----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:58:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976584336222897 -4.479305095000000 0.000000000000000 b 3.976584336222897 4.479305095000000 0.000000000000000 c -1.432825207728733 0.000000000000000 7.362153236584465 Atomic positions (fractional): *1 P 0.19719524727248 0.80280475272752 0.75000000000000 30.974 2 P 0.80280475272751 0.19719524727248 0.25000000000000 30.974 *3 P 0.16408739199100 0.07218333357866 0.96842215918834 30.974 4 P 0.07218333357866 0.16408739199100 0.46842215918834 30.974 5 P 0.83591260800900 0.92781666642134 0.03157784081166 30.974 6 P 0.92781666642134 0.83591260800900 0.53157784081166 30.974 *7 Cl 0.36555606086344 0.63444393913656 0.25000000000000 35.453 8 Cl 0.63444393913655 0.36555606086345 0.75000000000000 35.453 *9 Cd 0.39656637093040 0.08860021721971 0.29118176644038 112.411 10 Cd 0.08860021721971 0.39656637093040 0.79118176644038 112.411 11 Cd 0.91139978278029 0.60343362906960 0.20881823355962 112.411 12 Cd 0.60343362906960 0.91139978278029 0.70881823355962 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.953168672445793 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958610190000000 0.000000000000000 c -1.432825207728733 0.000000000000000 7.362153236584465 Atomic positions (fractional): *1 P 0.50000000000000 0.30280475272752 0.75000000000000 30.974 > 1 2 P 0.50000000000000 0.69719524727249 0.25000000000000 30.974 > 2 *3 P 0.11813536278483 0.95404797079383 0.96842215918834 30.974 > 3 4 P 0.11813536278483 0.04595202920617 0.46842215918834 30.974 > 4 5 P 0.88186463721517 0.04595202920617 0.03157784081166 30.974 > 5 6 P 0.88186463721517 0.95404797079383 0.53157784081166 30.974 > 6 7 P 0.00000000000000 0.80280475272751 0.75000000000000 30.974 > 1 8 P 0.00000000000000 0.19719524727248 0.25000000000000 30.974 > 2 9 P 0.61813536278483 0.45404797079383 0.96842215918834 30.974 > 3 10 P 0.61813536278483 0.54595202920617 0.46842215918834 30.974 > 4 11 P 0.38186463721517 0.54595202920617 0.03157784081166 30.974 > 5 12 P 0.38186463721517 0.45404797079383 0.53157784081166 30.974 > 6 *13 Cl 0.50000000000000 0.13444393913656 0.25000000000000 35.453 > 7 14 Cl 0.50000000000000 0.86555606086345 0.75000000000000 35.453 > 8 15 Cl 0.00000000000000 0.63444393913655 0.25000000000000 35.453 > 7 16 Cl 0.00000000000000 0.36555606086344 0.75000000000000 35.453 > 8 *17 Cd 0.24258329407506 0.84601692314466 0.29118176644038 112.411 > 9 18 Cd 0.24258329407506 0.15398307685534 0.79118176644038 112.411 > 10 19 Cd 0.75741670592494 0.84601692314466 0.20881823355962 112.411 > 11 20 Cd 0.75741670592494 0.15398307685534 0.70881823355962 112.411 > 12 21 Cd 0.74258329407506 0.34601692314466 0.29118176644038 112.411 > 9 22 Cd 0.74258329407506 0.65398307685534 0.79118176644038 112.411 > 10 23 Cd 0.25741670592494 0.34601692314466 0.20881823355962 112.411 > 11 24 Cd 0.25741670592494 0.65398307685534 0.70881823355962 112.411 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.906337344891586 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958610190000000 0.000000000000000 c -2.865650415457466 0.000000000000000 14.724306473168930 Atomic positions (fractional): *1 P 0.25000000000000 0.30280475272752 