0.711 ( 1.415 -0.808 0.723) 1.783 0.728 ( 3.521 -0.414 2.503) 4.340 0.791 ( -1.203 4.284 1.729) 4.774 0.860 ( -2.082 2.001 1.042) 3.069 0.872 ( -1.310 -0.196 4.765) 4.945 0.956 ( 2.008 -1.915 3.511) 4.475 0.993 ( 2.488 0.290 2.202) 3.335 1.102 ( -1.130 1.151 4.002) 4.314 1.128 ( -1.888 0.609 2.255) 3.003 1.161 ( -0.323 -1.063 1.766) 2.086 1.197 ( -0.216 -3.836 3.991) 5.540 1.303 ( -3.615 -2.182 2.941) 5.146 1.392 ( 0.077 4.585 2.793) 5.369 1.514 ( -5.148 0.103 1.898) 5.488 1.581 ( -1.282 1.090 2.906) 3.358 1.670 ( -1.337 -1.710 2.058) 2.991 1.729 ( -0.642 1.650 1.834) 2.549 1.786 ( -0.307 2.456 1.166) 2.737 1.887 ( -0.425 -1.507 3.538) 3.869 1.918 ( -1.408 -0.988 3.567) 3.960 1.994 ( 1.604 0.249 3.650) 3.995 2.070 ( -0.499 -2.986 6.740) 7.389 2.174 ( -0.298 0.397 4.903) 4.928 2.239 ( -1.034 2.553 4.625) 5.383 2.421 ( 1.595 0.209 0.026) 1.609 2.531 ( -1.025 1.639 -0.899) 2.132 2.641 ( 4.873 -0.450 1.164) 5.030 2.782 ( -0.791 -1.859 2.108) 2.919 4.305 ( -0.101 2.940 -0.495) 2.983 4.461 ( -0.224 -0.110 -0.253) 0.356 4.530 ( -0.874 1.432 1.276) 2.107 4.683 ( -0.384 -2.200 0.447) 2.277 7.405 ( -0.834 0.343 -0.158) 0.916 7.451 ( 0.155 -0.762 0.546) 0.950 9.988 ( -0.285 0.364 0.635) 0.785 10.044 ( 0.218 -0.941 0.793) 1.250 21.235 ( 1.501 -0.222 -4.663) 4.903 21.286 ( 2.719 1.893 -3.085) 4.527 21.330 ( -1.816 -2.622 -5.164) 6.070 21.389 ( -1.249 -0.210 -4.381) 4.560 ======================= Grid point 104 (57/111) ======================= q-point: (-0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -2.110 2.417 -1.470) 3.530 0.615 ( 2.515 0.540 4.294) 5.005 0.669 ( -2.762 0.649 0.569) 2.894 0.752 ( -3.658 1.912 1.727) 4.474 0.790 ( -3.433 2.462 2.294) 4.807 0.825 ( 3.372 0.672 1.101) 3.611 0.860 ( -0.989 -0.450 4.443) 4.574 0.978 ( -0.074 -1.111 0.815) 1.380 1.070 ( 2.366 -0.924 2.834) 3.806 1.088 ( -0.352 -0.584 2.617) 2.704 1.105 ( -0.919 0.334 2.373) 2.566 1.156 ( -0.502 1.282 3.337) 3.610 1.210 ( 0.379 -2.777 4.208) 5.055 1.270 ( -0.064 -1.833 2.275) 2.922 1.381 ( -2.796 3.389 5.329) 6.907 1.401 ( -4.559 0.006 -0.121) 4.561 1.565 ( -0.362 1.001 3.115) 3.292 1.661 ( -0.770 -0.306 1.205) 1.462 1.719 ( -0.702 1.264 2.141) 2.584 1.805 ( 1.556 2.262 3.032) 4.090 1.884 ( -0.035 -1.354 3.293) 3.560 1.923 ( 0.607 -0.979 2.621) 2.863 2.032 ( 0.859 0.238 3.932) 4.032 2.083 ( 0.438 -3.144 5.852) 6.658 2.177 ( -0.507 -0.125 4.005) 4.038 2.237 ( -0.314 1.373 5.890) 6.056 2.448 ( 0.266 1.644 0.452) 1.726 2.529 ( 1.437 -0.735 -1.790) 2.411 2.729 ( 3.026 -0.235 2.231) 3.766 2.777 ( 0.086 -0.296 1.512) 1.543 4.308 ( 0.522 3.125 -0.553) 3.216 4.469 ( 0.973 -0.338 -0.403) 1.106 4.513 ( -0.986 1.497 1.596) 2.400 4.677 ( -0.235 -2.276 0.424) 2.327 7.394 ( -0.230 0.522 -0.074) 0.576 7.454 ( 0.006 -0.929 0.486) 1.048 9.981 ( -0.438 0.769 0.656) 1.102 10.064 ( 1.475 -1.186 0.813) 2.060 21.235 ( -1.063 -1.216 -3.635) 3.977 21.285 ( -0.958 -2.259 -5.509) 6.031 21.320 ( 0.671 2.192 -3.312) 4.028 21.358 ( 0.163 1.249 -4.849) 5.010 ======================= Grid point 105 (58/111) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -4.944 4.589 1.473) 6.904 0.596 ( -4.657 1.170 2.765) 5.541 0.651 ( -3.467 4.391 0.694) 5.637 0.706 ( 2.670 -1.721 3.208) 4.515 0.739 ( -1.756 -0.804 3.161) 3.705 0.848 ( -1.280 -1.236 3.693) 4.099 0.889 ( 2.106 0.142 1.567) 2.629 0.957 ( -1.488 1.639 -0.179) 2.221 1.055 ( -1.899 -1.578 2.407) 3.448 1.076 ( -0.660 -0.769 1.955) 2.202 1.139 ( 0.660 1.748 3.730) 4.172 1.188 ( 2.205 -0.732 2.470) 3.391 1.233 ( 1.363 -0.201 4.034) 4.262 1.291 ( 0.649 -0.968 3.492) 3.682 1.326 ( -1.233 0.105 2.488) 2.778 1.354 ( -1.778 1.504 2.502) 3.418 1.570 ( -0.184 -0.424 2.825) 2.863 1.642 ( -1.500 -1.302 2.114) 2.900 1.715 ( 0.048 3.032 2.897) 4.193 1.853 ( 2.035 1.811 3.347) 4.316 1.900 ( 0.690 -0.215 2.114) 2.234 1.949 ( 1.184 -1.575 2.465) 3.156 2.043 ( -0.761 -0.489 5.395) 5.470 2.114 ( 1.064 -2.458 4.554) 5.283 2.168 ( -1.143 0.234 2.688) 2.930 2.265 ( 1.668 1.731 6.542) 6.969 2.430 ( -1.583 1.278 0.085) 2.036 2.572 ( 2.637 -2.188 -2.009) 3.972 2.759 ( -0.111 0.281 3.279) 3.293 2.802 ( 1.641 0.131 -0.032) 1.646 4.321 ( 0.747 3.348 -0.179) 3.435 4.477 ( -0.715 -0.163 0.470) 0.871 4.513 ( 1.146 1.083 0.102) 1.580 4.677 ( 0.082 -2.290 0.453) 2.336 7.396 ( 0.399 0.462 0.161) 0.631 7.454 ( -0.129 -0.971 0.364) 1.045 9.977 ( -0.042 1.328 0.363) 1.378 10.102 ( 1.942 -1.657 1.164) 2.805 21.176 ( -3.371 -0.694 -3.658) 5.023 21.260 ( -0.807 -2.682 -4.778) 5.539 21.287 ( -1.804 3.553 -3.718) 5.450 21.390 ( 3.055 1.431 -4.968) 6.005 ======================= Grid point 106 (59/111) ======================= q-point: (-0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -4.040 5.708 5.035) 8.617 0.474 ( -6.513 3.679 1.737) 7.679 0.601 ( -2.456 -1.236 1.898) 3.341 0.737 ( 1.430 0.820 1.901) 2.516 0.775 ( 2.309 -0.661 2.013) 3.134 0.827 ( -1.331 -0.938 3.856) 4.186 0.915 ( 1.356 0.134 1.398) 1.952 0.955 ( -0.159 1.193 5.517) 5.647 1.020 ( -2.238 -1.581 3.238) 4.242 1.081 ( 0.684 -0.503 1.813) 2.002 1.158 ( 0.269 2.227 3.844) 4.450 1.214 ( 0.892 -1.165 0.749) 1.647 1.263 ( -0.378 0.505 0.134) 0.645 1.314 ( 0.126 1.269 2.276) 2.609 1.328 ( 1.168 0.979 5.638) 5.841 1.348 ( 0.060 -1.252 3.199) 3.436 1.568 ( -0.872 -1.993 0.915) 2.360 1.632 ( 0.880 -1.929 5.685) 6.067 1.730 ( 0.476 2.922 1.308) 3.236 1.881 ( -0.426 1.671 2.724) 3.224 1.915 ( 0.218 1.322 2.591) 2.917 1.978 ( 1.395 -2.850 0.155) 3.177 2.037 ( -1.137 -1.729 7.512) 7.792 2.127 ( -1.192 1.123 3.432) 3.803 2.163 ( 0.209 -1.553 4.069) 4.361 2.322 ( 1.890 5.662 4.192) 7.294 2.404 ( -0.543 -2.296 1.114) 2.609 2.609 ( 1.204 -1.891 -1.587) 2.747 2.769 ( 0.715 0.222 2.901) 2.996 2.825 ( 0.705 -1.382 -0.342) 1.589 4.336 ( 0.724 3.577 0.356) 3.667 4.457 ( -1.199 0.315 0.834) 1.494 4.535 ( 0.598 0.475 -1.238) 1.455 4.682 ( 0.289 -2.290 0.500) 2.362 7.408 ( 0.628 0.257 0.407) 0.791 7.451 ( -0.146 -0.912 0.207) 0.947 9.981 ( 0.419 1.673 0.158) 1.732 10.145 ( 1.924 -2.439 1.385) 3.401 21.095 ( -3.454 -0.198 -3.521) 4.936 21.222 ( -1.787 -3.473 -2.809) 4.811 21.255 ( -0.246 6.543 -4.332) 7.851 21.442 ( 3.112 1.133 -5.577) 6.486 ======================= Grid point 107 (60/111) ======================= q-point: (-0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( -0.851 4.743 6.088) 7.764 0.365 ( -4.280 7.186 3.277) 8.984 0.581 ( 0.190 -2.381 1.584) 2.866 0.759 ( 0.604 2.467 1.896) 3.169 0.787 ( -1.124 -2.887 1.576) 3.477 0.850 ( 1.368 2.193 1.786) 3.142 0.938 ( -3.298 1.610 11.174) 11.762 0.950 ( -0.128 -2.984 2.118) 3.661 0.998 ( 0.321 -1.603 1.804) 2.434 1.093 ( -0.474 2.580 1.292) 2.924 1.173 ( 0.348 -0.790 3.144) 3.261 1.232 ( 0.664 0.449 -0.663) 1.040 1.264 ( 0.180 -0.687 1.399) 1.569 1.284 ( -2.856 -1.445 0.803) 3.300 1.346 ( 1.667 1.869 1.721) 3.039 1.393 ( 1.936 0.515 6.173) 6.490 1.560 ( 0.238 -1.162 2.802) 3.043 1.697 ( 2.433 -2.659 5.529) 6.600 1.738 ( 1.004 2.187 -0.159) 2.412 1.861 ( -1.571 0.298 2.929) 3.337 1.918 ( -0.476 2.386 2.445) 3.450 2.006 ( 0.613 -3.219 2.323) 4.016 2.035 ( -0.227 -1.901 5.387) 5.717 2.091 ( -2.980 2.877 4.082) 5.816 2.177 ( -0.126 -2.599 4.498) 5.197 2.328 ( -1.949 3.210 0.088) 3.756 2.427 ( 1.427 -0.292 4.189) 4.435 2.611 ( -0.612 -0.746 -0.756) 1.226 2.799 ( 1.175 0.641 0.954) 1.644 2.839 ( 0.767 -5.262 0.556) 5.347 4.349 ( 0.326 3.078 0.799) 3.196 4.445 ( 0.179 0.836 0.885) 1.231 4.527 ( -0.672 1.192 -1.197) 1.818 4.690 ( 0.325 -2.487 0.413) 2.541 7.419 ( 0.239 0.158 0.465) 0.546 7.451 ( 0.142 -0.760 0.133) 0.784 9.992 ( 0.535 1.601 0.082) 1.690 10.179 ( 0.795 -3.660 0.910) 3.855 21.033 ( -1.544 -0.002 -2.479) 2.921 21.188 ( -0.875 -2.253 -2.046) 3.167 21.269 ( 3.171 7.399 -3.956) 8.970 21.483 ( 2.191 0.756 -6.215) 6.633 ======================= Grid point 108 (61/111) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -1.863 6.310 2.582) 7.068 0.479 ( -0.931 2.111 3.577) 4.257 0.575 ( 2.210 0.101 2.277) 3.175 0.668 ( -0.925 -5.965 3.770) 7.117 0.805 ( -3.439 1.839 -0.570) 3.941 0.836 ( -3.738 -0.958 2.377) 4.532 0.899 ( -3.681 0.641 4.970) 6.218 0.907 ( -3.182 -0.175 3.956) 5.080 1.032 ( -0.766 3.290 3.694) 5.006 1.093 ( 0.459 -2.421 0.806) 2.593 1.149 ( 0.815 1.848 -0.808) 2.176 1.199 ( 2.374 -3.040 -1.762) 4.241 1.262 ( -0.090 0.669 1.517) 1.661 1.277 ( -0.438 -1.079 2.663) 2.906 1.441 ( 2.232 1.843 3.412) 4.474 1.460 ( 2.851 -0.070 4.741) 5.533 1.598 ( 1.022 1.431 3.624) 4.028 1.645 ( 0.299 -3.268 3.269) 4.632 1.816 ( 1.437 2.711 1.728) 3.521 1.865 ( 1.574 -0.491 2.718) 3.179 1.925 ( -3.176 0.828 7.428) 8.121 1.971 ( -2.252 -2.260 6.988) 7.682 2.035 ( 1.324 0.681 -0.722) 1.654 2.072 ( -1.759 -1.045 0.481) 2.102 2.141 ( -1.901 0.802 5.406) 5.786 2.196 ( -4.388 -3.703 3.559) 6.755 2.521 ( 0.119 3.423 2.615) 4.309 2.572 ( -0.759 -1.796 1.370) 2.383 2.786 ( -1.063 0.728 0.874) 1.557 2.809 ( -0.412 -0.988 0.144) 1.080 4.422 ( 0.824 3.420 0.796) 3.607 4.471 ( 1.120 -1.023 0.278) 1.542 4.558 ( 0.096 2.426 -0.489) 2.476 4.625 ( -0.281 -3.904 -0.095) 3.915 7.429 ( 0.146 0.581 0.293) 0.667 7.443 ( 0.300 -0.794 0.227) 0.879 10.039 ( -0.330 2.662 0.351) 2.705 10.099 ( -0.966 -3.399 0.828) 3.630 21.058 ( 1.874 2.840 -1.469) 3.706 21.130 ( 2.052 -3.996 -1.558) 4.755 21.425 ( 0.783 3.746 -7.938) 8.812 21.481 ( 0.007 -1.780 -7.642) 7.846 ======================= Grid point 109 (62/111) ======================= q-point: ( 0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -1.608 5.565 6.581) 8.767 0.471 ( -1.183 -2.459 5.916) 6.515 0.624 ( 1.134 -1.479 1.586) 2.448 0.665 ( -1.031 -3.743 2.332) 4.529 0.713 ( -3.198 1.318 0.184) 3.464 0.753 ( -3.842 -2.784 0.345) 4.757 0.851 ( -1.501 1.123 5.645) 5.948 0.868 ( -0.485 -0.429 5.063) 5.104 1.016 ( -1.069 4.922 2.128) 5.468 1.105 ( -0.044 -3.580 0.805) 3.670 1.201 ( 2.100 3.042 1.199) 3.886 1.244 ( -0.632 -0.639 1.502) 1.750 1.259 ( -0.112 0.260 2.128) 2.147 1.290 ( 3.922 -2.812 0.048) 4.826 1.459 ( -1.379 3.161 2.366) 4.182 1.502 ( -0.116 -0.898 3.322) 3.443 1.639 ( 2.169 0.728 3.447) 4.137 1.674 ( 1.790 -2.417 3.214) 4.402 1.815 ( -2.238 2.634 3.410) 4.855 1.850 ( -4.078 2.458 6.346) 7.934 1.889 ( -1.062 -1.916 1.883) 2.889 1.933 ( -0.920 -3.086 4.563) 5.585 2.063 ( -0.127 -0.110 1.796) 1.804 2.074 ( -1.072 -0.822 4.536) 4.732 2.134 ( 0.773 0.937 5.969) 6.091 2.172 ( 1.926 -2.551 3.955) 5.085 2.499 ( -2.627 3.237 1.240) 4.350 2.538 ( -2.604 -0.965 0.522) 2.826 2.749 ( -2.569 1.945 -0.047) 3.222 2.790 ( -1.309 -1.917 -0.355) 2.349 4.428 ( -0.632 4.091 0.027) 4.140 4.486 ( 0.227 -1.085 0.222) 1.130 4.571 ( 0.994 1.242 -0.189) 1.602 4.624 ( 0.303 -3.646 0.080) 3.659 7.432 ( 0.072 0.571 0.308) 0.653 7.446 ( -0.065 -0.814 0.161) 0.832 10.028 ( -0.767 2.099 0.323) 2.258 10.075 ( -1.501 -2.550 0.891) 3.091 21.116 ( 3.911 3.091 -1.642) 5.249 21.181 ( 3.245 -2.568 -2.946) 5.080 21.400 ( -1.318 1.298 -6.841) 7.087 21.444 ( -1.630 -2.451 -7.151) 7.733 ======================= Grid point 110 (63/111) ======================= q-point: ( 0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 4.100 0.007 7.179) 8.267 0.470 ( 0.260 -4.923 6.175) 7.901 0.607 ( -0.739 0.609 0.896) 1.311 0.626 ( -1.871 -1.102 0.600) 2.252 0.733 ( 2.638 -1.105 3.742) 4.709 0.744 ( 1.866 -2.012 3.648) 4.565 0.863 ( 1.576 2.007 3.225) 4.112 0.898 ( 1.778 -1.120 3.224) 3.848 0.998 ( -1.123 4.736 1.046) 4.979 1.096 ( -0.872 -4.651 1.205) 4.883 1.188 ( -2.243 2.123 3.374) 4.574 1.212 ( -2.270 -0.472 2.671) 3.537 1.298 ( 0.254 2.904 2.276) 3.698 1.360 ( 1.007 -3.084 1.957) 3.789 1.422 ( -0.957 3.653 1.064) 3.923 1.484 ( -0.918 -2.344 1.421) 2.891 1.692 ( 1.645 1.327 3.401) 4.004 1.718 ( 0.646 -0.494 2.844) 2.958 1.767 ( -2.069 -0.019 4.088) 4.581 1.782 ( -3.105 -1.057 5.042) 6.015 1.890 ( -0.116 2.221 3.691) 4.310 1.942 ( 0.121 -2.455 3.574) 4.338 2.026 ( -3.582 -0.470 3.062) 4.736 2.034 ( -2.540 -1.328 4.424) 5.271 2.194 ( 1.919 2.910 7.022) 7.840 2.248 ( 2.932 -2.513 6.541) 7.596 2.438 ( -2.559 3.610 -1.701) 4.741 2.490 ( -1.335 -1.818 -1.744) 2.851 2.691 ( -2.822 3.440 -0.293) 4.459 2.760 ( -1.555 -3.263 0.138) 3.618 4.406 ( -1.216 4.306 -0.251) 4.481 4.476 ( -1.060 -2.332 -0.226) 2.572 4.587 ( 0.426 1.879 0.193) 1.936 4.633 ( 0.330 -2.916 0.595) 2.995 7.433 ( -0.085 0.250 0.353) 0.441 7.441 ( -0.408 -0.548 0.086) 0.689 10.013 ( -0.732 1.527 0.366) 1.733 10.047 ( -1.359 -1.883 1.010) 2.532 21.195 ( 4.022 2.896 -2.531) 5.565 21.236 ( 2.886 0.341 -4.622) 5.460 21.352 ( -1.666 -0.908 -5.102) 5.443 21.393 ( -1.531 -3.452 -5.746) 6.876 ======================= Grid point 111 (64/111) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 2.456 0.323 2.847) 3.773 0.533 ( 3.005 -3.473 3.277) 5.642 0.627 ( 2.410 0.111 2.091) 3.193 0.637 ( 2.754 -0.731 2.866) 4.042 0.803 ( 3.302 0.008 4.375) 5.482 0.814 ( 3.330 -1.202 4.667) 5.858 0.911 ( 1.343 1.140 2.596) 3.137 0.936 ( 1.030 0.023 1.821) 2.092 0.977 ( -0.585 4.302 -0.130) 4.343 1.081 ( -0.950 -5.064 1.864) 5.479 1.157 ( -1.314 1.549 3.134) 3.735 1.175 ( -1.957 -0.552 3.310) 3.885 1.239 ( -4.908 3.353 2.942) 6.632 1.316 ( -4.540 -3.972 3.301) 6.876 1.450 ( 1.902 3.639 1.775) 4.473 1.508 ( 1.868 -2.215 1.937) 3.485 1.661 ( -3.836 2.390 1.793) 4.862 1.703 ( -3.512 -1.443 3.592) 5.227 1.759 ( 0.604 1.275 3.250) 3.543 1.792 ( 1.175 -1.732 3.710) 4.260 1.885 ( -1.352 2.301 4.201) 4.978 1.934 ( -2.620 -2.250 5.178) 6.224 1.976 ( -0.670 0.748 2.024) 2.259 2.009 ( -0.779 -2.575 4.593) 5.323 2.218 ( -0.996 3.591 6.701) 7.667 2.281 ( -1.284 -1.810 6.119) 6.509 2.422 ( 1.602 3.468 -2.371) 4.496 2.492 ( 1.738 -3.413 -2.889) 4.798 2.648 ( -0.984 4.559 1.137) 4.801 2.733 ( -1.046 -3.992 1.182) 4.292 4.385 ( -0.738 4.054 -0.379) 4.138 4.452 ( -0.985 -2.430 -0.404) 2.653 4.586 ( -0.592 2.393 0.632) 2.545 4.636 ( -0.235 -2.792 0.925) 2.951 7.427 ( -0.568 0.253 0.142) 0.637 7.435 ( -0.166 -0.549 0.262) 0.630 10.002 ( -0.379 1.017 0.570) 1.226 10.027 ( -0.843 -1.399 1.032) 1.932 21.244 ( 1.239 2.263 -4.905) 5.542 21.283 ( 3.004 1.806 -4.221) 5.487 21.312 ( -1.205 -1.600 -4.399) 4.833 21.368 ( 0.220 -3.572 -3.916) 5.305 ======================= Grid point 112 (65/111) ======================= q-point: ( 0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 2.273 1.468 1.567) 3.126 0.572 ( 1.313 -0.768 0.862) 1.749 0.698 ( 2.340 -0.142 1.664) 2.875 0.710 ( 3.244 -1.082 2.202) 4.067 0.863 ( -1.078 0.268 4.641) 4.772 0.866 ( 0.394 1.003 4.829) 4.948 0.905 ( 0.187 2.613 1.309) 2.928 0.944 ( -0.391 0.139 0.497) 0.648 1.002 ( 2.290 1.594 2.081) 3.480 1.071 ( -0.498 -4.215 2.503) 4.927 1.142 ( -1.679 0.208 2.464) 2.989 1.153 ( -1.055 -0.835 2.903) 3.199 1.170 ( -1.297 2.950 3.743) 4.939 1.241 ( -3.015 -3.776 3.528) 5.983 1.478 ( 0.035 3.843 2.944) 4.841 1.524 ( -2.853 -0.208 2.851) 4.038 1.591 ( -1.915 0.650 2.492) 3.210 1.626 ( -3.540 -2.353 1.612) 4.546 1.773 ( -0.127 2.562 3.526) 4.360 1.815 ( 0.196 -0.839 3.762) 3.860 1.870 ( -0.656 0.760 3.063) 3.223 1.898 ( -1.008 -1.266 3.788) 4.119 1.991 ( 0.772 0.084 3.438) 3.525 2.016 ( -0.051 -2.265 5.645) 6.082 2.203 ( -1.480 2.667 4.514) 5.448 2.256 ( -1.939 -1.498 3.676) 4.418 2.460 ( 2.028 3.053 -0.849) 3.762 2.514 ( 0.692 -2.183 -1.990) 3.034 2.672 ( 2.597 2.740 2.624) 4.597 2.731 ( 0.524 -3.076 2.023) 3.719 4.376 ( 0.009 3.910 -0.557) 3.949 4.440 ( -0.083 -2.248 -0.540) 2.314 4.571 ( -0.933 2.690 1.170) 3.078 4.629 ( -0.610 -3.074 0.997) 3.288 7.416 ( -0.502 0.735 0.052) 0.892 7.433 ( -0.123 -0.990 0.323) 1.049 10.000 ( -0.097 0.877 0.861) 1.233 10.021 ( 0.092 -1.233 0.922) 1.543 21.242 ( 0.135 1.065 -4.947) 5.062 21.277 ( -0.994 -2.376 -4.949) 5.579 21.330 ( 2.218 2.252 -3.482) 4.703 21.370 ( 0.577 -1.660 -3.744) 4.136 ======================= Grid point 113 (66/111) ======================= q-point: (-0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.318 2.568 -0.815) 2.713 0.615 ( 2.296 -1.268 1.462) 3.003 0.691 ( -2.993 2.382 2.777) 4.727 0.744 ( -1.146 -2.339 2.511) 3.618 0.835 ( -3.336 1.202 4.170) 5.474 0.848 ( -1.877 -0.163 5.093) 5.430 0.888 ( -0.910 4.344 -0.092) 4.439 0.952 ( 0.767 -1.752 1.005) 2.160 1.060 ( 1.071 -0.477 0.652) 1.342 1.062 ( -0.589 -1.131 2.261) 2.596 1.127 ( 0.402 1.265 2.583) 2.905 1.151 ( 0.446 -1.297 3.575) 3.829 1.187 ( 1.257 0.740 4.038) 4.293 1.224 ( 0.464 -2.621 3.367) 4.292 1.421 ( -5.691 2.484 2.504) 6.695 1.445 ( -3.863 1.274 3.112) 5.122 1.575 ( -0.458 0.545 3.438) 3.511 1.614 ( 0.027 -3.013 1.765) 3.492 1.772 ( -0.771 2.871 4.506) 5.399 1.825 ( 0.078 -2.145 4.331) 4.834 1.881 ( 1.503 2.938 2.027) 3.873 1.923 ( 1.884 -0.000 3.734) 4.183 2.015 ( 0.857 -1.463 2.710) 3.197 2.027 ( -0.250 -1.994 5.700) 6.044 2.187 ( -0.980 1.387 3.996) 4.342 2.228 ( -1.367 -2.085 3.783) 4.530 2.495 ( 1.283 2.365 -0.289) 2.706 2.520 ( 0.619 -0.247 -1.310) 1.470 2.735 ( 2.338 0.754 2.495) 3.501 2.758 ( 1.504 -1.431 1.547) 2.589 4.382 ( 0.673 3.955 -0.641) 4.062 4.445 ( 0.679 -2.247 -0.715) 2.454 4.557 ( -0.686 2.876 1.464) 3.299 4.620 ( -0.440 -3.329 1.042) 3.516 7.409 ( -0.169 1.011 0.087) 1.029 7.432 ( -0.087 -1.256 0.302) 1.295 10.003 ( 0.217 1.443 0.877) 1.703 10.034 ( 0.941 -1.698 0.938) 2.156 21.224 ( -1.041 0.210 -4.358) 4.486 21.244 ( -1.035 -1.716 -5.077) 5.458 21.358 ( 1.114 1.435 -3.543) 3.982 21.372 ( 0.967 0.038 -4.155) 4.266 ======================= Grid point 114 (67/111) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -3.882 4.587 1.290) 6.146 0.607 ( -3.695 -1.389 0.382) 3.966 0.678 ( 0.361 -0.051 3.989) 4.006 0.702 ( -2.973 -1.422 3.245) 4.625 0.753 ( -2.330 3.951 3.793) 5.952 0.815 ( -2.227 -2.245 4.551) 5.542 0.913 ( 1.943 2.597 0.634) 3.305 0.971 ( 0.913 -1.824 0.159) 2.046 1.026 ( -2.101 0.367 1.201) 2.448 1.054 ( -1.630 -1.602 1.080) 2.528 1.166 ( 1.525 0.946 3.021) 3.514 1.178 ( 1.274 -0.340 2.502) 2.828 1.238 ( 2.418 0.690 3.783) 4.543 1.262 ( 2.238 -1.659 3.386) 4.385 1.352 ( -1.544 2.188 3.615) 4.499 1.378 ( -3.000 0.190 3.243) 4.422 1.569 ( -1.207 0.322 3.829) 4.027 1.595 ( -2.056 -2.315 2.813) 4.183 1.773 ( -0.174 2.902 3.649) 4.666 1.843 ( 0.603 -4.007 3.019) 5.053 1.923 ( 1.113 4.292 2.665) 5.173 1.969 ( 1.692 1.811 5.309) 5.859 2.016 ( -1.380 -1.563 2.977) 3.635 2.056 ( 1.707 -3.492 3.265) 5.077 2.187 ( 0.134 1.931 4.052) 4.490 2.240 ( 1.872 -3.041 5.318) 6.406 2.493 ( -1.067 3.729 -0.495) 3.910 2.541 ( 1.251 -1.324 -1.066) 2.110 2.768 ( 0.628 0.748 1.760) 2.013 2.790 ( 1.101 -1.222 0.498) 1.718 4.397 ( 0.812 3.869 -0.543) 3.991 4.456 ( 0.331 -2.062 -0.598) 2.172 4.553 ( 0.055 2.881 1.140) 3.099 4.618 ( 0.012 -3.462 1.028) 3.611 7.409 ( 0.191 0.932 0.186) 0.970 7.431 ( -0.028 -1.225 0.267) 1.254 10.013 ( 0.561 2.263 0.701) 2.434 10.060 ( 1.287 -2.442 1.009) 2.939 21.175 ( -2.658 0.730 -4.083) 4.927 21.206 ( -1.797 -2.372 -4.523) 5.414 21.361 ( 0.775 3.205 -4.233) 5.366 21.400 ( 2.441 -0.662 -4.581) 5.233 ======================= Grid point 115 (68/111) ======================= q-point: (-0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -4.245 4.308 3.889) 7.191 0.528 ( -3.339 -2.350 1.453) 4.334 0.606 ( -4.045 5.171 2.441) 7.005 0.712 ( -0.364 -4.673 2.378) 5.256 0.777 ( 2.337 2.337 3.098) 4.530 0.814 ( 1.793 -1.153 4.907) 5.350 0.937 ( -0.374 2.033 0.445) 2.114 0.980 ( -0.736 -1.648 0.105) 1.808 0.992 ( -1.305 1.751 4.876) 5.342 1.044 ( 0.927 -2.878 1.589) 3.415 1.200 ( 1.234 1.496 2.855) 3.451 1.209 ( 1.515 0.294 1.642) 2.254 1.270 ( -0.463 0.761 0.523) 1.033 1.305 ( -0.456 -2.357 1.420) 2.789 1.343 ( -0.266 1.544 4.282) 4.560 1.356 ( 0.234 0.584 4.865) 4.906 1.554 ( -0.554 0.583 3.922) 4.004 1.587 ( 0.851 -2.355 5.828) 6.343 1.770 ( -0.761 2.375 1.368) 2.844 1.845 ( -1.122 -4.927 1.326) 5.224 1.936 ( -0.204 2.711 4.927) 5.627 1.991 ( -1.057 -2.759 5.746) 6.462 2.016 ( 1.167 4.078 1.674) 4.560 2.091 ( 0.932 -3.413 3.419) 4.920 2.208 ( 0.217 4.672 3.987) 6.146 2.308 ( 2.259 -4.901 4.584) 7.080 2.464 ( -1.088 5.739 0.023) 5.841 2.554 ( 0.345 -3.552 -0.197) 3.574 2.780 ( 0.375 0.916 1.257) 1.600 2.801 ( 0.154 -1.166 -0.125) 1.182 4.409 ( 0.442 3.284 -0.272) 3.324 4.452 ( -0.559 -1.085 -0.038) 1.221 4.562 ( 0.428 2.438 0.270) 2.490 4.623 ( 0.224 -3.424 0.749) 3.512 7.416 ( 0.380 0.620 0.297) 0.786 7.432 ( 0.064 -0.962 0.229) 0.991 10.027 ( 0.638 2.871 0.525) 2.988 10.088 ( 1.094 -3.190 1.026) 3.525 21.107 ( -2.886 1.453 -3.437) 4.717 21.153 ( -2.214 -3.164 -3.098) 4.951 21.377 ( 1.961 5.136 -5.499) 7.776 21.442 ( 2.804 -1.468 -5.714) 6.532 ======================= Grid point 116 (69/111) ======================= q-point: (-0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -0.731 4.935 2.830) 5.735 0.495 ( -0.768 -1.092 1.130) 1.749 0.554 ( -1.452 5.352 3.495) 6.555 0.691 ( -1.920 -6.318 3.738) 7.588 0.826 ( 1.186 3.730 1.239) 4.105 0.892 ( 3.254 -1.837 2.094) 4.283 0.903 ( -2.673 1.391 1.687) 3.453 0.942 ( -2.229 -1.539 4.486) 5.240 1.008 ( 0.917 3.029 4.084) 5.167 1.080 ( 1.528 -3.463 1.880) 4.226 1.190 ( -3.396 2.396 0.441) 4.180 1.238 ( -4.418 -1.787 -0.994) 4.869 1.246 ( 1.274 0.506 1.404) 1.962 1.262 ( 0.714 -0.730 2.333) 2.546 1.378 ( 2.429 1.256 3.488) 4.432 1.394 ( 2.109 -0.414 4.849) 5.304 1.573 ( 0.734 2.136 4.487) 5.023 1.630 ( 0.912 -3.528 5.214) 6.361 1.771 ( 1.450 2.110 0.782) 2.677 1.831 ( 0.274 -3.417 1.898) 3.918 1.944 ( -0.554 1.449 6.186) 6.378 1.985 ( -1.074 -2.133 5.824) 6.295 2.030 ( -0.142 3.569 0.660) 3.632 2.105 ( -0.545 -3.353 2.253) 4.077 2.185 ( -3.180 4.949 4.181) 7.217 2.293 ( -4.395 -5.176 1.795) 7.024 2.485 ( 2.251 4.616 2.692) 5.798 2.566 ( 0.694 -3.484 1.250) 3.766 2.790 ( 0.181 0.332 1.332) 1.385 2.806 ( 0.414 -0.575 0.126) 0.719 4.412 ( -0.023 2.892 0.343) 2.913 4.449 ( 0.560 -0.733 0.408) 1.008 4.564 ( -0.252 2.685 -0.436) 2.731 4.628 ( 0.036 -3.565 0.281) 3.576 7.424 ( 0.283 0.433 0.337) 0.618 7.436 ( 0.273 -0.726 0.219) 0.806 10.038 ( 0.297 3.006 0.411) 3.048 10.105 ( 0.237 -3.693 0.932) 3.816 21.056 ( -1.142 2.227 -2.319) 3.412 21.117 ( -0.485 -3.827 -1.604) 4.178 21.408 ( 2.382 5.510 -7.152) 9.337 21.478 ( 1.987 -1.659 -7.013) 7.475 ======================= Grid point 135 (70/111) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.250 0.000 5.285) 5.291 0.437 ( 2.386 0.000 6.577) 6.997 0.610 ( 0.231 0.000 -1.160) 1.183 0.740 ( 1.096 0.000 -2.751) 2.961 0.783 ( -0.263 0.000 -1.094) 1.126 0.919 ( 2.415 0.000 1.382) 2.783 0.937 ( -3.291 0.000 -0.986) 3.436 0.959 ( -4.585 0.000 0.260) 4.592 1.074 ( -3.509 0.000 5.872) 6.840 1.126 ( 2.743 0.000 1.316) 3.042 1.194 ( -3.918 0.000 3.024) 4.949 1.232 ( 0.094 0.000 1.949) 1.951 1.317 ( 3.547 0.000 0.398) 3.569 1.379 ( 0.856 0.000 2.332) 2.484 1.381 ( 1.255 0.000 2.116) 2.460 1.470 ( -0.740 0.000 0.750) 1.054 1.673 ( 1.132 0.000 2.898) 3.112 1.756 ( 1.708 0.000 0.916) 1.938 1.821 ( -0.606 0.000 1.762) 1.864 1.889 ( -0.917 0.000 1.913) 2.121 1.929 ( 1.367 0.000 -0.366) 1.415 2.037 ( -3.517 0.000 2.920) 4.571 2.117 ( 4.254 0.000 -0.751) 4.320 2.185 ( -1.277 0.000 5.272) 5.424 2.313 ( -0.980 0.000 4.514) 4.619 2.318 ( -1.028 0.000 3.983) 4.113 2.499 ( -2.735 0.000 6.579) 7.125 2.567 ( -1.495 0.000 -0.446) 1.561 2.798 ( 0.709 0.000 -0.440) 0.834 2.803 ( -2.782 0.000 -6.241) 6.833 4.358 ( -0.055 0.000 1.201) 1.202 4.459 ( 0.627 0.000 1.043) 1.216 4.513 ( 1.275 0.000 -0.986) 1.612 4.721 ( -0.138 0.000 -0.034) 0.142 7.426 ( -0.013 0.000 0.323) 0.323 7.468 ( 0.239 0.000 0.122) 0.268 9.986 ( 0.178 0.000 -0.044) 0.184 