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.30280475272752 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.30280475272752 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.30280475272752 0.87500000000000 30.974 > 1 5 P 0.25000000000000 0.69719524727249 0.12500000000000 30.974 > 2 6 P 0.75000000000000 0.69719524727249 0.12500000000000 30.974 > 2 7 P 0.25000000000000 0.69719524727249 0.62500000000000 30.974 > 2 8 P 0.75000000000000 0.69719524727249 0.62500000000000 30.974 > 2 *9 P 0.05906768139242 0.95404797079383 0.48421107959417 30.974 > 3 10 P 0.55906768139242 0.95404797079383 0.48421107959417 30.974 > 3 11 P 0.05906768139242 0.95404797079383 0.98421107959417 30.974 > 3 12 P 0.55906768139242 0.95404797079383 0.98421107959417 30.974 > 3 13 P 0.05906768139242 0.04595202920617 0.23421107959417 30.974 > 4 14 P 0.55906768139242 0.04595202920617 0.23421107959417 30.974 > 4 15 P 0.05906768139242 0.04595202920617 0.73421107959417 30.974 > 4 16 P 0.55906768139242 0.04595202920617 0.73421107959417 30.974 > 4 17 P 0.44093231860759 0.04595202920617 0.01578892040583 30.974 > 5 18 P 0.94093231860759 0.04595202920617 0.01578892040583 30.974 > 5 19 P 0.44093231860759 0.04595202920617 0.51578892040583 30.974 > 5 20 P 0.94093231860759 0.04595202920617 0.51578892040583 30.974 > 5 21 P 0.44093231860759 0.95404797079383 0.26578892040583 30.974 > 6 22 P 0.94093231860759 0.95404797079383 0.26578892040583 30.974 > 6 23 P 0.44093231860759 0.95404797079383 0.76578892040583 30.974 > 6 24 P 0.94093231860759 0.95404797079383 0.76578892040583 30.974 > 6 25 P 0.00000000000000 0.80280475272751 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.80280475272751 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.80280475272751 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.80280475272751 0.87500000000000 30.974 > 1 29 P 0.00000000000000 0.19719524727248 0.12500000000000 30.974 > 2 30 P 0.50000000000000 0.19719524727248 0.12500000000000 30.974 > 2 31 P 0.00000000000000 0.19719524727248 0.62500000000000 30.974 > 2 32 P 0.50000000000000 0.19719524727248 0.62500000000000 30.974 > 2 33 P 0.30906768139241 0.45404797079383 0.48421107959417 30.974 > 3 34 P 0.80906768139241 0.45404797079383 0.48421107959417 30.974 > 3 35 P 0.30906768139241 0.45404797079383 0.98421107959417 30.974 > 3 36 P 0.80906768139241 0.45404797079383 0.98421107959417 30.974 > 3 37 P 0.30906768139241 0.54595202920617 0.23421107959417 30.974 > 4 38 P 0.80906768139241 0.54595202920617 0.23421107959417 30.974 > 4 39 P 0.30906768139241 0.54595202920617 0.73421107959417 30.974 > 4 40 P 0.80906768139241 0.54595202920617 0.73421107959417 30.974 > 4 41 P 0.19093231860758 0.54595202920617 0.01578892040583 30.974 > 5 42 P 0.69093231860758 0.54595202920617 0.01578892040583 30.974 > 5 43 P 0.19093231860758 0.54595202920617 0.51578892040583 30.974 > 5 44 P 0.69093231860758 0.54595202920617 0.51578892040583 30.974 > 5 45 P 0.19093231860758 0.45404797079383 0.26578892040583 30.974 > 6 46 P 0.69093231860758 0.45404797079383 0.26578892040583 30.974 > 6 47 P 0.19093231860758 0.45404797079383 0.76578892040583 30.974 > 6 48 P 0.69093231860758 0.45404797079383 0.76578892040583 30.974 > 6 *49 Cl 0.25000000000000 0.13444393913656 0.12500000000000 35.453 > 7 50 Cl 0.75000000000000 0.13444393913656 0.12500000000000 35.453 > 7 51 Cl 0.25000000000000 0.13444393913656 0.62500000000000 35.453 > 7 52 Cl 0.75000000000000 0.13444393913656 0.62500000000000 35.453 > 7 53 Cl 0.25000000000000 0.86555606086345 0.37500000000000 35.453 > 8 54 Cl 0.75000000000000 0.86555606086345 0.37500000000000 35.453 > 8 55 Cl 0.25000000000000 0.86555606086345 0.87500000000000 35.453 > 8 56 Cl 0.75000000000000 0.86555606086345 0.87500000000000 35.453 > 8 57 Cl 0.00000000000000 0.63444393913655 0.12500000000000 35.453 > 7 58 Cl 0.50000000000000 0.63444393913655 0.12500000000000 35.453 > 7 59 Cl 0.00000000000000 0.63444393913655 0.62500000000000 35.453 > 7 60 Cl 0.50000000000000 0.63444393913655 0.62500000000000 35.453 > 7 61 Cl 0.00000000000000 0.36555606086344 0.37500000000000 35.453 > 8 62 Cl 0.50000000000000 0.36555606086344 0.37500000000000 35.453 > 8 63 Cl 0.00000000000000 0.36555606086344 0.87500000000000 35.453 > 8 64 Cl 0.50000000000000 0.36555606086344 0.87500000000000 35.453 > 8 *65 Cd 0.12129164703753 0.84601692314466 0.14559088322019 112.411 > 9 66 Cd 0.62129164703753 0.84601692314466 0.14559088322019 112.411 > 9 67 Cd 0.12129164703753 0.84601692314466 0.64559088322019 112.411 > 9 68 Cd 0.62129164703753 0.84601692314466 0.64559088322019 112.411 > 9 69 Cd 0.12129164703753 0.15398307685534 0.39559088322019 112.411 > 10 70 Cd 0.62129164703753 0.15398307685534 0.39559088322019 112.411 > 10 71 Cd 0.12129164703753 0.15398307685534 0.89559088322019 112.411 > 10 72 Cd 0.62129164703753 0.15398307685534 0.89559088322019 112.411 > 10 73 Cd 0.37870835296247 0.84601692314466 0.10440911677981 112.411 > 11 74 Cd 0.87870835296247 0.84601692314466 0.10440911677981 112.411 > 11 75 Cd 0.37870835296247 0.84601692314466 0.60440911677981 112.411 > 11 76 Cd 0.87870835296247 0.84601692314466 0.60440911677981 112.411 > 11 77 Cd 0.37870835296247 0.15398307685534 0.35440911677981 112.411 > 12 78 Cd 0.87870835296247 0.15398307685534 0.35440911677981 112.411 > 12 79 Cd 0.37870835296247 0.15398307685534 0.85440911677981 112.411 > 12 80 Cd 0.87870835296247 0.15398307685534 0.85440911677981 112.411 > 12 81 Cd 0.37129164703753 0.34601692314466 0.14559088322019 112.411 > 9 82 Cd 0.87129164703753 0.34601692314466 0.14559088322019 112.411 > 9 83 Cd 0.37129164703753 0.34601692314466 0.64559088322019 112.411 > 9 84 Cd 0.87129164703753 0.34601692314466 0.64559088322019 112.411 > 9 85 Cd 0.37129164703753 0.65398307685534 0.39559088322019 112.411 > 10 86 Cd 0.87129164703753 0.65398307685534 0.39559088322019 112.411 > 10 87 Cd 0.37129164703753 0.65398307685534 0.89559088322019 112.411 > 10 88 Cd 0.87129164703753 0.65398307685534 0.89559088322019 112.411 > 10 89 Cd 0.12870835296247 0.34601692314466 0.10440911677981 112.411 > 11 90 Cd 0.62870835296247 0.34601692314466 0.10440911677981 112.411 > 11 91 Cd 0.12870835296247 0.34601692314466 0.60440911677981 112.411 > 11 92 Cd 0.62870835296247 0.34601692314466 0.60440911677981 112.411 > 11 93 Cd 0.12870835296247 0.65398307685534 0.35440911677981 112.411 > 12 94 Cd 0.62870835296247 0.65398307685534 0.35440911677981 112.411 > 12 95 Cd 0.12870835296247 0.65398307685534 0.85440911677981 112.411 > 12 96 Cd 0.62870835296247 0.65398307685534 0.85440911677981 112.411 