10.199 ( -1.364 0.000 -0.547) 1.470 21.033 ( 0.881 0.000 -0.947) 1.294 21.062 ( 0.183 0.000 -2.173) 2.181 21.312 ( 3.357 0.000 -1.851) 3.833 21.393 ( 0.947 0.000 -4.252) 4.356 ======================= Grid point 136 (71/111) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 4.975 0.000 4.802) 6.914 0.511 ( 3.494 0.000 4.337) 5.570 0.616 ( 0.495 0.000 -2.323) 2.375 0.673 ( -5.203 0.000 -3.750) 6.413 0.789 ( 0.996 0.000 -0.901) 1.343 0.869 ( -3.985 0.000 0.954) 4.097 0.938 ( 1.633 0.000 1.927) 2.526 0.956 ( 0.720 0.000 2.681) 2.776 1.015 ( -3.164 0.000 4.702) 5.668 1.152 ( -1.394 0.000 2.996) 3.305 1.197 ( 3.775 0.000 2.023) 4.283 1.248 ( 0.784 0.000 1.733) 1.902 1.339 ( -1.952 0.000 1.082) 2.232 1.368 ( -2.841 0.000 0.515) 2.888 1.414 ( 2.734 0.000 0.308) 2.751 1.479 ( 1.638 0.000 0.878) 1.858 1.712 ( 1.872 0.000 1.625) 2.479 1.772 ( -0.049 0.000 -0.387) 0.390 1.785 ( -3.288 0.000 1.789) 3.743 1.881 ( -0.494 0.000 2.573) 2.620 1.925 ( -1.290 0.000 0.862) 1.551 2.019 ( 1.098 0.000 -0.490) 1.202 2.159 ( -2.718 0.000 5.273) 5.932 2.188 ( 1.501 0.000 0.110) 1.505 2.308 ( -0.614 0.000 5.858) 5.890 2.318 ( 0.744 0.000 2.852) 2.948 2.443 ( -3.882 0.000 10.555) 11.246 2.521 ( -2.560 0.000 0.125) 2.563 2.707 ( -4.842 0.000 -3.559) 6.010 2.822 ( 1.364 0.000 -0.289) 1.394 4.343 ( -1.353 0.000 0.876) 1.612 4.486 ( 1.584 0.000 0.474) 1.654 4.525 ( -0.060 0.000 -1.913) 1.914 4.718 ( -0.124 0.000 0.044) 0.132 7.432 ( 0.479 0.000 0.343) 0.589 7.467 ( -0.403 0.000 -0.159) 0.433 9.983 ( -0.355 0.000 -0.208) 0.412 10.164 ( -1.934 0.000 1.036) 2.194 21.056 ( 1.768 0.000 -1.707) 2.458 21.069 ( 1.000 0.000 -2.298) 2.506 21.359 ( 1.718 0.000 -4.652) 4.959 21.392 ( -0.012 0.000 -4.479) 4.479 ======================= Grid point 137 (72/111) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.041 0.000 2.926) 2.926 0.584 ( 1.615 0.000 -1.358) 2.111 0.594 ( 3.206 0.000 -0.609) 3.263 0.621 ( 1.657 0.000 1.044) 1.958 0.773 ( -2.286 0.000 -2.355) 3.282 0.856 ( 2.525 0.000 1.962) 3.197 0.948 ( -0.770 0.000 3.090) 3.185 0.966 ( -0.189 0.000 3.458) 3.463 0.994 ( -0.252 0.000 1.697) 1.715 1.139 ( -0.559 0.000 2.462) 2.524 1.251 ( -1.908 0.000 1.268) 2.291 1.256 ( -0.219 0.000 0.782) 0.813 1.301 ( -0.031 0.000 2.835) 2.835 1.312 ( -1.437 0.000 0.597) 1.557 1.463 ( 1.621 0.000 0.288) 1.647 1.521 ( 2.133 0.000 -0.378) 2.167 1.688 ( -4.319 0.000 -1.318) 4.516 1.754 ( -1.405 0.000 -2.572) 2.930 1.757 ( -0.140 0.000 3.553) 3.556 1.885 ( -0.049 0.000 5.056) 5.056 1.916 ( 0.438 0.000 1.519) 1.581 2.041 ( 0.763 0.000 -2.241) 2.367 2.093 ( -4.683 0.000 4.254) 6.327 2.178 ( -1.515 0.000 2.578) 2.990 2.299 ( -3.359 0.000 2.145) 3.986 2.321 ( 0.283 0.000 7.270) 7.276 2.469 ( 3.443 0.000 10.714) 11.254 2.477 ( -1.692 0.000 0.436) 1.747 2.608 ( -3.995 0.000 -2.132) 4.528 2.843 ( 0.593 0.000 0.390) 0.710 4.314 ( -1.566 0.000 0.419) 1.621 4.504 ( -1.428 0.000 -1.212) 1.873 4.516 ( 1.205 0.000 0.180) 1.219 4.717 ( -0.057 0.000 0.042) 0.071 7.440 ( -0.212 0.000 -0.030) 0.215 7.455 ( -0.242 0.000 0.065) 0.251 9.977 ( -0.075 0.000 -0.329) 0.338 10.127 ( -1.992 0.000 1.745) 2.648 21.090 ( 1.687 0.000 -2.520) 3.033 21.099 ( 2.911 0.000 -2.409) 3.778 21.360 ( -0.238 0.000 -4.948) 4.954 21.372 ( -0.869 0.000 -4.621) 4.702 ======================= Grid point 138 (73/111) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.954 0.000 1.268) 1.587 0.557 ( -2.006 0.000 -3.203) 3.780 0.690 ( 2.497 0.000 0.608) 2.570 0.694 ( 3.578 0.000 3.654) 5.114 0.731 ( -0.590 0.000 -1.823) 1.916 0.930 ( 3.903 0.000 1.886) 4.335 0.953 ( -0.425 0.000 1.777) 1.827 0.972 ( -0.048 0.000 3.603) 3.604 0.976 ( -0.769 0.000 -0.045) 0.771 1.141 ( 0.146 0.000 1.923) 1.928 1.185 ( -3.728 0.000 0.510) 3.763 1.224 ( -1.541 0.000 0.943) 1.807 1.312 ( 0.401 0.000 1.642) 1.690 1.328 ( 0.828 0.000 1.445) 1.666 1.461 ( -2.528 0.000 2.721) 3.714 1.556 ( 1.403 0.000 -2.062) 2.494 1.603 ( -2.954 0.000 -1.784) 3.451 1.708 ( -2.381 0.000 -3.095) 3.905 1.750 ( -0.836 0.000 2.444) 2.583 1.880 ( -2.910 0.000 6.739) 7.341 1.942 ( 1.255 0.000 2.122) 2.466 2.025 ( -1.552 0.000 2.458) 2.907 2.026 ( -1.744 0.000 0.175) 1.753 2.175 ( 0.734 0.000 1.780) 1.925 2.247 ( -2.149 0.000 4.474) 4.963 2.347 ( 0.371 0.000 7.636) 7.645 2.460 ( -0.008 0.000 1.377) 1.377 2.525 ( -2.436 0.000 1.309) 2.766 2.583 ( 3.789 0.000 3.891) 5.431 2.846 ( -0.426 0.000 0.836) 0.939 4.285 ( -1.302 0.000 -0.033) 1.303 4.473 ( -1.224 0.000 -0.232) 1.246 4.535 ( 0.552 0.000 0.382) 0.671 4.714 ( -0.228 0.000 0.034) 0.230 7.419 ( -1.231 0.000 -0.500) 1.329 7.462 ( 0.432 0.000 0.526) 0.681 9.981 ( 0.551 0.000 -0.225) 0.595 10.092 ( -1.847 0.000 1.549) 2.411 21.124 ( 2.292 0.000 -2.643) 3.499 21.157 ( 3.218 0.000 -2.586) 4.128 21.333 ( -1.263 0.000 -4.253) 4.436 21.335 ( -1.664 0.000 -4.714) 4.999 ======================= Grid point 139 (74/111) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -1.693 0.000 -2.159) 2.743 0.612 ( 3.720 0.000 3.687) 5.237 0.662 ( -2.585 0.000 -3.584) 4.419 0.757 ( 2.031 0.000 1.557) 2.559 0.773 ( 2.133 0.000 1.791) 2.785 0.891 ( -4.251 0.000 0.959) 4.358 0.968 ( -1.094 0.000 4.710) 4.836 0.997 ( 0.906 0.000 -0.428) 1.002 1.024 ( 4.456 0.000 0.385) 4.473 1.126 ( -1.869 0.000 0.283) 1.890 1.152 ( 0.267 0.000 1.958) 1.976 1.201 ( -1.089 0.000 0.540) 1.215 1.326 ( 0.456 0.000 1.699) 1.759 1.328 ( -1.531 0.000 0.505) 1.612 1.407 ( -2.062 0.000 4.976) 5.386 1.555 ( -2.201 0.000 -0.505) 2.258 1.562 ( -0.937 0.000 -1.320) 1.619 1.644 ( -2.332 0.000 -2.754) 3.609 1.748 ( 0.131 0.000 1.508) 1.514 1.827 ( -1.823 0.000 4.457) 4.815 1.965 ( 0.410 0.000 2.457) 2.491 1.992 ( -1.597 0.000 2.321) 2.817 2.037 ( 1.053 0.000 2.138) 2.383 2.200 ( 0.978 0.000 1.133) 1.496 2.230 ( -0.857 0.000 4.953) 5.027 2.367 ( -0.303 0.000 7.630) 7.636 2.480 ( -1.717 0.000 0.362) 1.755 2.485 ( 1.939 0.000 1.433) 2.411 2.670 ( 3.625 0.000 2.202) 4.241 2.833 ( -0.988 0.000 1.161) 1.524 4.265 ( -0.490 0.000 -0.346) 0.600 4.458 ( -0.141 0.000 0.140) 0.199 4.539 ( -0.252 0.000 0.880) 0.916 4.708 ( -0.297 0.000 0.069) 0.304 7.396 ( -0.813 0.000 -0.313) 0.872 7.470 ( 0.214 0.000 0.471) 0.517 9.992 ( 0.230 0.000 0.250) 0.340 10.068 ( -0.468 0.000 0.770) 0.901 21.169 ( 2.773 0.000 -2.726) 3.889 21.208 ( 2.110 0.000 -2.266) 3.096 21.283 ( -2.313 0.000 -4.561) 5.114 21.291 ( -1.829 0.000 -3.516) 3.963 ======================= Grid point 140 (75/111) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -1.961 0.000 -0.547) 2.036 0.605 ( -1.831 0.000 -1.067) 2.120 0.709 ( 4.323 0.000 4.071) 5.939 0.737 ( -4.700 0.000 -1.180) 4.846 0.794 ( -0.561 0.000 0.769) 0.952 0.859 ( 1.940 0.000 1.888) 2.707 0.944 ( -1.926 0.000 3.788) 4.250 0.985 ( -2.120 0.000 -0.691) 2.230 1.106 ( -0.021 0.000 -0.635) 0.635 1.117 ( 4.115 0.000 -0.119) 4.117 1.141 ( -1.663 0.000 1.512) 2.248 1.193 ( -0.082 0.000 2.183) 2.185 1.292 ( -1.168 0.000 1.761) 2.113 1.336 ( 0.096 0.000 1.792) 1.794 1.410 ( 0.322 0.000 4.959) 4.969 1.462 ( -5.305 0.000 2.552) 5.886 1.566 ( 1.836 0.000 -0.980) 2.081 1.624 ( -0.232 0.000 -0.956) 0.984 1.752 ( -0.276 0.000 1.077) 1.112 1.854 ( 3.278 0.000 3.118) 4.524 1.963 ( -1.460 0.000 3.267) 3.578 1.982 ( 0.221 0.000 1.598) 1.613 2.055 ( 0.294 0.000 1.085) 1.124 2.208 ( -0.493 0.000 1.358) 1.445 2.236 ( 0.269 0.000 4.144) 4.153 2.372 ( -0.946 0.000 7.389) 7.449 2.460 ( -0.489 0.000 1.142) 1.243 2.529 ( 1.922 0.000 -0.580) 2.008 2.735 ( 2.588 0.000 -0.298) 2.606 2.818 ( -0.632 0.000 1.903) 2.005 4.266 ( 0.579 0.000 -0.373) 0.689 4.467 ( 0.948 0.000 -0.181) 0.965 4.528 ( -1.081 0.000 1.370) 1.745 4.705 ( -0.083 0.000 0.224) 0.239 7.388 ( 0.038 0.000 0.072) 0.082 7.473 ( -0.049 0.000 0.341) 0.344 9.984 ( -0.892 0.000 0.573) 1.060 10.084 ( 1.799 0.000 0.099) 1.802 21.208 ( -2.148 0.000 -2.215) 3.086 21.213 ( -0.212 0.000 -4.900) 4.905 21.231 ( 0.652 0.000 -2.040) 2.141 21.261 ( 0.065 0.000 -2.299) 2.300 ======================= Grid point 141 (76/111) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -2.886 0.000 2.908) 4.097 0.600 ( 1.240 0.000 0.868) 1.514 0.611 ( -6.324 0.000 -0.762) 6.370 0.764 ( -1.885 0.000 -0.062) 1.886 0.793 ( 1.449 0.000 1.999) 2.469 0.913 ( -1.971 0.000 2.250) 2.991 0.923 ( 0.242 0.000 1.695) 1.712 0.932 ( 1.910 0.000 0.395) 1.951 1.094 ( -0.541 0.000 -1.283) 1.392 1.118 ( -0.763 0.000 2.082) 2.217 1.197 ( 3.283 0.000 -1.158) 3.482 1.200 ( 0.211 0.000 3.592) 3.598 1.287 ( -0.315 0.000 1.838) 1.865 1.339 ( -0.490 0.000 1.272) 1.363 1.400 ( -1.143 0.000 5.216) 5.339 1.429 ( 0.199 0.000 4.793) 4.798 1.620 ( 2.922 0.000 -1.613) 3.338 1.621 ( 0.167 0.000 1.435) 1.445 1.741 ( -0.919 0.000 2.661) 2.815 1.932 ( -2.068 0.000 2.543) 3.278 1.933 ( 2.145 0.000 3.879) 4.432 1.997 ( 0.897 0.000 0.369) 0.970 2.071 ( 2.142 0.000 -0.308) 2.164 2.189 ( -1.642 0.000 1.392) 2.152 2.259 ( 1.099 0.000 3.513) 3.681 2.364 ( -1.545 0.000 6.959) 7.129 2.466 ( 0.628 0.000 2.414) 2.495 2.552 ( 0.801 0.000 -2.978) 3.083 2.776 ( 1.824 0.000 -2.328) 2.957 2.817 ( -0.133 0.000 2.519) 2.523 4.284 ( 1.189 0.000 -0.010) 1.189 4.490 ( 1.192 0.000 -0.878) 1.480 4.505 ( -1.483 0.000 1.658) 2.225 4.706 ( 0.187 0.000 0.393) 0.435 7.398 ( 0.774 0.000 0.482) 0.912 7.470 ( -0.285 0.000 0.162) 0.328 9.969 ( -0.544 0.000 0.366) 0.656 10.130 ( 2.493 0.000 -0.083) 2.495 21.138 ( -3.684 0.000 -1.989) 4.187 21.157 ( -2.422 0.000 -3.889) 4.581 21.259 ( -0.231 0.000 -0.835) 0.866 21.282 ( 3.067 0.000 -2.615) 4.030 ======================= Grid point 142 (77/111) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -1.772 0.000 6.370) 6.612 0.491 ( -5.408 0.000 2.247) 5.856 0.629 ( 0.271 0.000 1.275) 1.304 0.748 ( -3.466 0.000 -2.520) 4.285 0.750 ( 1.483 0.000 -0.780) 1.676 0.875 ( -1.919 0.000 0.933) 2.134 0.974 ( 4.151 0.000 1.885) 4.559 1.002 ( 2.376 0.000 1.357) 2.736 1.080 ( -0.782 0.000 -1.705) 1.876 1.126 ( 1.057 0.000 3.489) 3.646 1.214 ( -0.211 0.000 3.454) 3.461 1.236 ( 0.695 0.000 0.769) 1.037 1.286 ( 0.331 0.000 2.401) 2.423 1.324 ( -0.543 0.000 1.110) 1.236 1.418 ( -3.069 0.000 3.001) 4.292 1.431 ( 1.985 0.000 4.600) 5.010 1.642 ( -0.078 0.000 -0.398) 0.406 1.646 ( 1.902 0.000 2.318) 2.999 1.761 ( 2.012 0.000 4.530) 4.957 1.901 ( -1.218 0.000 0.983) 1.565 1.939 ( -1.455 0.000 2.478) 2.873 2.016 ( 1.084 0.000 -0.953) 1.444 2.140 ( 3.297 0.000 1.610) 3.669 2.155 ( -2.006 0.000 2.229) 2.999 2.294 ( 1.356 0.000 3.280) 3.550 2.345 ( -1.818 0.000 6.197) 6.458 2.492 ( 1.005 0.000 3.763) 3.895 2.559 ( 0.974 0.000 -3.595) 3.725 2.805 ( 2.054 0.000 -4.553) 4.994 2.816 ( -0.673 0.000 2.011) 2.120 4.310 ( 1.310 0.000 0.662) 1.468 4.480 ( -1.348 0.000 1.668) 2.145 4.503 ( 0.188 0.000 -1.134) 1.149 4.713 ( 0.349 0.000 0.355) 0.498 7.417 ( 0.852 0.000 0.739) 1.128 7.463 ( -0.361 0.000 -0.059) 0.366 9.967 ( 0.229 0.000 0.174) 0.287 10.179 ( 2.251 0.000 -0.516) 2.310 21.064 ( -2.911 0.000 -1.139) 3.126 21.106 ( -1.765 0.000 -3.020) 3.498 21.250 ( -0.391 0.000 0.627) 0.739 21.334 ( 2.725 0.000 -3.197) 4.201 ======================= Grid point 143 (78/111) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.439 0.000 7.641) 7.654 0.409 ( -3.497 0.000 5.291) 6.342 0.618 ( -0.824 0.000 -0.064) 0.826 0.707 ( 0.779 0.000 -3.323) 3.414 0.790 ( 0.779 0.000 -0.820) 1.131 0.864 ( 1.618 0.000 0.664) 1.749 1.005 ( -1.542 0.000 -0.598) 1.654 1.040 ( -2.998 0.000 -0.949) 3.145 1.064 ( 3.419 0.000 0.512) 3.457 1.133 ( -3.245 0.000 7.492) 8.165 1.229 ( 2.783 0.000 -1.080) 2.985 1.236 ( -0.721 0.000 2.180) 2.296 1.306 ( -4.081 0.000 2.911) 5.013 1.340 ( 1.726 0.000 1.449) 2.253 1.341 ( 0.462 0.000 3.015) 3.051 1.471 ( 0.687 0.000 2.648) 2.735 1.650 ( 0.523 0.000 3.081) 3.125 1.703 ( 2.877 0.000 