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5339500 0.0000000 -0.1188101 0.0000000 8.4630267 0.0000000 -0.1188094 0.0000000 10.0968800 -------------------------- Born effective charges -------------------------- 1 P -0.8024859 0.0000000 0.2776624 0.0000000 -0.5086818 0.0000000 0.6400477 0.0000000 -0.2000869 2 P -0.8024859 0.0000000 0.2776624 0.0000000 -0.5086818 0.0000000 0.6400477 0.0000000 -0.2000869 3 P -0.5736700 -0.2542438 -0.1201256 -0.0711370 -0.7232869 0.3616931 -0.3282456 0.0934376 -1.3466635 4 P -0.5736700 0.2542438 -0.1201256 0.0711370 -0.7232869 -0.3616931 -0.3282456 -0.0934376 -1.3466635 5 P -0.5736700 -0.2542438 -0.1201256 -0.0711370 -0.7232869 0.3616931 -0.3282456 0.0934376 -1.3466635 6 P -0.5736700 0.2542438 -0.1201256 0.0711370 -0.7232869 -0.3616931 -0.3282456 -0.0934376 -1.3466635 7 Cl -2.2876731 0.0000000 -0.2284805 0.0000000 -2.0798468 0.0000000 -0.0802219 0.0000000 -1.2808799 8 Cl -2.2876731 0.0000000 -0.2284805 0.0000000 -2.0798468 0.0000000 -0.0802219 0.0000000 -1.2808799 9 Cd 2.1187495 -0.3385335 0.0955347 -0.3939916 2.0175512 -0.1369960 0.0483327 -0.1038716 2.0871470 10 Cd 2.1187495 0.3385335 0.0955347 0.3939916 2.0175512 0.1369960 0.0483327 0.1038716 2.0871470 11 Cd 2.1187495 0.3385335 0.0955347 0.3939916 2.0175512 0.1369960 0.0483327 0.1038716 2.0871470 12 Cd 2.1187495 -0.3385335 0.0955347 -0.3939916 2.0175512 -0.1369960 0.0483327 -0.1038716 2.0871470 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.640 Solver_block: 200 / 400 - Time: 1.582 Solver_block: 300 / 400 - Time: 1.585 Solver_block: 400 / 400 - Time: 1.582 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.424 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) 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 07:58:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:58:26]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976584336222897 -4.479305095000000 0.000000000000000 b 3.976584336222897 4.479305095000000 0.000000000000000 c -1.432825207728733 0.000000000000000 7.362153236584465 Atomic positions (fractional): 1 P 0.19719524727248 0.80280475272752 0.75000000000000 30.974 2 P 0.80280475272751 0.19719524727248 0.25000000000000 30.974 3 P 0.16408739199100 0.07218333357866 0.96842215918834 30.974 4 P 0.07218333357866 0.16408739199100 0.46842215918834 30.974 5 P 0.83591260800900 0.92781666642134 0.03157784081166 30.974 6 P 0.92781666642134 0.83591260800900 0.53157784081166 30.974 7 Cl 0.36555606086344 0.63444393913656 0.25000000000000 35.453 8 Cl 0.63444393913655 0.36555606086345 0.75000000000000 35.453 9 Cd 0.39656637093040 0.08860021721971 0.29118176644038 112.411 10 Cd 0.08860021721971 0.39656637093040 0.79118176644038 112.411 11 Cd 0.91139978278029 0.60343362906960 0.20881823355962 112.411 12 Cd 0.60343362906960 0.91139978278029 0.70881823355962 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.906337344891586 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958610190000000 0.000000000000000 c -2.865650415457466 0.000000000000000 14.724306473168930 Atomic positions (fractional): 1 P 0.25000000000000 0.30280475272752 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.30280475272752 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.30280475272752 