1.883) 3.439 1.808 ( 1.263 0.000 2.863) 3.129 1.898 ( 0.932 0.000 0.632) 1.126 1.911 ( -1.568 0.000 1.735) 2.339 2.046 ( 2.427 0.000 -1.187) 2.701 2.111 ( -3.249 0.000 2.711) 4.232 2.185 ( 0.420 0.000 3.870) 3.893 2.320 ( 0.207 0.000 3.379) 3.385 2.325 ( -1.383 0.000 4.985) 5.173 2.514 ( -0.196 0.000 4.985) 4.989 2.574 ( 0.897 0.000 -2.348) 2.514 2.801 ( -0.862 0.000 0.759) 1.149 2.831 ( 1.366 0.000 -6.952) 7.085 4.340 ( 1.260 0.000 1.181) 1.727 4.460 ( -0.882 0.000 1.465) 1.710 4.499 ( 0.056 0.000 -0.399) 0.403 4.720 ( 0.248 0.000 0.075) 0.259 7.428 ( -0.054 0.000 0.530) 0.533 7.461 ( 0.259 0.000 0.061) 0.266 9.977 ( 0.619 0.000 0.054) 0.621 10.209 ( 0.709 0.000 -1.184) 1.380 21.027 ( -0.424 0.000 -0.526) 0.676 21.073 ( -0.792 0.000 -2.395) 2.522 21.259 ( 1.422 0.000 1.028) 1.755 21.374 ( 1.944 0.000 -3.809) 4.276 ======================= Grid point 144 (79/111) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -0.402 1.777 5.070) 5.388 0.484 ( 1.800 3.912 5.350) 6.867 0.615 ( 1.387 -0.178 -0.300) 1.431 0.726 ( -0.874 -0.752 -3.614) 3.793 0.773 ( -0.506 -1.203 -0.608) 1.439 0.897 ( -3.213 -2.845 -0.008) 4.291 0.934 ( 1.948 1.508 1.759) 3.027 0.990 ( -4.433 1.645 0.237) 4.734 1.057 ( -2.378 -1.101 3.468) 4.347 1.123 ( 2.105 -0.113 2.167) 3.023 1.167 ( -3.236 -1.550 2.274) 4.248 1.248 ( 1.635 -0.912 1.320) 2.291 1.279 ( 1.902 -1.329 0.918) 2.495 1.349 ( -0.234 -1.503 1.530) 2.157 1.429 ( 0.941 3.256 1.568) 3.734 1.511 ( 0.997 2.083 1.896) 2.988 1.662 ( 1.227 -0.649 3.387) 3.660 1.740 ( 0.258 -2.285 1.281) 2.633 1.807 ( 0.336 0.234 0.253) 0.481 1.914 ( -0.509 1.843 3.376) 3.880 1.943 ( 0.700 1.382 -0.106) 1.553 2.050 ( -4.318 1.038 1.842) 4.808 2.097 ( 4.298 -1.875 -0.345) 4.702 2.151 ( -0.850 -3.300 4.612) 5.735 2.289 ( -0.644 -1.443 6.474) 6.664 2.314 ( -2.395 -0.936 3.637) 4.454 2.525 ( -1.059 2.239 4.669) 5.285 2.576 ( -1.400 0.785 -0.504) 1.682 2.774 ( -1.069 -0.605 -2.989) 3.231 2.823 ( -0.858 0.458 -0.705) 1.201 4.381 ( -0.031 2.265 1.055) 2.499 4.466 ( 0.530 0.893 0.512) 1.158 4.523 ( 1.130 0.724 -0.666) 1.499 4.693 ( -0.198 -2.728 -0.033) 2.736 7.427 ( 0.008 0.203 0.295) 0.358 7.461 ( 0.242 -0.632 0.136) 0.690 10.000 ( 0.064 1.482 0.034) 1.484 10.171 ( -1.103 -2.617 -0.135) 2.844 21.016 ( 1.464 -0.133 -0.070) 1.472 21.104 ( -0.483 1.918 -3.686) 4.183 21.292 ( 2.988 -1.272 -2.297) 3.978 21.386 ( 0.435 -0.903 -4.639) 4.746 ======================= Grid point 145 (80/111) ======================= q-point: ( 0.11 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 3.990 -0.103 5.592) 6.870 0.542 ( 2.672 2.305 3.867) 5.235 0.631 ( 0.199 1.313 -2.081) 2.468 0.650 ( -4.734 -1.914 -3.527) 6.206 0.774 ( 1.190 -1.539 0.082) 1.947 0.860 ( -1.296 -3.013 2.337) 4.028 0.911 ( -2.724 0.222 1.624) 3.179 0.968 ( 0.837 0.496 2.224) 2.427 1.004 ( -3.222 -0.372 4.311) 5.395 1.146 ( -0.058 -0.709 1.406) 1.576 1.192 ( 3.600 0.080 1.440) 3.878 1.262 ( 0.036 0.945 1.721) 1.964 1.324 ( -1.445 -0.945 1.742) 2.453 1.360 ( 4.039 -3.528 0.347) 5.374 1.412 ( -2.572 3.550 0.490) 4.411 1.524 ( -0.057 2.118 0.361) 2.150 1.705 ( 2.133 -0.613 2.087) 3.047 1.747 ( -0.322 -2.113 1.468) 2.593 1.806 ( -0.352 2.224 -0.253) 2.266 1.898 ( -1.206 1.259 3.466) 3.880 1.933 ( -2.325 0.799 0.934) 2.630 2.002 ( -0.052 -1.526 -0.434) 1.588 2.138 ( -1.428 -1.844 3.930) 4.570 2.174 ( 1.665 -1.528 1.134) 2.529 2.278 ( -1.517 -1.449 5.847) 6.212 2.313 ( 1.846 -0.962 5.765) 6.130 2.487 ( -3.477 3.244 6.591) 8.127 2.530 ( -2.938 1.000 -0.275) 3.115 2.714 ( -3.824 0.923 -1.858) 4.350 2.816 ( 0.284 -0.747 0.064) 0.801 4.367 ( -1.327 2.377 0.685) 2.807 4.491 ( 1.386 0.422 0.225) 1.466 4.536 ( 0.213 0.919 -1.514) 1.784 4.691 ( 0.035 -2.598 0.126) 2.601 7.432 ( 0.353 0.084 0.298) 0.470 7.460 ( -0.339 -0.574 -0.135) 0.680 9.996 ( -0.417 1.331 -0.045) 1.396 10.142 ( -1.670 -2.078 1.016) 2.853 21.057 ( 2.571 0.606 -1.002) 2.826 21.096 ( 0.607 1.994 -3.576) 4.139 21.326 ( 0.949 -2.721 -4.566) 5.399 21.378 ( -0.059 -1.645 -4.239) 4.547 ======================= Grid point 146 (81/111) ======================= q-point: ( 0.22 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.059 -1.993 2.854) 3.482 0.577 ( 2.296 -1.428 -0.569) 2.763 0.601 ( 1.284 1.096 -0.721) 1.835 0.633 ( 1.768 0.866 2.221) 2.968 0.805 ( 0.795 1.313 -1.245) 1.977 0.857 ( 1.539 1.017 2.193) 2.866 0.886 ( -0.586 -4.614 3.417) 5.771 0.954 ( -1.591 0.531 2.379) 2.910 0.993 ( 0.387 -1.318 2.068) 2.483 1.149 ( 0.138 -0.255 0.428) 0.517 1.230 ( -0.751 -0.820 2.014) 2.300 1.255 ( -1.400 0.293 1.701) 2.223 1.305 ( -1.933 0.966 1.966) 2.922 1.366 ( 0.125 3.636 1.063) 3.791 1.436 ( 2.140 -2.356 0.218) 3.190 1.519 ( 0.457 -0.605 -0.811) 1.111 1.704 ( -3.253 1.710 -0.865) 3.776 1.749 ( 0.390 -0.458 2.881) 2.944 1.796 ( -0.840 3.169 -0.251) 3.288 1.891 ( 0.193 -1.512 2.497) 2.925 1.914 ( -0.218 1.586 3.811) 4.133 2.003 ( 0.019 -2.861 -0.938) 3.011 2.092 ( -3.685 -0.494 2.929) 4.733 2.172 ( -1.266 -1.196 3.347) 3.773 2.266 ( -1.497 -0.037 3.486) 3.794 2.375 ( 1.222 1.835 3.665) 4.276 2.441 ( -2.302 0.444 7.475) 7.834 2.493 ( 0.622 -0.871 1.994) 2.263 2.633 ( -3.499 2.639 0.001) 4.383 2.823 ( 0.125 -2.025 0.499) 2.089 4.339 ( -1.420 2.499 0.427) 2.906 4.499 ( -0.839 -0.650 -0.431) 1.145 4.538 ( 0.603 2.045 -0.660) 2.232 4.694 ( 0.151 -2.143 0.214) 2.159 7.438 ( -0.192 -0.128 -0.009) 0.231 7.450 ( -0.268 -0.443 0.023) 0.518 9.988 ( -0.211 1.174 -0.085) 1.196 10.110 ( -1.766 -1.665 1.593) 2.903 21.100 ( 1.810 0.903 -3.856) 4.355 21.121 ( 2.805 2.212 -1.503) 3.876 21.313 ( -0.686 -3.421 -5.105) 6.183 21.365 ( -0.369 -1.677 -3.770) 4.142 ======================= Grid point 147 (82/111) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.433 -0.767 0.907) 1.265 0.571 ( -0.799 0.407 -1.281) 1.563 0.679 ( 4.074 -0.991 2.558) 4.912 0.706 ( 2.700 0.408 2.813) 3.921 0.798 ( -0.472 5.885 -2.467) 6.399 0.896 ( 0.687 -3.176 2.693) 4.220 0.919 ( 2.701 -0.893 2.452) 3.756 0.955 ( 1.520 -0.319 1.103) 1.904 0.993 ( -0.705 -0.859 0.954) 1.464 1.156 ( 0.539 -0.117 0.174) 0.579 1.200 ( -2.227 0.302 2.240) 3.173 1.214 ( -3.084 0.797 0.807) 3.286 1.259 ( -1.360 -1.789 2.231) 3.166 1.395 ( 0.185 2.818 0.040) 2.824 1.426 ( -1.541 -1.918 2.024) 3.186 1.562 ( 2.887 -0.564 -0.158) 2.945 1.624 ( -3.828 2.182 -0.865) 4.491 1.742 ( -1.118 1.813 0.134) 2.135 1.764 ( -2.438 2.368 0.168) 3.403 1.890 ( -2.707 0.480 5.375) 6.037 1.921 ( 0.847 -1.500 2.158) 2.761 2.013 ( 0.565 -0.456 1.525) 1.689 2.026 ( -2.233 -0.704 1.931) 3.035 2.169 ( 0.306 -1.738 3.284) 3.728 2.233 ( -1.881 0.819 2.780) 3.455 2.385 ( -0.958 1.863 6.615) 6.938 2.421 ( -0.324 -0.170 2.190) 2.221 2.529 ( -0.172 -3.252 -0.629) 3.316 2.611 ( 2.086 3.975 4.927) 6.666 2.822 ( -0.410 -2.403 0.964) 2.621 4.314 ( -1.117 2.763 0.080) 2.982 4.474 ( -1.194 -0.326 -0.197) 1.253 4.548 ( 0.343 1.536 0.130) 1.579 4.695 ( -0.151 -1.824 0.220) 1.844 7.421 ( -1.049 0.156 -0.411) 1.137 7.455 ( 0.308 -0.680 0.425) 0.859 9.989 ( 0.349 0.869 0.029) 0.937 10.079 ( -1.593 -1.220 1.462) 2.482 21.127 ( 1.879 0.483 -3.495) 3.997 21.180 ( 3.134 2.068 -2.095) 4.300 21.281 ( -1.264 -3.298 -4.602) 5.801 21.343 ( -0.877 -0.815 -3.618) 3.810 ======================= Grid point 148 (83/111) ======================= q-point: ( 0.44 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -1.023 1.306 -1.424) 2.186 0.608 ( 3.480 -0.126 3.301) 4.798 0.719 ( -1.484 2.698 -0.350) 3.099 0.761 ( 3.271 0.479 1.429) 3.601 0.790 ( -0.048 2.852 -0.119) 2.855 0.892 ( -2.218 0.563 1.034) 2.511 0.953 ( -0.241 -1.020 3.724) 3.869 0.982 ( 0.723 -1.695 -0.125) 1.847 1.020 ( 3.316 -0.049 0.241) 3.325 1.139 ( -2.408 0.981 0.408) 2.632 1.174 ( -1.817 -1.491 1.372) 2.722 1.179 ( 1.084 1.327 1.081) 2.026 1.251 ( -0.308 -3.562 1.683) 3.951 1.355 ( -2.514 -1.335 2.814) 4.003 1.428 ( 0.016 2.660 1.005) 2.843 1.547 ( -3.764 1.443 1.143) 4.190 1.607 ( 0.958 1.733 -0.428) 2.026 1.701 ( -2.834 0.420 0.957) 3.021 1.720 ( -0.568 2.616 -1.252) 2.955 1.856 ( -0.847 2.313 4.505) 5.134 1.942 ( 0.536 -1.860 2.120) 2.871 1.976 ( -1.960 -1.222 2.037) 3.080 2.056 ( 1.431 0.493 2.927) 3.295 2.188 ( 0.217 -2.981 3.890) 4.905 2.216 ( -0.385 1.055 2.177) 2.449 2.374 ( -1.322 -0.634 6.019) 6.195 2.441 ( 1.422 0.241 2.003) 2.468 2.509 ( -0.833 -0.255 -0.785) 1.173 2.689 ( 3.558 1.790 3.260) 5.147 2.814 ( -0.563 -1.881 1.215) 2.309 4.297 ( -0.375 3.037 -0.243) 3.070 4.458 ( -0.275 -0.343 -0.042) 0.441 4.551 ( -0.236 1.247 0.836) 1.520 4.690 ( -0.341 -1.784 0.240) 1.832 7.401 ( -0.696 0.492 -0.240) 0.885 7.461 ( 0.136 -0.918 0.396) 1.009 9.998 ( 0.190 0.605 0.393) 0.746 10.059 ( -0.377 -0.825 0.814) 1.218 21.158 ( 1.903 -0.576 -2.972) 3.575 21.225 ( 0.641 0.045 -3.648) 3.704 21.247 ( 0.016 -0.795 -2.669) 2.785 21.312 ( -1.414 0.471 -3.533) 3.835 ======================= Grid point 149 (84/111) ======================= q-point: (-0.44 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -1.034 2.431 -0.640) 2.718 0.675 ( -1.920 3.017 0.356) 3.594 0.692 ( 2.684 0.432 3.112) 4.132 0.750 ( -3.179 2.581 -0.892) 4.191 0.810 ( -0.788 0.680 0.621) 1.212 0.861 ( 1.391 0.415 1.842) 2.345 0.936 ( -1.900 -0.814 3.203) 3.812 0.980 ( -1.219 -0.122 -0.248) 1.250 1.076 ( 0.542 -2.252 -1.367) 2.689 1.123 ( 1.684 -0.022 0.889) 1.905 1.141 ( -1.381 -0.259 1.460) 2.026 1.204 ( 0.487 0.807 1.401) 1.688 1.252 ( 0.475 -2.452 1.127) 2.740 1.343 ( 0.485 -0.913 4.989) 5.094 1.403 ( -2.730 0.582 0.400) 2.819 1.481 ( -2.840 2.454 4.241) 5.664 1.608 ( 0.042 2.785 0.589) 2.847 1.681 ( -0.083 0.729 1.064) 1.292 1.724 ( 1.086 2.265 -0.785) 2.631 1.878 ( 1.431 1.309 3.550) 4.045 1.949 ( -0.926 -1.558 3.060) 3.556 1.961 ( 0.897 -0.628 1.214) 1.635 2.079 ( 0.195 0.766 1.781) 1.948 2.195 ( -0.213 -3.200 4.267) 5.338 2.217 ( -0.252 0.770 1.507) 1.711 2.368 ( -0.467 -1.796 5.378) 5.689 2.470 ( -0.160 1.638 1.914) 2.524 2.503 ( 1.269 -1.104 -0.798) 1.862 2.755 ( 2.381 1.289 0.433) 2.742 2.807 ( -0.364 -1.129 1.473) 1.891 4.299 ( 0.606 3.167 -0.335) 3.242 4.463 ( 0.733 -0.621 -0.254) 0.994 4.542 ( -0.860 1.413 1.287) 2.096 4.686 ( -0.119 -1.842 0.411) 1.891 7.394 ( 0.014 0.601 0.094) 0.609 7.462 ( -0.066 -1.024 0.315) 1.073 9.993 ( -0.622 0.893 0.593) 1.239 10.074 ( 1.547 -1.004 0.213) 1.856 21.177 ( -1.636 -1.693 -2.528) 3.455 21.190 ( 0.358 -1.755 -3.772) 4.175 21.264 ( -1.109 2.001 -2.688) 3.530 21.282 ( 1.214 1.389 -2.599) 3.187 ======================= Grid point 150 (85/111) ======================= q-point: (-0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -1.428 4.126 2.032) 4.816 0.609 ( -5.515 -0.140 -0.974) 5.603 0.663 ( -1.558 5.581 1.133) 5.904 0.759 ( -1.351 -0.505 1.070) 1.796 0.780 ( 0.671 -1.199 1.555) 2.075 0.906 ( -1.522 -0.650 2.333) 2.861 0.919 ( 1.225 -0.176 1.766) 2.156 0.945 ( 0.308 1.458 -0.836) 1.709 1.065 ( -0.129 -2.716 -1.016) 2.903 1.108 ( -1.469 -1.535 1.367) 2.526 1.194 ( 3.095 0.574 1.047) 3.317 1.211 ( 0.450 0.187 1.800) 1.865 1.275 ( 0.930 -0.258 1.252) 1.581 1.355 ( -1.584 -0.505 1.870) 2.502 1.384 ( 1.820 0.857 4.665) 5.080 1.447 ( -1.937 1.127 4.955) 5.438 1.607 ( -0.555 1.044 0.818) 1.437 1.699 ( 1.358 -0.108 3.077) 3.365 1.746 ( 0.757 5.009 0.539) 5.095 1.898 ( -0.270 -1.412 2.336) 2.743 1.949 ( 0.515 -1.722 1.478) 2.327 1.996 ( 0.906 1.716 2.643) 3.279 2.081 ( 0.735 -0.080 -0.204) 0.767 2.194 ( -1.063 0.078 2.038) 2.300 2.223 ( 0.769 -2.092 3.416) 4.079 2.384 ( 0.858 -1.010 4.679) 4.863 2.447 ( -1.837 1.259 1.895) 2.924 2.547 ( 2.492 -0.691 -0.828) 2.715 2.782 ( 0.662 0.409 -2.117) 2.256 2.809 ( 0.107 -0.792 1.847) 2.012 4.318 ( 1.185 3.137 -0.117) 3.355 4.479 ( 0.571 -0.977 -0.251) 1.159 4.526 ( -0.791 1.877 1.049) 2.291 4.687 ( 0.126 -1.888 0.565) 1.975 7.402 ( 0.638 0.429 0.442) 0.887 7.460 ( -0.241 -0.978 0.200) 1.027 9.984 ( -0.299 1.450 0.351) 1.522 10.113 ( 2.125 -1.607 0.009) 2.665 21.113 ( -3.170 -0.918 -2.569) 4.183 21.190 ( -0.478 -0.872 -2.744) 2.919 21.226 ( -1.191 1.183 -2.154) 2.731 21.315 ( 2.141 1.359 -2.625) 3.650 ======================= Grid point 151 (86/111) ======================= q-point: (-0.22 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -1.769 4.993 5.085) 7.343 0.499 ( -4.642 1.459 1.246) 5.023 0.622 ( -2.550 -1.180 0.556) 2.864 0.752 ( -0.086 2.017 -0.491) 2.078 0.780 ( 0.483 0.834 -1.022) 1.405 0.873 ( -1.814 0.126 1.156) 2.155 0.944 ( 2.500 -2.174 1.309) 3.562 0.991 ( 1.509 -0.348 0.107) 1.552 1.073 ( 0.985 -1.619 -2.135) 2.855 1.097 ( 0.237 -2.448 3.181) 4.021 1.227 ( -0.005 1.109 2.707) 2.925 1.244 ( 1.180 0.658 1.968) 2.388 1.285 ( 0.259 0.262 2.674) 2.700 1.347 ( 0.477 1.546 1.266) 2.054 1.403 ( -4.076 -0.910 2.983) 5.132 1.431 ( 1.760 -0.094 3.510) 3.928 1.607 ( 0.511 0.439 3.210) 3.280 1.742 ( 1.862 -1.696 4.228) 4.921 1.750 ( -0.478 4.855 1.565) 5.123 1.894 ( -0.298 0.567 0.258) 0.691 1.973 ( 1.554 -1.844 0.535) 2.471 1.980 ( -1.853 0.923 1.366) 2.480 2.122 ( 1.694 -1.735 2.056) 3.179 2.171 ( -1.292 1.540 1.444) 2.475 2.256 ( 1.211 -2.309 4.302) 5.031 2.397 ( -1.853 3.817 3.674) 5.613 2.442 ( 2.109 -2.847 2.150) 4.144 2.587 ( 1.455 0.485 -0.594) 1.645 2.788 ( 0.718 -1.014 -3.683) 3.887 2.813 ( -0.002 -0.472 1.517) 1.589 4.343 ( 1.219 2.963 0.326) 3.221 4.476 ( -0.761 -0.504 1.003) 1.356 4.519 ( -0.192 1.727 -0.310) 1.765 4.692 ( 0.175 -2.085 0.447) 2.140 7.418 ( 0.738 0.137 0.661) 1.000 7.454 ( -0.270 -0.796 0.053) 0.842 9.984 ( 0.283 1.777 0.149) 1.806 10.155 ( 1.831 -2.318 -0.306) 2.970 21.046 ( -2.773 -0.375 -1.420) 3.138 21.162 ( -1.219 2.107 -3.446) 4.219 21.213 ( 0.102 -0.952 -0.093) 0.962 21.351 ( 2.099 0.706 -3.493) 4.136 ======================= Grid point 152 (87/111) ======================= q-point: (-0.11 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -2.667 1.331 4.530) 5.422 0.453 ( -0.429 5.634 5.647) 7.988 0.594 ( 0.079 -2.185 0.063) 2.188 0.734 ( -0.100 2.384 -3.484) 4.222 0.791 ( -0.762 -0.540 -0.491) 1.055 0.877 ( 2.309 1.715 1.037) 3.058 0.962 ( -1.790 -3.480 -0.669) 3.970 1.022 ( 1.847 -1.289 0.423) 2.292 1.073 ( -0.375 -0.267 -0.896) 1.007 1.121 ( -0.786 -0.936 5.307) 5.446 1.204 ( -0.435 -1.067 -0.229) 1.174 1.253 ( -1.388 1.402 2.325) 3.049 1.293 ( -4.945 -1.395 2.571) 5.746 1.327 ( 1.496 -0.718 2.536) 3.031 1.382 ( 2.431 3.008 1.861) 4.292 1.476 ( 1.822 -0.236 2.659) 3.232 1.634 ( 0.834 0.202 4.494) 4.575 1.740 ( -0.478 0.788 0.819) 1.233 1.788 ( 1.387 -1.118 2.845) 3.357 1.895 ( 0.578 0.633 1.249) 1.515 1.953 ( -1.128 2.723 1.053) 3.130 2.019 ( 3.062 -2.146 -0.025) 3.739 2.119 ( -2.497 0.628 3.343) 4.220 2.160 ( -0.595 -1.910 2.109) 2.906 2.282 ( 0.107 -1.815 5.353) 5.653 2.358 ( -2.511 1.022 2.654) 3.794 2.499 ( 2.278 -0.000 2.968) 3.742 2.597 ( -0.425 0.723 -0.155) 0.853 2.787 ( 0.048 -0.951 -3.141) 3.282 2.827 ( 0.870 -0.265 -0.735) 1.169 4.367 ( 0.939 2.499 0.862) 2.805 4.465 ( -0.395 0.345 1.199) 1.309 4.512 ( -0.156 1.408 -0.341) 1.458 4.695 ( 0.052 -2.455 0.095) 2.458 7.428 ( 0.016 0.063 0.485) 0.489 7.454 ( 0.290 -0.628 0.146) 0.707 9.993 ( 0.497 1.721 0.066) 1.792 10.179 ( 0.520 -2.827 -0.654) 2.948 21.006 ( -0.698 -0.267 -0.287) 0.801 21.129 ( -1.101 2.063 -3.533) 4.237 21.236 ( 2.243 -0.433 -0.030) 2.284 21.378 ( 1.414 -0.054 -4.281) 4.508 ======================= Grid point 153 (88/111) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -0.194 4.344 2.991) 5.277 0.535 ( 0.719 -1.576 2.306) 2.884 0.612 ( 1.227 2.722 1.841) 3.508 0.692 ( -1.101 -3.710 -0.720) 3.936 0.777 ( -2.714 2.403 -1.610) 3.966 0.836 ( -3.524 -3.213 -0.832) 4.841 0.968 ( 0.184 1.615 2.528) 3.006 0.993 ( -2.377 -0.957 2.753) 3.761 1.073 ( -1.160 2.447 -0.134) 2.712 1.115 ( -0.018 -1.167 1.819) 2.161 1.149 ( -0.843 0.206 0.574) 1.041 1.186 ( 2.784 -3.273 0.998) 4.411 1.296 ( -0.210 1.433 1.687) 2.224 1.323 ( -0.489 -1.292 1.863) 2.320 1.488 ( 1.436 2.487 1.560) 3.268 1.521 ( 2.060 -0.835 1.864) 2.901 1.654 ( 0.724 0.089 1.910) 2.045 1.681 ( 0.133 -2.724 0.769) 2.833 1.861 ( 0.994 4.409 2.479) 5.155 1.927 ( 1.205 -1.185 3.306) 3.713 1.985 ( -1.617 2.565 -0.653) 3.102 2.040 ( -2.485 -2.738 -1.711) 4.074 2.069 ( 0.920 -0.331 3.268) 3.411 2.085 ( -0.235 -2.196 4.475) 4.990 2.272 ( -1.114 0.011 6.589) 6.682 2.288 ( -2.466 -1.362 4.872) 5.628 2.568 ( -0.050 1.825 2.222) 2.875 2.587 ( -0.512 -0.005 0.364) 0.629 2.784 ( -1.001 1.437 -0.717) 1.893 2.815 ( -0.915 -1.259 0.144) 1.563 4.435 ( 0.392 2.881 0.577) 2.964 4.476 ( 0.740 -0.776 0.197) 1.090 4.551 ( 0.186 2.751 -0.251) 2.769 4.623 ( -0.269 -4.104 -0.060) 4.113 7.434 ( 0.090 0.503 0.228) 0.559 7.447 ( 0.195 -0.748 0.166) 0.791 10.044 ( -0.239 2.903 0.162) 2.918 10.108 ( -0.646 -3.478 0.207) 3.544 21.039 ( 1.611 2.380 -0.495) 2.916 21.095 ( 0.895 -2.620 -2.013) 3.423 21.301 ( 0.679 2.273 -4.778) 5.335 21.353 ( -0.118 -2.462 -5.329) 5.872 ======================= Grid point 154 (89/111) ======================= q-point: ( 0.11 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.884 3.044 4.324) 5.361 0.545 ( -0.472 -3.144 1.639) 3.577 0.633 ( -0.557 1.439 0.674) 1.684 0.655 ( -1.877 0.253 -1.500) 2.416 0.744 ( 0.820 -0.623 1.798) 2.072 0.777 ( -1.424 -3.753 2.622) 4.794 0.936 ( -2.491 1.232 3.144) 4.196 0.958 ( -1.154 -1.128 3.325) 3.696 1.038 ( -1.792 3.527 0.364) 3.973 1.109 ( -0.361 -3.107 -0.346) 3.147 1.219 ( 4.361 2.468 1.059) 5.122 1.268 ( 1.884 -1.433 1.188) 2.649 1.301 ( 1.921 -0.721 1.442) 2.508 1.311 ( -0.160 -0.992 2.079) 2.309 1.483 ( -2.037 3.287 0.189) 3.871 1.531 ( -1.316 -1.309 -0.225) 1.870 1.694 ( 2.555 -0.111 1.878) 3.173 1.710 ( 2.253 -1.586 0.589) 2.818 1.868 ( -0.913 3.892 1.918) 4.434 1.919 ( -4.226 0.207 1.541) 4.503 1.940 ( -0.547 -0.152 2.946) 3.000 1.965 ( -1.921 -2.134 -0.379) 2.896 2.111 ( 0.582 -0.139 3.029) 3.087 2.135 ( 1.737 -2.036 2.196) 3.462 2.267 ( -0.098 0.433 6.148) 6.164 2.289 ( 1.599 -1.402 6.607) 6.941 2.539 ( -3.060 1.867 2.447) 4.340 2.553 ( -3.354 0.622 1.233) 3.627 2.745 ( -2.548 2.067 -0.199) 3.287 2.788 ( -1.385 -2.091 0.310) 2.527 4.429 ( -1.005 3.567 0.055) 3.706 4.484 ( -0.077 -1.612 -0.335) 1.649 4.566 ( 1.156 2.379 -0.327) 2.666 4.627 ( 0.613 -3.587 0.231) 3.646 7.437 ( 0.083 0.393 0.147) 0.428 7.447 ( -0.168 -0.675 -0.033) 0.697 10.034 ( -0.682 2.549 0.348) 2.661 10.090 ( -1.148 -2.969 0.782) 3.278 21.084 ( 2.854 2.035 -1.806) 3.943 21.118 ( 1.939 -0.527 -3.229) 3.804 21.291 ( -0.540 0.227 -4.409) 4.447 21.330 ( -0.752 -2.871 -4.292) 5.218 ======================= Grid point 155 (90/111) ======================= q-point: ( 0.22 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.811 -0.325 3.301) 3.415 0.538 ( 1.372 -2.271 1.502) 3.049 0.621 ( -0.168 0.983 -0.031) 0.998 0.639 ( 0.909 -0.552 2.465) 2.685 0.794 ( 2.900 -0.690 2.060) 3.624 0.807 ( 2.810 -1.957 4.048) 5.302 0.920 ( 0.478 2.257 2.047) 3.084 0.956 ( 0.126 -1.788 2.442) 3.029 1.000 ( -1.988 4.444 -0.530) 4.897 1.097 ( -0.568 -4.458 -0.988) 4.601 1.245 ( -1.464 1.318 2.396) 3.102 1.259 ( -1.575 -0.079 2.006) 2.551 1.334 ( 0.420 2.039 1.601) 2.626 1.383 ( 2.057 -2.802 0.703) 3.547 1.437 ( -0.660 3.319 0.181) 3.389 1.491 ( -0.867 -2.159 -0.735) 2.440 1.742 ( -0.442 1.457 0.502) 1.603 1.749 ( 1.685 0.520 1.233) 2.151 1.835 ( -1.408 0.545 2.901) 3.271 1.857 ( -2.456 -1.540 3.002) 4.174 1.935 ( -0.015 0.776 0.099) 0.782 1.961 ( 0.902 -1.401 0.412) 1.717 2.090 ( -3.067 0.998 3.491) 4.752 2.130 ( -2.059 -2.584 4.411) 5.511 2.306 ( 1.604 3.506 2.876) 4.810 2.371 ( 4.239 -2.219 5.048) 6.955 2.467 ( -4.267 0.912 5.159) 6.757 2.475 ( -3.848 -0.067 0.389) 3.868 2.696 ( -1.907 3.520 1.041) 4.137 2.767 ( -0.820 -3.515 0.720) 3.681 4.405 ( -1.276 3.791 0.062) 4.001 4.470 ( -1.084 -2.507 -0.390) 2.760 4.586 ( 0.753 2.743 -0.254) 2.856 4.642 ( 0.616 -2.926 0.332) 3.008 7.437 ( -0.209 0.054 -0.007) 0.216 7.441 ( -0.271 -0.392 -0.024) 0.477 10.021 ( -0.626 2.160 0.507) 2.306 10.068 ( -1.222 -2.456 1.149) 2.974 21.129 ( 2.032 2.049 -4.297) 5.176 21.159 ( 2.830 0.302 -2.977) 4.119 21.264 ( -0.936 -0.152 -3.746) 3.864 21.311 ( -0.239 -3.436 -2.800) 4.439 ======================= Grid point 156 (91/111) ======================= q-point: ( 0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 1.595 1.231 2.211) 2.992 0.567 ( 0.554 -1.062 0.681) 1.378 0.665 ( 3.808 0.049 2.145) 4.371 0.688 ( 2.597 -1.851 2.581) 4.103 0.862 ( 3.157 0.697 1.624) 3.618 0.880 ( 3.300 -0.532 3.353) 4.734 0.945 ( -1.590 1.285 0.391) 2.081 0.960 ( 0.016 0.907 0.398) 0.991 0.972 ( 1.608 2.830 -0.039) 3.255 1.088 ( 0.069 -5.534 -0.861) 5.601 1.214 ( -1.966 0.969 2.472) 3.304 1.229 ( -1.722 -0.531 2.038) 2.721 1.280 ( -3.940 3.545 1.359) 5.472 1.353 ( -3.261 -3.644 0.802) 4.956 1.473 ( 2.180 3.282 0.654) 3.994 1.530 ( 3.008 -2.409 0.461) 3.881 1.683 ( -4.029 3.572 0.148) 5.387 1.743 ( -3.099 -1.816 0.446) 3.620 1.818 ( -0.210 2.322 3.024) 3.819 1.865 ( 1.145 -2.428 3.424) 4.350 1.929 ( -0.846 2.237 0.523) 2.448 1.985 ( -0.005 -2.937 1.162) 3.159 2.036 ( -1.777 2.707 3.561) 4.814 2.106 ( -0.923 -3.916 4.573) 6.091 2.300 ( -2.278 5.171 1.049) 5.747 2.394 ( -3.885 -2.336 2.962) 5.415 2.443 ( 0.970 0.694 4.756) 4.903 2.463 ( 2.676 -1.271 1.182) 3.190 2.686 ( 0.571 3.624 2.850) 4.646 2.758 ( -0.201 -3.756 1.485) 4.044 4.382 ( -0.935 3.795 0.027) 3.908 4.447 ( -0.997 -2.515 -0.187) 2.711 4.593 ( -0.010 2.798 0.135) 2.802 4.649 ( -0.054 -2.750 0.388) 2.778 7.427 ( -0.589 0.479 -0.165) 0.777 7.439 ( -0.064 -0.797 0.157) 0.815 10.014 ( -0.210 1.587 0.608) 1.712 10.048 ( -0.953 -1.802 1.153) 2.342 21.149 ( 1.152 1.871 -4.324) 4.850 21.197 ( 1.104 -2.296 -4.500) 5.172 21.250 ( 0.769 2.180 -1.931) 3.013 21.307 ( 0.324 -2.726 -2.436) 3.670 ======================= Grid point 157 (92/111) ======================= q-point: ( 0.44 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.236 2.252 0.033) 2.265 0.598 ( 2.049 -1.206 1.748) 2.951 0.732 ( 1.260 0.298 2.034) 2.412 0.748 ( 3.086 -1.208 2.298) 4.032 0.896 ( -1.658 4.704 -0.591) 5.022 0.916 ( 0.375 1.788 0.620) 1.929 0.935 ( -0.777 -1.088 1.240) 1.824 0.954 ( 1.782 -0.663 1.331) 2.321 1.024 ( 2.310 1.053 -0.041) 2.539 1.090 ( -0.116 -4.645 -0.184) 4.650 1.173 ( -2.242 1.130 0.918) 2.673 1.199 ( -1.392 -1.758 1.468) 2.680 1.233 ( -0.850 3.331 2.712) 4.379 1.302 ( -1.850 -3.458 2.848) 4.847 1.496 ( -0.260 4.087 -0.054) 4.095 1.573 ( -0.440 -2.547 1.689) 3.088 1.615 ( -1.260 2.429 0.236) 2.747 1.667 ( -3.532 -1.852 1.591) 4.294 1.830 ( 0.523 5.029 2.318) 5.562 1.894 ( 0.412 -0.475 3.882) 3.933 1.911 ( -0.434 0.452 1.404) 1.537 1.955 ( -1.689 -1.566 2.275) 3.237 2.047 ( 0.679 0.699 2.171) 2.380 2.112 ( 0.065 -4.378 3.339) 5.506 2.262 ( -1.419 3.339 2.146) 4.215 2.334 ( -2.609 -3.411 3.023) 5.252 2.473 ( 1.260 2.560 1.893) 3.424 2.507 ( 1.178 -0.325 1.422) 1.875 2.725 ( 2.145 1.756 2.746) 3.902 2.766 ( 0.518 -2.583 1.648) 3.107 4.369 ( -0.220 3.848 -0.167) 3.858 4.433 ( -0.267 -2.356 -0.208) 2.380 4.590 ( -0.378 2.600 0.704) 2.721 4.644 ( -0.431 -2.757 0.536) 2.841 7.416 ( -0.407 0.983 -0.045) 1.065 7.438 ( -0.090 -1.244 0.199) 1.263 10.015 ( 0.057 1.090 0.674) 1.283 10.038 ( -0.160 -1.225 0.835) 1.491 21.158 ( 0.661 0.681 -3.506) 3.632 21.186 ( -0.620 -2.125 -4.100) 4.659 21.276 ( 1.643 1.918 -2.063) 3.260 21.306 ( 0.118 -1.005 -2.755) 2.935 ======================= Grid point 158 (93/111) ======================= q-point: (-0.44 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.106 3.495 -0.474) 3.528 0.630 ( 0.336 -3.360 0.185) 3.382 0.747 ( -0.109 2.209 2.820) 3.584 0.789 ( -0.142 -1.844 2.052) 2.762 0.866 ( -3.851 5.116 -0.652) 6.436 0.884 ( 0.707 2.413 0.544) 2.573 0.914 ( -1.859 -0.791 2.011) 2.850 0.977 ( -0.017 -1.985 1.505) 2.491 1.042 ( -1.011 0.154 -1.916) 2.172 1.083 ( -0.344 -2.865 0.125) 2.888 1.161 ( 1.184 1.495 1.214) 2.261 1.191 ( 0.359 -1.621 1.269) 2.090 1.247 ( 1.391 1.729 2.133) 3.078 1.295 ( 0.269 -2.927 3.641) 4.680 1.459 ( -2.738 4.139 1.812) 5.283 1.519 ( -3.706 -0.328 3.594) 5.173 1.631 ( 1.140 -1.302 1.089) 2.045 1.638 ( -0.278 -0.125 1.781) 1.807 1.851 ( 0.611 5.589 3.009) 6.377 1.891 ( -0.174 1.160 1.636) 2.013 1.910 ( -0.863 -0.961 2.116) 2.479 1.978 ( 3.244 -0.581 1.826) 3.767 2.056 ( -0.310 -0.636 1.584) 1.735 2.117 ( -0.033 -4.427 2.859) 5.270 2.250 ( -0.559 2.356 2.780) 3.687 2.308 ( -0.665 -3.452 3.705) 5.107 2.503 ( 1.274 2.005 0.708) 2.479 2.520 ( -0.027 0.915 1.247) 1.547 2.769 ( 1.540 0.236 0.935) 1.817 2.781 ( 0.455 -1.185 0.905) 1.559 4.373 ( 0.595 3.859 -0.334) 3.919 4.435 ( 0.538 -2.324 -0.351) 2.411 4.582 ( -0.516 2.624 1.094) 2.890 4.638 ( -0.261 -2.846 0.798) 2.967 7.411 ( -0.037 1.151 0.156) 1.162 7.437 ( -0.073 -1.408 0.243) 1.431 10.017 ( 0.068 1.495 0.582) 1.605 10.048 ( 0.891 -1.561 0.439) 1.850 21.154 ( -1.017 -0.481 -2.826) 3.042 21.160 ( -0.477 -1.042 -3.314) 3.507 21.296 ( -0.069 1.027 -2.876) 3.054 21.301 ( 1.127 0.450 -2.778) 3.032 ======================= Grid point 159 (94/111) ======================= q-point: (-0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -0.736 3.375 0.577) 3.502 0.600 ( -3.076 -1.151 -0.817) 3.384 0.723 ( -5.265 0.186 -0.079) 5.268 0.741 ( -1.380 -1.573 1.298) 2.463 0.817 ( -0.630 5.414 3.140) 6.290 0.886 ( -0.807 -1.640 3.139) 3.632 0.927 ( 2.056 1.400 0.942) 2.660 0.978 ( 0.002 -1.024 0.329) 1.076 1.008 ( -0.690 -0.063 -2.381) 2.480 1.060 ( -1.502 -3.039 -0.366) 3.410 1.208 ( 2.187 0.484 1.772) 2.856 1.211 ( 1.222 0.022 1.712) 2.103 1.286 ( 1.638 1.197 1.664) 2.624 1.318 ( 1.075 -2.043 2.530) 3.425 1.432 ( -0.618 2.697 3.727) 4.642 1.462 ( -2.916 -0.052 4.149) 5.072 1.632 ( -0.680 1.126 2.318) 2.665 1.659 ( 1.091 -2.014 3.856) 4.485 1.845 ( -1.856 2.208 3.797) 4.768 1.892 ( -0.573 -3.040 1.888) 3.625 1.924 ( 1.903 5.276 -1.544) 5.817 2.031 ( -1.052 -4.140 -0.883) 4.362 2.057 ( 2.480 3.347 3.293) 5.310 2.138 ( 1.252 -4.166 3.527) 5.601 2.252 ( 0.241 3.459 2.844) 4.485 2.328 ( 1.639 -3.736 3.756) 5.545 2.504 ( -1.195 2.906 1.213) 3.368 2.536 ( 1.336 -0.490 0.183) 1.435 2.784 ( 0.117 -0.101 -0.882) 0.895 2.791 ( 0.331 -0.869 0.249) 0.962 4.389 ( 0.969 3.644 -0.303) 3.783 4.448 ( 0.628 -2.275 -0.276) 2.377 4.575 ( -0.433 3.035 1.048) 3.240 4.637 ( -0.077 -3.075 0.907) 3.207 7.415 ( 0.308 0.917 0.355) 1.030 7.437 ( -0.038 -1.242 0.271) 1.271 10.023 ( 0.377 2.395 0.294) 2.442 10.072 ( 1.284 -2.477 0.174) 2.796 21.111 ( -2.248 0.721 -2.359) 3.338 21.142 ( -0.995 -2.388 -2.005) 3.273 21.284 ( -0.055 2.885 -3.560) 4.583 21.321 ( 1.423 -0.804 -3.345) 3.723 ======================= Grid point 160 (95/111) ======================= q-point: (-0.22 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -3.684 1.933 1.897) 4.572 0.544 ( -2.117 -0.794 0.669) 2.358 0.629 ( -2.852 4.321 0.263) 5.184 0.730 ( -0.179 -4.693 -0.523) 4.725 0.824 ( 0.244 3.975 1.604) 4.293 0.883 ( -0.040 -1.148 2.068) 2.365 0.934 ( -0.799 2.123 -0.539) 2.331 0.983 ( -0.141 -1.315 0.275) 1.350 1.030 ( 2.713 -1.228 -1.370) 3.278 1.049 ( 0.768 -2.213 0.577) 2.413 1.245 ( 1.492 0.667 2.122) 2.678 1.252 ( 1.615 0.009 2.289) 2.802 1.304 ( -0.818 1.624 3.080) 3.577 1.341 ( -0.490 -1.839 2.090) 2.826 1.412 ( -2.298 1.314 2.666) 3.757 1.428 ( -0.223 -0.306 2.261) 2.292 1.642 ( 0.694 2.540 4.700) 5.387 1.696 ( 1.141 -2.784 4.641) 5.531 1.807 ( -1.994 2.303 2.758) 4.109 1.876 ( -1.155 -4.377 1.999) 4.949 1.956 ( 1.580 3.385 -1.809) 4.151 2.009 ( -0.149 -1.027 -0.820) 1.322 2.105 ( 0.791 1.579 3.686) 4.087 2.163 ( -0.024 -3.017 2.911) 4.192 2.273 ( 0.700 4.486 3.175) 5.541 2.369 ( 0.472 -4.451 2.561) 5.156 2.489 ( 0.286 4.562 1.699) 4.877 2.562 ( 1.085 -2.685 0.522) 2.943 2.783 ( 0.228 0.371 -1.603) 1.661 2.797 ( 0.559 -0.958 0.075) 1.111 4.407 ( 0.810 3.119 0.000) 3.223 4.455 ( 0.095 -1.718 0.324) 1.751 4.569 ( -0.406 3.248 0.469) 3.307 4.637 ( -0.192 -3.369 0.601) 3.428 7.424 ( 0.428 0.470 0.471) 0.791 7.437 ( 0.030 -0.845 0.257) 0.883 10.033 ( 0.547 3.050 0.077) 3.099 10.097 ( 1.096 -3.318 -0.045) 3.495 21.060 ( -2.139 1.814 -1.266) 3.077 21.114 ( -1.262 -3.519 -0.984) 3.866 21.280 ( 0.721 4.264 -4.269) 6.076 21.342 ( 1.499 -1.823 -4.385) 4.980 ======================= Grid point 161 (96/111) ======================= q-point: (-0.11 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -1.121 2.796 2.596) 3.977 0.519 ( -0.127 -2.209 1.332) 2.583 0.601 ( -0.629 5.868 1.837) 6.181 0.717 ( -1.058 -4.798 -0.591) 4.948 0.817 ( -0.917 3.735 -1.810) 4.250 0.891 ( -0.853 -3.609 -1.729) 4.092 0.932 ( 1.485 3.277 1.496) 3.897 0.988 ( 1.046 -2.217 1.430) 2.838 1.067 ( 0.852 0.110 -0.175) 0.876 1.088 ( 2.536 -1.983 0.310) 3.234 1.215 ( -4.739 1.750 1.779) 5.356 1.254 ( -6.355 -1.944 2.152) 6.985 1.286 ( 0.576 1.445 2.251) 2.736 1.312 ( 0.999 -1.020 2.565) 2.935 1.434 ( 2.685 1.960 2.407) 4.104 1.460 ( 2.605 -1.024 2.553) 3.789 1.652 ( -0.719 1.385 3.248) 3.604 1.697 ( -1.487 -3.175 1.763) 3.924 1.816 ( 1.996 3.262 3.582) 5.240 1.886 ( 1.508 -2.815 3.683) 4.875 1.981 ( 1.472 1.748 -1.705) 2.851 2.016 ( 0.704 -0.010 -0.225) 0.739 2.104 ( -1.674 0.023 4.063) 4.394 2.139 ( -3.042 -1.786 1.502) 3.833 2.280 ( -0.864 2.243 4.953) 5.506 2.339 ( -3.152 -2.741 2.924) 5.099 2.533 ( 2.573 2.842 1.864) 4.263 2.583 ( 0.715 -1.909 0.691) 2.152 2.789 ( 0.519 1.070 -1.233) 1.713 2.814 ( 0.781 -1.155 0.090) 1.397 4.422 ( 0.626 2.691 0.538) 2.815 4.460 ( 0.470 -1.104 0.755) 1.417 4.559 ( -0.648 3.307 -0.117) 3.371 4.632 ( -0.396 -3.809 0.078) 3.831 7.431 ( 0.169 0.303 0.380) 0.515 7.441 ( 0.286 -0.619 0.266) 0.732 10.043 ( 0.321 3.184 0.035) 3.200 10.112 ( 0.312 -3.717 -0.112) 3.732 21.028 ( -0.553 2.428 -0.403) 2.523 21.093 ( -0.425 -3.778 -0.853) 3.896 21.291 ( 1.256 4.142 -4.789) 6.455 21.357 ( 0.982 -2.302 -5.230) 5.798 ======================= Grid point 180 (97/111) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.000 0.000 0.000) 0.000 0.515 ( 0.000 0.000 0.000) 0.000 0.586 ( -0.000 0.000 0.000) 0.000 0.707 ( 0.000 0.000 0.000) 0.000 0.770 ( -0.000 0.000 0.000) 0.000 0.926 ( -0.000 0.000 0.000) 0.000 0.938 ( -0.000 0.000 -0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 1.097 ( -0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.240 ( -0.000 0.000 0.000) 0.000 1.256 ( -0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.403 ( -0.000 0.000 0.000) 0.000 1.406 ( -0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.766 ( -0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.905 ( -0.000 0.000 0.000) 0.000 1.924 ( -0.000 0.000 0.000) 0.000 2.082 ( -0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 -0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.354 ( -0.000 0.000 0.000) 0.000 2.365 ( -0.000 0.000 0.000) 0.000 2.562 ( -0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.701 ( -0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 4.370 ( -0.000 0.000 0.000) 0.000 4.469 ( -0.000 0.000 0.000) 0.000 4.504 ( -0.000 0.000 0.000) 0.000 4.721 ( -0.000 0.000 0.000) 0.000 7.429 ( -0.000 0.000 0.000) 0.000 7.469 ( -0.000 0.000 0.000) 0.000 9.986 ( -0.000 0.000 0.000) 0.000 10.193 ( -0.000 0.000 0.000) 0.000 21.024 ( -0.000 0.000 0.000) 0.000 21.040 ( -0.000 0.000 0.000) 0.000 21.293 ( 0.000 0.000 0.000) 0.000 21.351 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 182 (98/111) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 4.029 0.000 -2.095) 4.541 0.512 ( 0.219 0.000 -4.757) 4.762 0.603 ( 1.549 0.000 1.367) 2.066 0.645 ( -3.322 0.000 1.949) 3.851 0.780 ( 0.117 0.000 0.078) 0.140 0.872 ( -2.604 0.000 -0.246) 2.615 0.978 ( 2.550 0.000 2.101) 3.304 1.003 ( 1.760 0.000 2.427) 2.997 1.057 ( -3.083 0.000 0.925) 3.219 1.192 ( 0.180 0.000 1.753) 1.762 1.218 ( 1.047 0.000 -1.126) 1.537 1.266 ( 0.787 0.000 -0.332) 0.854 1.344 ( 0.085 0.000 -0.598) 0.604 1.362 ( -2.931 0.000 -0.924) 3.073 1.396 ( 1.425 0.000 -2.272) 2.682 1.490 ( 0.875 0.000 0.161) 0.890 1.704 ( -0.517 0.000 -2.205) 2.264 1.744 ( -1.703 0.000 -2.201) 2.783 1.819 ( -1.074 0.000 1.344) 1.720 1.917 ( 1.018 0.000 0.980) 1.413 1.917 ( -0.446 0.000 -1.141) 1.226 2.026 ( -1.968 0.000 0.869) 2.151 2.161 ( 2.879 0.000 -2.420) 3.761 2.214 ( -2.099 0.000 0.629) 2.192 2.348 ( -0.765 0.000 0.249) 0.804 2.377 ( 1.044 0.000 0.482) 1.150 2.535 ( -2.262 0.000 1.501) 2.715 2.601 ( -0.787 0.000 -1.694) 1.868 2.677 ( -2.448 0.000 7.135) 7.544 2.814 ( 1.608 0.000 -0.541) 1.696 4.352 ( -1.501 0.000 -0.071) 1.503 4.483 ( 1.235 0.000 -0.793) 1.468 4.501 ( -0.187 0.000 -0.678) 0.703 4.720 ( -0.117 0.000 0.109) 0.159 7.434 ( 0.411 0.000 -0.109) 0.425 7.463 ( -0.503 0.000 -0.184) 0.536 9.979 ( -0.502 0.000 -0.184) 0.535 10.185 ( -0.980 0.000 1.267) 1.602 21.031 ( 0.935 0.000 -0.852) 1.265 21.048 ( 0.714 0.000 0.159) 0.731 21.291 ( 0.067 0.000 -2.569) 2.569 21.342 ( -0.846 0.000 -0.575) 1.023 ======================= Grid point 183 (99/111) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.190 0.000 -5.687) 5.690 0.534 ( 1.355 0.000 -2.413) 2.768 0.647 ( 2.000 0.000 0.020) 2.000 0.674 ( 4.657 0.000 4.863) 6.733 0.741 ( -2.537 0.000 -0.416) 2.571 0.879 ( 2.485 0.000 0.490) 2.533 0.981 ( -2.503 0.000 0.672) 2.592 1.015 ( -1.107 0.000 0.330) 1.155 1.029 ( 0.299 0.000 3.210) 3.224 1.162 ( -1.394 0.000 -0.206) 1.409 1.251 ( -0.060 0.000 -1.017) 1.019 1.256 ( -2.404 0.000 -0.731) 2.512 1.322 ( -0.330 0.000 -0.820) 0.884 1.327 ( 0.103 0.000 0.666) 0.674 1.459 ( 3.622 0.000 -0.985) 3.753 1.494 ( -0.036 0.000 -2.377) 2.378 1.653 ( -3.667 0.000 -1.714) 4.047 1.699 ( -1.855 0.000 -3.011) 3.537 1.803 ( -1.333 0.000 0.424) 1.399 1.921 ( 1.643 0.000 -0.775) 1.817 1.948 ( 1.642 0.000 1.501) 2.224 2.009 ( -0.112 0.000 -0.660) 0.669 2.145 ( -4.871 0.000 1.155) 5.007 2.188 ( 0.588 0.000 -1.025) 1.181 2.321 ( -1.791 0.000 0.132) 1.796 2.404 ( 1.400 0.000 0.724) 1.577 2.500 ( -1.310 0.000 2.255) 2.608 2.560 ( -2.347 0.000 -3.077) 3.870 2.672 ( -0.072 0.000 9.447) 9.447 2.841 ( 0.983 0.000 -0.654) 1.180 4.318 ( -1.731 0.000 -0.092) 1.734 4.492 ( -0.655 0.000 -0.020) 0.655 4.507 ( 1.338 0.000 -1.079) 1.719 4.717 ( -0.160 0.000 -0.064) 0.172 7.431 ( -0.823 0.000 -0.705) 1.084 7.460 ( 0.359 0.000 0.270) 0.449 9.971 ( -0.115 0.000 -0.273) 0.296 10.159 ( -1.944 0.000 1.485) 2.446 21.064 ( 2.605 0.000 -1.089) 2.824 21.070 ( 1.441 0.000 0.500) 1.525 21.284 ( -0.099 0.000 -3.002) 3.003 21.315 ( -1.604 0.000 -1.166) 1.984 ======================= Grid point 184 (100/111) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.282 0.000 -3.740) 3.750 0.584 ( 3.740 0.000 1.688) 4.104 0.639 ( -1.532 0.000 -3.183) 3.532 0.749 ( 2.455 0.000 1.392) 2.822 0.769 ( 2.330 0.000 3.639) 4.321 0.941 ( 3.264 0.000 -0.617) 3.322 0.952 ( 0.401 0.000 -1.249) 1.312 0.962 ( -3.627 0.000 -1.721) 4.015 1.042 ( 0.418 0.000 3.693) 3.717 1.150 ( 0.318 0.000 -0.977) 1.027 1.188 ( -3.703 0.000 0.006) 3.703 1.231 ( -1.102 0.000 -0.138) 1.110 1.321 ( 0.102 0.000 -1.580) 1.583 1.341 ( 0.565 0.000 0.981) 1.132 1.491 ( 0.840 0.000 -4.349) 4.430 1.503 ( 0.700 0.000 -1.240) 1.423 1.571 ( -3.948 0.000 1.134) 4.108 1.658 ( -1.582 0.000 -2.354) 2.836 1.774 ( -0.995 0.000 -0.317) 1.044 1.960 ( -2.727 0.000 1.417) 3.074 1.966 ( 2.158 0.000 -0.039) 2.159 2.006 ( -0.013 0.000 -1.329) 1.329 2.057 ( -1.922 0.000 1.145) 2.237 2.199 ( 0.799 0.000 0.477) 0.931 2.289 ( -1.192 0.000 0.131) 1.199 2.431 ( 0.992 0.000 0.494) 1.109 2.496 ( 0.211 0.000 2.570) 2.579 2.509 ( -1.905 0.000 -1.752) 2.589 2.698 ( 0.525 0.000 5.868) 5.891 2.848 ( -0.085 0.000 -0.707) 0.712 4.284 ( -1.479 0.000 -0.030) 1.479 4.476 ( -0.887 0.000 0.519) 1.028 4.530 ( 1.104 0.000 -0.862) 1.401 4.713 ( -0.231 0.000 -0.211) 0.313 7.408 ( -1.062 0.000 -0.622) 1.231 7.469 ( 0.409 0.000 0.218) 0.464 9.976 ( 0.671 0.000 -0.321) 0.744 10.118 ( -2.258 0.000 1.112) 2.517 21.108 ( 2.035 0.000 0.994) 2.264 21.125 ( 3.344 0.000 -0.613) 3.400 21.271 ( -0.628 0.000 -2.101) 2.193 21.273 ( -2.140 0.000 -1.607) 2.676 ======================= Grid point 185 (101/111) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -0.153 0.000 -1.079) 1.090 0.610 ( -0.586 0.000 -1.660) 1.760 0.681 ( 4.721 0.000 3.452) 5.849 0.771 ( -2.237 0.000 -0.940) 2.427 0.795 ( 1.331 0.000 0.546) 1.439 0.886 ( -2.468 0.000 -0.983) 2.657 0.982 ( 1.459 0.000 -0.635) 1.592 1.002 ( 3.177 0.000 -2.278) 3.910 1.052 ( -1.317 0.000 4.010) 4.220 1.125 ( -1.729 0.000 -0.351) 1.765 1.165 ( 1.258 0.000 -0.700) 1.439 1.206 ( -1.400 0.000 0.264) 1.424 1.320 ( 0.216 0.000 -1.049) 1.071 1.351 ( 0.270 0.000 0.488) 0.558 1.492 ( -0.925 0.000 -0.547) 1.074 1.514 ( -1.479 0.000 0.886) 1.725 1.515 ( 2.188 0.000 -2.996) 3.710 1.616 ( -2.178 0.000 -0.338) 2.204 1.765 ( -0.093 0.000 0.023) 0.096 1.877 ( -3.171 0.000 0.706) 3.248 1.993 ( 0.434 0.000 0.444) 0.621 2.005 ( 0.217 0.000 -0.904) 0.930 2.064 ( 0.693 0.000 0.460) 0.831 2.218 ( 0.700 0.000 0.408) 0.810 2.274 ( -0.370 0.000 -0.032) 0.372 2.445 ( 0.316 0.000 0.141) 0.346 2.479 ( -0.703 0.000 -0.589) 0.917 2.510 ( 0.415 0.000 1.277) 1.343 2.716 ( 0.214 0.000 1.981) 1.992 2.840 ( -0.286 0.000 -0.383) 0.478 4.262 ( -0.617 0.000 -0.001) 0.617 4.463 ( -0.407 0.000 0.280) 0.494 4.545 ( 0.452 0.000 -0.320) 0.554 4.708 ( -0.132 0.000 -0.117) 0.177 7.391 ( -0.447 0.000 -0.241) 0.508 7.475 ( 0.141 0.000 0.073) 0.159 9.992 ( 0.760 0.000 -0.233) 0.795 10.080 ( -1.335 0.000 0.500) 1.426 21.153 ( 1.947 0.000 1.185) 2.279 21.185 ( 2.334 0.000 0.014) 2.334 21.225 ( -1.978 0.000 -1.434) 2.443 21.248 ( -1.190 0.000 -0.910) 1.498 ======================= Grid point 190 (102/111) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.000 1.164 0.000) 1.164 0.551 ( 0.000 2.750 -0.000) 2.750 0.605 ( 0.000 1.783 0.000) 1.783 0.677 ( 0.000 -2.129 0.000) 2.129 0.765 ( 0.000 -0.750 0.000) 0.750 0.892 ( -0.000 -2.674 0.000) 2.674 0.966 ( -0.000 1.843 -0.000) 1.843 0.973 ( 0.000 2.093 0.000) 2.093 1.074 ( -0.000 -1.783 0.000) 1.783 1.150 ( -0.000 -0.193 0.000) 0.193 1.199 ( -0.000 -3.136 0.000) 3.136 1.278 ( 0.000 1.675 -0.000) 1.675 1.279 ( 0.000 -3.710 0.000) 3.710 1.363 ( -0.000 -1.497 0.000) 1.497 1.444 ( 0.000 3.032 0.000) 3.032 1.527 ( 0.000 2.375 0.000) 2.375 1.695 ( -0.000 -1.015 0.000) 1.015 1.767 ( 0.000 -4.824 0.000) 4.824 1.794 ( -0.000 3.219 -0.000) 3.219 1.940 ( 0.000 1.387 0.000) 1.387 1.949 ( -0.000 2.562 0.000) 2.562 2.071 ( -0.000 -2.147 0.000) 2.147 2.085 ( 0.000 0.428 0.000) 0.428 2.200 ( 0.000 -3.223 0.000) 3.223 2.347 ( -0.000 -0.681 0.000) 0.681 2.361 ( -0.000 -0.581 0.000) 0.581 2.569 ( -0.000 0.882 0.000) 0.882 2.592 ( 0.000 -0.738 0.000) 0.738 2.726 ( -0.000 2.195 0.000) 2.195 2.815 ( -0.000 1.157 0.000) 1.157 4.392 ( 0.000 2.096 0.000) 2.096 4.471 ( -0.000 0.598 0.000) 0.598 4.516 ( -0.000 0.917 0.000) 0.917 4.693 ( -0.000 -2.726 0.000) 2.726 7.430 ( 0.000 0.174 0.000) 0.174 7.462 ( -0.000 -0.619 0.000) 0.619 10.001 ( 0.000 1.544 0.000) 1.544 10.169 ( -0.000 -2.355 0.000) 2.355 21.023 ( -0.000 0.113 0.000) 0.113 21.059 ( -0.000 1.460 0.000) 1.460 21.270 ( -0.000 -1.841 0.000) 1.841 21.340 ( 0.000 -1.264 0.000) 1.264 ======================= Grid point 192 (103/111) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 3.364 0.169 -1.724) 3.784 0.548 ( 0.197 2.876 -3.732) 4.716 0.593 ( -1.589 -1.192 -0.548) 2.061 0.655 ( -0.021 1.571 4.054) 4.348 0.779 ( 1.226 -0.370 0.558) 1.397 0.890 ( -2.689 1.545 0.004) 3.101 0.933 ( 1.175 -3.321 1.869) 3.988 1.008 ( -0.045 -0.127 1.740) 1.746 1.047 ( -1.927 -0.662 1.317) 2.426 1.165 ( -1.940 -3.076 0.396) 3.658 1.207 ( 4.048 0.367 -0.384) 4.083 1.281 ( 0.214 1.249 -0.084) 1.270 1.333 ( 2.899 -1.541 -1.124) 3.470 1.356 ( 0.697 -1.713 -0.596) 1.943 1.410 ( -2.742 3.212 -0.866) 4.311 1.511 ( -1.270 0.719 -1.389) 2.015 1.701 ( 0.152 -0.190 -2.135) 2.149 1.765 ( 0.168 -1.030 -1.260) 1.636 1.798 ( 0.199 1.355 0.788) 1.580 1.914 ( -1.410 0.472 -0.657) 1.625 1.960 ( 0.435 2.612 0.745) 2.751 2.006 ( -2.582 -1.836 0.829) 3.275 2.158 ( 2.960 -0.193 -1.061) 3.150 2.187 ( -1.362 -2.453 -0.255) 2.817 2.331 ( -1.331 -1.073 0.136) 1.715 2.385 ( 1.908 0.114 0.977) 2.147 2.524 ( -2.935 0.117 -0.223) 2.946 2.602 ( -0.362 -0.485 1.863) 1.959 2.703 ( -2.129 2.554 3.111) 4.554 2.820 ( 0.342 0.066 0.260) 0.435 4.375 ( -1.365 2.214 0.052) 2.602 4.485 ( 0.985 0.167 -0.792) 1.274 4.515 ( 0.080 1.377 -0.663) 1.530 4.694 ( 0.100 -2.475 0.162) 2.483 7.434 ( 0.291 0.023 -0.112) 0.312 7.457 ( -0.453 -0.550 -0.203) 0.741 9.995 ( -0.467 1.603 -0.066) 1.671 10.162 ( -0.867 -2.289 1.054) 2.665 21.023 ( 0.673 0.123 -1.979) 2.094 21.079 ( 1.435 1.959 1.492) 2.850 21.258 ( -0.705 -2.359 -2.429) 3.458 21.337 ( -0.404 -0.996 0.004) 1.075 ======================= Grid point 193 (104/111) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.796 0.115 -1.703) 1.884 0.541 ( 0.187 2.291 -3.993) 4.607 0.618 ( 4.009 -2.003 1.326) 4.674 0.703 ( 2.989 1.748 3.974) 5.271 0.780 ( -1.285 3.242 -1.005) 3.630 0.879 ( 1.974 0.330 0.403) 2.042 0.942 ( -0.753 -4.245 1.891) 4.708 0.981 ( -1.952 -0.046 0.914) 2.156 1.030 ( -0.568 -1.467 2.030) 2.568 1.138 ( -0.495 -2.474 -1.418) 2.894 1.250 ( -0.196 0.486 0.068) 0.528 1.271 ( -1.599 0.773 -0.431) 1.828 1.320 ( -2.225 0.962 -0.375) 2.453 1.370 ( 0.485 2.475 -0.972) 2.703 1.433 ( 3.216 -1.761 -0.459) 3.695 1.486 ( 0.325 -0.903 -2.494) 2.672 1.668 ( -2.588 1.889 -2.736) 4.214 1.764 ( -0.680 3.319 -0.978) 3.526 1.795 ( -0.855 0.822 -0.322) 1.230 1.905 ( 1.080 -1.049 -0.510) 1.590 1.966 ( -1.044 -1.059 1.120) 1.861 1.989 ( 1.788 -0.106 0.123) 1.796 2.132 ( -3.952 -1.067 0.902) 4.192 2.192 ( 0.763 0.443 -0.602) 1.069 2.295 ( -2.038 -1.467 -0.015) 2.512 2.432 ( 2.178 1.633 0.745) 2.822 2.465 ( -2.542 -1.026 -0.476) 2.782 2.581 ( -2.098 -0.560 1.213) 2.488 2.686 ( -0.202 2.089 6.332) 6.671 2.827 ( 0.314 -1.434 -0.147) 1.475 4.345 ( -1.527 2.584 0.129) 3.005 4.489 ( -0.428 -0.629 -0.531) 0.928 4.525 ( 0.969 1.987 -0.697) 2.318 4.697 ( 0.063 -2.002 -0.039) 2.004 7.431 ( -0.718 -0.017 -0.622) 0.950 7.453 ( 0.253 -0.595 0.157) 0.665 9.987 ( -0.205 1.579 -0.092) 1.595 10.138 ( -1.679 -1.976 1.292) 2.896 21.047 ( 2.013 -0.058 -1.547) 2.540 21.116 ( 1.922 2.571 1.117) 3.399 21.238 ( -0.612 -2.966 -2.734) 4.080 21.322 ( -0.924 -0.405 -0.482) 1.118 ======================= Grid point 194 (105/111) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.788 2.264 -2.087) 3.178 0.580 ( 3.666 -0.202 1.682) 4.038 0.693 ( 2.259 3.010 -1.432) 4.026 0.753 ( 1.238 1.189 1.661) 2.389 0.777 ( 1.134 0.992 0.834) 1.722 0.927 ( 1.176 -0.916 0.594) 1.605 0.938 ( 0.922 -0.844 -0.463) 1.333 0.953 ( -0.388 -0.234 -1.189) 1.272 1.024 ( -0.097 -2.027 2.593) 3.293 1.138 ( 0.723 -2.109 -1.648) 2.772 1.210 ( -3.669 1.784 -0.756) 4.149 1.231 ( -1.121 0.398 0.299) 1.227 1.284 ( -1.401 -1.277 0.346) 1.927 1.381 ( 0.628 1.249 -1.081) 1.768 1.443 ( -0.616 -1.230 -1.061) 1.737 1.528 ( 2.367 0.389 -3.421) 4.178 1.610 ( -2.013 2.824 -0.042) 3.468 1.729 ( -2.052 5.274 -0.826) 5.719 1.763 ( -2.057 0.284 -0.885) 2.258 1.934 ( 0.385 -1.920 -0.627) 2.057 1.952 ( 0.144 -1.909 0.881) 2.107 2.024 ( -1.345 1.960 -0.165) 2.383 2.061 ( -0.165 -0.589 1.647) 1.757 2.204 ( 0.625 0.206 0.729) 0.982 2.259 ( -1.270 -1.779 -0.296) 2.206 2.427 ( -1.000 -2.301 -0.482) 2.555 2.471 ( 1.405 2.564 0.858) 3.047 2.533 ( -2.454 -0.794 0.671) 2.665 2.714 ( 1.091 1.530 5.105) 5.440 2.829 ( -0.101 -1.818 -0.252) 1.838 4.316 ( -1.335 2.941 0.117) 3.232 4.474 ( -0.914 -0.548 0.180) 1.081 4.543 ( 0.944 1.535 -0.652) 1.917 4.695 ( -0.151 -1.708 -0.228) 1.729 7.411 ( -0.890 0.320 -0.544) 1.091 7.460 ( 0.311 -0.862 0.129) 0.925 9.989 ( 0.438 1.270 -0.147) 1.352 10.103 ( -1.924 -1.414 1.000) 2.589 21.091 ( 2.346 -0.495 -0.310) 2.417 21.160 ( 2.063 1.752 0.241) 2.717 21.221 ( -0.533 -2.184 -1.588) 2.753 21.298 ( -1.237 0.353 -0.901) 1.570 ======================= Grid point 195 (106/111) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -0.354 2.150 -0.719) 2.295 0.668 ( 3.478 -1.342 2.340) 4.401 0.703 ( 0.368 7.753 -0.467) 7.776 0.766 ( -1.790 0.023 -1.281) 2.201 0.805 ( 2.165 0.327 1.201) 2.497 0.890 ( -2.283 0.502 -1.023) 2.552 0.971 ( 1.628 -1.285 -0.702) 2.190 0.988 ( 2.091 -0.594 -0.961) 2.376 1.034 ( -0.384 -1.420 2.514) 2.913 1.136 ( -1.492 0.327 -0.554) 1.625 1.164 ( 0.752 -1.137 -1.050) 1.721 1.209 ( -1.197 1.442 0.794) 2.035 1.264 ( -0.491 -3.100 -0.126) 3.141 1.396 ( 0.880 0.949 1.212) 1.773 1.422 ( -0.893 -1.639 -2.341) 2.994 1.540 ( 0.120 2.636 -1.911) 3.258 1.599 ( 0.134 3.364 0.439) 3.395 1.695 ( -0.910 6.723 -0.522) 6.805 1.717 ( -1.769 -2.850 -0.009) 3.354 1.908 ( -1.463 1.922 0.635) 2.498 1.966 ( 0.223 -1.770 0.430) 1.835 1.988 ( -0.475 -1.190 -0.719) 1.469 2.093 ( 1.036 0.851 0.647) 1.488 2.222 ( 0.896 -1.178 0.675) 1.627 2.240 ( -0.686 -1.184 -0.455) 1.442 2.418 ( 0.031 -2.958 -0.413) 2.987 2.485 ( -0.575 -0.025 1.699) 1.794 2.502 ( -0.107 1.317 -0.763) 1.526 2.742 ( 0.613 1.771 1.934) 2.693 2.824 ( -0.242 -1.602 -0.196) 1.632 4.296 ( -0.563 3.160 0.045) 3.210 4.459 ( -0.445 -0.579 0.151) 0.746 4.557 ( 0.412 1.265 -0.234) 1.350 4.691 ( -0.141 -1.656 -0.136) 1.668 7.397 ( -0.371 0.594 -0.210) 0.731 7.465 ( 0.108 -1.020 0.042) 1.026 10.000 ( 0.573 0.820 -0.144) 1.010 10.072 ( -1.120 -0.843 0.446) 1.471 21.136 ( 1.979 -1.099 0.721) 2.376 21.173 ( -0.939 -1.784 -1.276) 2.385 21.229 ( 1.682 1.436 0.606) 2.294 21.268 ( -1.593 1.037 -0.929) 2.115 ======================= Grid point 200 (107/111) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 3.064 0.000) 3.064 0.557 ( 0.000 -2.626 0.000) 2.626 0.644 ( -0.000 1.895 0.000) 1.895 0.665 ( 0.000 0.195 0.000) 0.195 0.761 ( 0.000 1.609 0.000) 1.609 0.826 ( -0.000 -3.889 0.000) 3.889 0.998 ( -0.000 1.224 -0.000) 1.224 1.009 ( 0.000 0.493 0.000) 0.493 1.066 ( 0.000 2.023 0.000) 2.023 1.130 ( -0.000 -3.637 0.000) 3.637 1.159 ( -0.000 1.295 0.000) 1.295 1.206 ( 0.000 -3.280 0.000) 3.280 1.314 ( 0.000 1.753 0.000) 1.753 1.341 ( -0.000 -1.076 0.000) 1.076 1.502 ( 0.000 2.590 0.000) 2.590 1.537 ( -0.000 -0.891 0.000) 0.891 1.671 ( -0.000 -0.924 0.000) 0.924 1.686 ( 0.000 -2.780 0.000) 2.780 1.888 ( 0.000 5.501 0.000) 5.501 1.966 ( -0.000 -1.531 0.000) 1.531 1.971 ( 0.000 1.851 0.000) 1.851 2.020 ( -0.000 -2.922 0.000) 2.922 2.101 ( -0.000 1.026 0.000) 1.026 2.132 ( 0.000 -2.709 0.000) 2.709 2.336 ( -0.000 -0.179 0.000) 0.179 2.344 ( -0.000 -0.874 0.000) 0.874 2.590 ( -0.000 0.852 0.000) 0.852 2.593 ( 0.000 0.410 0.000) 0.410 2.774 ( -0.000 2.490 0.000) 2.490 2.814 ( -0.000 -1.305 0.000) 1.305 4.441 ( 0.000 2.571 0.000) 2.571 4.478 ( -0.000 -0.749 0.000) 0.749 4.548 ( 0.000 2.937 0.000) 2.937 4.623 ( -0.000 -4.124 0.000) 4.124 7.437 ( 0.000 0.464 0.000) 0.464 7.448 ( -0.000 -0.724 0.000) 0.724 10.045 ( 0.000 2.950 0.000) 2.950 10.110 ( -0.000 -3.412 0.000) 3.412 21.038 ( -0.000 1.510 0.000) 1.510 21.069 ( -0.000 -0.928 0.000) 0.928 21.256 ( -0.000 1.059 0.000) 1.059 21.300 ( 0.000 -2.651 0.000) 2.651 ======================= Grid point 202 (108/111) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 1.253 1.344 -1.076) 2.129 0.540 ( -0.959 -2.234 -0.945) 2.609 0.629 ( -0.758 3.456 -1.264) 3.757 0.678 ( 0.460 -0.657 3.121) 3.222 0.778 ( 1.605 1.420 2.008) 2.937 0.840 ( 0.765 -4.172 3.453) 5.469 0.956 ( -2.296 2.984 -0.672) 3.825 0.996 ( -0.998 -1.182 0.794) 1.738 1.046 ( -1.918 1.169 0.893) 2.417 1.097 ( -1.539 -3.471 -0.614) 3.846 1.233 ( 4.664 2.105 0.064) 5.118 1.280 ( 3.858 -2.479 -0.247) 4.593 1.314 ( 1.083 1.225 -0.350) 1.672 1.336 ( -0.100 -0.935 0.226) 0.968 1.470 ( -2.613 2.531 -1.440) 3.913 1.504 ( -2.494 -1.092 -2.175) 3.485 1.695 ( 2.168 -0.185 -1.436) 2.607 1.714 ( 2.330 -2.325 -0.154) 3.296 1.871 ( -1.388 4.463 -1.715) 4.978 1.939 ( -1.409 1.396 -0.408) 2.025 1.950 ( -2.480 -2.354 0.145) 3.422 1.987 ( -1.356 -1.408 2.114) 2.880 2.143 ( 1.175 -0.311 -0.000) 1.216 2.157 ( 2.251 -0.911 -0.092) 2.430 2.329 ( -0.405 1.238 0.261) 1.328 2.366 ( 1.812 -1.905 1.049) 2.831 2.552 ( -2.688 2.188 -0.297) 3.479 2.587 ( -1.421 -1.179 0.799) 2.012 2.756 ( -1.589 2.680 1.645) 3.524 2.802 ( -1.085 -1.821 1.049) 2.365 4.429 ( -0.986 2.911 -0.177) 3.078 4.474 ( -0.316 -1.506 -0.692) 1.687 4.560 ( 0.994 3.188 -0.243) 3.348 4.631 ( 0.651 -3.741 0.149) 3.800 7.437 ( 0.006 0.262 -0.147) 0.301 7.445 ( -0.280 -0.572 -0.199) 0.667 10.040 ( -0.478 2.954 0.244) 3.002 10.104 ( -0.639 -3.345 0.642) 3.465 21.044 ( 0.903 1.941 -1.948) 2.894 21.087 ( 1.493 -1.649 -0.270) 2.241 21.245 ( -0.831 1.672 -0.137) 1.872 21.297 ( -0.336 -2.813 0.819) 2.949 ======================= Grid point 203 (109/111) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 1.625 0.658 -0.529) 1.831 0.554 ( 1.819 -1.609 -0.072) 2.430 0.625 ( 1.340 3.288 0.471) 3.582 0.696 ( 0.844 -2.997 2.837) 4.213 0.827 ( 2.399 2.226 1.215) 3.491 0.877 ( 2.128 -2.563 2.777) 4.337 0.931 ( 0.236 4.040 -0.422) 4.069 0.985 ( -0.578 -1.245 0.360) 1.419 0.999 ( -2.650 1.002 1.096) 3.037 1.069 ( -0.941 -4.321 -1.574) 4.694 1.268 ( -0.882 1.013 -0.058) 1.344 1.279 ( -1.520 -0.008 -0.174) 1.530 1.347 ( -0.891 1.458 -0.673) 1.837 1.377 ( 0.745 -1.563 -1.510) 2.298 1.435 ( 1.432 1.728 -0.219) 2.255 1.464 ( 0.829 -1.205 -1.867) 2.372 1.714 ( -0.775 2.303 -2.860) 3.753 1.751 ( 0.628 -1.620 -1.430) 2.251 1.855 ( 1.149 1.863 -1.326) 2.559 1.901 ( -1.906 -2.437 1.056) 3.269 1.921 ( -0.482 2.016 0.104) 2.075 1.980 ( 0.269 -2.338 1.539) 2.812 2.133 ( -2.007 1.752 0.620) 2.735 2.180 ( -0.283 -2.169 0.894) 2.363 2.317 ( -0.870 4.018 -1.083) 4.251 2.406 ( 1.039 -3.893 -0.826) 4.113 2.499 ( -1.673 3.172 0.950) 3.710 2.551 ( -2.082 -1.963 2.350) 3.702 2.736 ( -0.661 2.577 2.928) 3.956 2.786 ( -0.600 -2.555 1.130) 2.857 4.406 ( -1.144 3.309 0.085) 3.502 4.462 ( -0.714 -2.180 -0.409) 2.330 4.579 ( 0.824 3.276 -0.500) 3.415 4.644 ( 0.536 -3.193 -0.150) 3.241 7.432 ( -0.426 0.225 -0.398) 0.625 7.440 ( -0.047 -0.589 -0.105) 0.600 10.030 ( -0.532 2.745 0.353) 2.818 10.088 ( -1.092 -2.973 0.859) 3.282 21.066 ( 1.686 2.001 -1.982) 3.282 21.118 ( 1.549 -2.651 -1.354) 3.355 21.232 ( -0.274 2.705 0.566) 2.777 21.291 ( -0.425 -2.629 0.833) 2.790 ======================= Grid point 204 (110/111) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -0.243 1.870 -0.108) 1.889 0.579 ( 2.658 -0.020 1.268) 2.945 0.703 ( 4.893 0.101 1.729) 5.191 0.732 ( 1.972 -2.510 1.869) 3.699 0.865 ( 1.303 5.008 -1.485) 5.383 0.923 ( 1.177 -0.999 -0.268) 1.567 0.948 ( -1.656 0.350 -0.269) 1.714 0.957 ( 0.859 2.434 1.426) 2.949 0.977 ( 0.798 -1.034 0.492) 1.396 1.064 ( 0.854 -5.045 -1.132) 5.241 1.232 ( -2.712 0.683 -0.524) 2.845 1.240 ( -1.650 -0.010 -0.863) 1.862 1.297 ( -2.489 2.339 0.415) 3.441 1.351 ( -1.341 -2.856 -0.909) 3.283 1.474 ( 1.401 2.797 -0.817) 3.233 1.519 ( 3.087 -1.462 -1.792) 3.857 1.667 ( -2.303 3.047 -1.518) 4.110 1.722 ( -2.407 -2.178 -2.510) 4.103 1.872 ( -0.882 4.507 2.590) 5.272 1.900 ( 1.930 -1.017 -0.692) 2.289 1.919 ( 0.158 0.559 -0.648) 0.870 2.005 ( 1.098 -4.722 1.359) 5.035 2.080 ( -2.628 3.682 0.764) 4.588 2.160 ( -1.503 -4.026 0.996) 4.411 2.293 ( -0.879 4.510 -1.365) 4.793 2.384 ( -1.758 -3.619 -2.151) 4.562 2.507 ( 0.942 1.227 1.505) 2.158 2.523 ( -1.011 0.229 2.290) 2.514 2.745 ( 0.670 1.595 3.004) 3.466 2.784 ( 0.026 -2.434 1.031) 2.644 4.384 ( -1.031 3.638 0.205) 3.787 4.445 ( -0.856 -2.382 0.034) 2.531 4.590 ( 0.427 2.980 -0.488) 3.049 4.649 ( 0.062 -2.864 -0.335) 2.885 7.422 ( -0.466 0.753 -0.340) 0.949 7.440 ( -0.002 -1.081 -0.087) 1.085 10.023 ( -0.218 2.122 0.266) 2.149 10.067 ( -1.116 -2.205 0.696) 2.568 21.097 ( 1.626 1.227 -1.045) 2.290 21.137 ( 0.667 -2.634 -1.543) 3.125 21.240 ( 0.763 2.685 0.900) 2.933 21.285 ( -0.343 -1.651 0.345) 1.721 ======================= Grid point 205 (111/111) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -0.123 3.379 -0.121) 3.383 0.624 ( 1.156 -3.052 0.838) 3.369 0.766 ( 0.858 1.037 1.072) 1.720 0.793 ( 2.627 -1.281 1.792) 3.428 0.870 ( 0.064 6.524 -1.538) 6.703 0.904 ( -1.875 1.115 -1.455) 2.622 0.936 ( 1.036 -1.211 -0.525) 1.678 0.991 ( 1.137 -3.075 1.333) 3.539 1.013 ( 1.475 2.522 -0.207) 2.929 1.083 ( 0.683 -4.146 -0.176) 4.205 1.176 ( -1.925 1.437 -0.430) 2.440 1.207 ( -1.158 -1.787 -0.386) 2.164 1.264 ( -0.879 3.011 0.413) 3.164 1.333 ( -0.425 -3.840 -0.033) 3.864 1.486 ( 0.371 4.558 -1.025) 4.687 1.569 ( 2.439 -2.576 -1.708) 3.938 1.626 ( -2.006 2.227 0.780) 3.098 1.671 ( -1.454 -1.389 -0.990) 2.242 1.861 ( -0.516 8.121 1.046) 8.204 1.917 ( 0.037 0.396 -0.799) 0.892 1.934 ( 1.322 -1.921 0.162) 2.338 1.987 ( -2.166 -1.348 0.896) 2.705 2.069 ( 0.579 -0.390 0.246) 0.740 2.138 ( -0.602 -5.119 0.051) 5.155 2.281 ( -0.152 3.310 -0.321) 3.329 2.353 ( -0.722 -3.733 -0.843) 3.894 2.504 ( -0.414 2.489 0.867) 2.668 2.534 ( 0.558 0.349 0.480) 0.815 2.765 ( 0.534 0.751 1.315) 1.606 2.787 ( 0.010 -1.739 0.406) 1.786 4.369 ( -0.440 3.842 0.097) 3.868 4.432 ( -0.408 -2.348 0.067) 2.384 4.595 ( 0.153 2.510 -0.184) 2.521 4.648 ( -0.090 -2.650 -0.177) 2.658 7.414 ( -0.191 1.146 -0.131) 1.169 7.440 ( -0.006 -1.407 -0.036) 1.408 10.022 ( 0.071 1.337 0.068) 1.341 10.049 ( -0.575 -1.351 0.292) 1.497 21.123 ( 1.042 -0.009 -0.015) 1.042 21.138 ( -0.256 -1.456 -0.822) 1.692 21.261 ( 0.941 1.395 0.561) 1.774 21.277 ( -0.559 -0.188 -0.174) 0.615 =================== 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 3/15120 10.0 3.156 3.192 5.556 0.000 0.105 0.000 3/15120 20.0 1.242 1.298 2.318 0.000 -0.007 0.000 3/15120 30.0 0.762 0.808 1.441 0.000 -0.013 0.000 3/15120 40.0 0.554 0.595 1.057 0.000 -0.013 0.000 3/15120 50.0 0.437 0.476 0.839 0.000 -0.012 0.000 3/15120 60.0 0.362 0.400 0.696 0.000 -0.010 0.000 3/15120 70.0 0.310 0.345 0.596 0.000 -0.009 0.000 3/15120 80.0 0.271 0.304 0.521 0.000 -0.008 0.000 3/15120 90.0 0.241 0.273 0.463 0.000 -0.008 0.000 3/15120 100.0 0.217 0.247 0.417 0.000 -0.007 0.000 3/15120 110.0 0.197 0.226 0.379 0.000 -0.006 0.000 3/15120 120.0 0.181 0.208 0.348 0.000 -0.006 0.000 3/15120 130.0 0.167 0.193 0.321 0.000 -0.005 0.000 3/15120 140.0 0.155 0.180 0.298 0.000 -0.005 0.000 3/15120 150.0 0.145 0.169 0.278 0.000 -0.005 0.000 3/15120 160.0 0.136 0.159 0.261 0.000 -0.005 0.000 3/15120 170.0 0.128 0.150 0.246 0.000 -0.004 0.000 3/15120 180.0 0.121 0.142 0.232 0.000 -0.004 0.000 3/15120 190.0 0.115 0.135 0.220 0.000 -0.004 0.000 3/15120 200.0 0.109 0.128 0.209 0.000 -0.004 0.000 3/15120 210.0 0.104 0.122 0.199 0.000 -0.004 0.000 3/15120 220.0 0.099 0.117 0.190 0.000 -0.003 0.000 3/15120 230.0 0.095 0.112 0.182 0.000 -0.003 0.000 3/15120 240.0 0.091 0.108 0.175 0.000 -0.003 0.000 3/15120 250.0 0.088 0.104 0.168 0.000 -0.003 0.000 3/15120 260.0 0.084 0.100 0.162 0.000 -0.003 0.000 3/15120 270.0 0.081 0.096 0.156 0.000 -0.003 0.000 3/15120 280.0 0.078 0.093 0.150 0.000 -0.003 0.000 3/15120 290.0 0.076 0.090 0.145 0.000 -0.003 0.000 3/15120 300.0 0.073 0.087 0.140 0.000 -0.003 0.000 3/15120 310.0 0.071 0.084 0.136 0.000 -0.002 0.000 3/15120 320.0 0.069 0.082 0.132 0.000 -0.002 0.000 3/15120 330.0 0.067 0.079 0.128 0.000 -0.002 0.000 3/15120 340.0 0.065 0.077 0.124 0.000 -0.002 0.000 3/15120 350.0 0.063 0.075 0.121 0.000 -0.002 0.000 3/15120 360.0 0.061 0.073 0.117 0.000 -0.002 0.000 3/15120 370.0 0.060 0.071 0.114 0.000 -0.002 0.000 3/15120 380.0 0.058 0.069 0.111 0.000 -0.002 0.000 3/15120 390.0 0.057 0.068 0.108 0.000 -0.002 0.000 3/15120 400.0 0.055 0.066 0.106 0.000 -0.002 0.000 3/15120 410.0 0.054 0.064 0.103 0.000 -0.002 0.000 3/15120 420.0 0.053 0.063 0.101 0.000 -0.002 0.000 3/15120 430.0 0.051 0.061 0.099 0.000 -0.002 0.000 3/15120 440.0 0.050 0.060 0.096 0.000 -0.002 0.000 3/15120 450.0 0.049 0.059 0.094 0.000 -0.002 0.000 3/15120 460.0 0.048 0.058 0.092 0.000 -0.002 0.000 3/15120 470.0 0.047 0.056 0.090 0.000 -0.002 0.000 3/15120 480.0 0.046 0.055 0.089 0.000 -0.002 0.000 3/15120 490.0 0.045 0.054 0.087 0.000 -0.002 0.000 3/15120 500.0 0.044 0.053 0.085 0.000 -0.002 0.000 3/15120 510.0 0.044 0.052 0.084 0.000 -0.002 0.000 3/15120 520.0 0.043 0.051 0.082 0.000 -0.002 0.000 3/15120 530.0 0.042 0.050 0.080 0.000 -0.002 0.000 3/15120 540.0 0.041 0.049 0.079 0.000 -0.001 0.000 3/15120 550.0 0.041 0.049 0.078 0.000 -0.001 0.000 3/15120 560.0 0.040 0.048 0.076 0.000 -0.001 0.000 3/15120 570.0 0.039 0.047 0.075 0.000 -0.001 0.000 3/15120 580.0 0.038 0.046 0.074 0.000 -0.001 0.000 3/15120 590.0 0.038 0.045 0.072 0.000 -0.001 0.000 3/15120 600.0 0.037 0.045 0.071 0.000 -0.001 0.000 3/15120 610.0 0.037 0.044 0.070 0.000 -0.001 0.000 3/15120 620.0 0.036 0.043 0.069 0.000 -0.001 0.000 3/15120 630.0 0.036 0.043 0.068 0.000 -0.001 0.000 3/15120 640.0 0.035 0.042 0.067 0.000 -0.001 0.000 3/15120 650.0 0.034 0.041 0.066 0.000 -0.001 0.000 3/15120 660.0 0.034 0.041 0.065 0.000 -0.001 0.000 3/15120 670.0 0.033 0.040 0.064 0.000 -0.001 0.000 3/15120 680.0 0.033 0.040 0.063 0.000 -0.001 0.000 3/15120 690.0 0.033 0.039 0.062 0.000 -0.001 0.000 3/15120 700.0 0.032 0.038 0.061 0.000 -0.001 0.000 3/15120 710.0 0.032 0.038 0.061 0.000 -0.001 0.000 3/15120 720.0 0.031 0.037 0.060 0.000 -0.001 0.000 3/15120 730.0 0.031 0.037 0.059 0.000 -0.001 0.000 3/15120 740.0 0.030 0.036 0.058 0.000 -0.001 0.000 3/15120 750.0 0.030 0.036 0.057 0.000 -0.001 0.000 3/15120 760.0 0.030 0.036 0.057 0.000 -0.001 0.000 3/15120 770.0 0.029 0.035 0.056 0.000 -0.001 0.000 3/15120 780.0 0.029 0.035 0.055 0.000 -0.001 0.000 3/15120 790.0 0.029 0.034 0.055 0.000 -0.001 0.000 3/15120 800.0 0.028 0.034 0.054 0.000 -0.001 0.000 3/15120 810.0 0.028 0.033 0.053 0.000 -0.001 0.000 3/15120 820.0 0.028 0.033 0.053 0.000 -0.001 0.000 3/15120 830.0 0.027 0.033 0.052 0.000 -0.001 0.000 3/15120 840.0 0.027 0.032 0.052 0.000 -0.001 0.000 3/15120 850.0 0.027 0.032 0.051 0.000 -0.001 0.000 3/15120 860.0 0.026 0.032 0.050 0.000 -0.001 0.000 3/15120 870.0 0.026 0.031 0.050 0.000 -0.001 0.000 3/15120 880.0 0.026 0.031 0.049 0.000 -0.001 0.000 3/15120 890.0 0.025 0.031 0.049 0.000 -0.001 0.000 3/15120 900.0 0.025 0.030 0.048 0.000 -0.001 0.000 3/15120 910.0 0.025 0.030 0.048 0.000 -0.001 0.000 3/15120 920.0 0.025 0.030 0.047 0.000 -0.001 0.000 3/15120 930.0 0.024 0.029 0.047 0.000 -0.001 0.000 3/15120 940.0 0.024 0.029 0.046 0.000 -0.001 0.000 3/15120 950.0 0.024 0.029 0.046 0.000 -0.001 0.000 3/15120 960.0 0.024 0.028 0.045 0.000 -0.001 0.000 3/15120 970.0 0.023 0.028 0.045 0.000 -0.001 0.000 3/15120 980.0 0.023 0.028 0.044 0.000 -0.001 0.000 3/15120 990.0 0.023 0.028 0.044 0.000 -0.001 0.000 3/15120 1000.0 0.023 0.027 0.044 0.000 -0.001 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m958.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:17:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|