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.30280475272752 0.87500000000000 30.974 > 1 5 P 0.25000000000000 0.69719524727249 0.12500000000000 30.974 > 5 6 P 0.75000000000000 0.69719524727249 0.12500000000000 30.974 > 5 7 P 0.25000000000000 0.69719524727249 0.62500000000000 30.974 > 5 8 P 0.75000000000000 0.69719524727249 0.62500000000000 30.974 > 5 9 P 0.05906768139242 0.95404797079383 0.48421107959417 30.974 > 9 10 P 0.55906768139242 0.95404797079383 0.48421107959417 30.974 > 9 11 P 0.05906768139242 0.95404797079383 0.98421107959417 30.974 > 9 12 P 0.55906768139242 0.95404797079383 0.98421107959417 30.974 > 9 13 P 0.05906768139242 0.04595202920617 0.23421107959417 30.974 > 13 14 P 0.55906768139242 0.04595202920617 0.23421107959417 30.974 > 13 15 P 0.05906768139242 0.04595202920617 0.73421107959417 30.974 > 13 16 P 0.55906768139242 0.04595202920617 0.73421107959417 30.974 > 13 17 P 0.44093231860759 0.04595202920617 0.01578892040583 30.974 > 17 18 P 0.94093231860759 0.04595202920617 0.01578892040583 30.974 > 17 19 P 0.44093231860759 0.04595202920617 0.51578892040583 30.974 > 17 20 P 0.94093231860759 0.04595202920617 0.51578892040583 30.974 > 17 21 P 0.44093231860759 0.95404797079383 0.26578892040583 30.974 > 21 22 P 0.94093231860759 0.95404797079383 0.26578892040583 30.974 > 21 23 P 0.44093231860759 0.95404797079383 0.76578892040583 30.974 > 21 24 P 0.94093231860759 0.95404797079383 0.76578892040583 30.974 > 21 25 P 0.00000000000000 0.80280475272751 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.80280475272751 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.80280475272751 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.80280475272751 0.87500000000000 30.974 > 1 29 P 0.00000000000000 0.19719524727248 0.12500000000000 30.974 > 5 30 P 0.50000000000000 0.19719524727248 0.12500000000000 30.974 > 5 31 P 0.00000000000000 0.19719524727248 0.62500000000000 30.974 > 5 32 P 0.50000000000000 0.19719524727248 0.62500000000000 30.974 > 5 33 P 0.30906768139241 0.45404797079383 0.48421107959417 30.974 > 9 34 P 0.80906768139241 0.45404797079383 0.48421107959417 30.974 > 9 35 P 0.30906768139241 0.45404797079383 0.98421107959417 30.974 > 9 36 P 0.80906768139241 0.45404797079383 0.98421107959417 30.974 > 9 37 P 0.30906768139241 0.54595202920617 0.23421107959417 30.974 > 13 38 P 0.80906768139241 0.54595202920617 0.23421107959417 30.974 > 13 39 P 0.30906768139241 0.54595202920617 0.73421107959417 30.974 > 13 40 P 0.80906768139241 0.54595202920617 0.73421107959417 30.974 > 13 41 P 0.19093231860758 0.54595202920617 0.01578892040583 30.974 > 17 42 P 0.69093231860758 0.54595202920617 0.01578892040583 30.974 > 17 43 P 0.19093231860758 0.54595202920617 0.51578892040583 30.974 > 17 44 P 0.69093231860758 0.54595202920617 0.51578892040583 30.974 > 17 45 P 0.19093231860758 0.45404797079383 0.26578892040583 30.974 > 21 46 P 0.69093231860758 0.45404797079383 0.26578892040583 30.974 > 21 47 P 0.19093231860758 0.45404797079383 0.76578892040583 30.974 > 21 48 P 0.69093231860758 0.45404797079383 0.76578892040583 30.974 > 21 49 Cl 0.25000000000000 0.13444393913656 0.12500000000000 35.453 > 49 50 Cl 0.75000000000000 0.13444393913656 0.12500000000000 35.453 > 49 51 Cl 0.25000000000000 0.13444393913656 0.62500000000000 35.453 > 49 52 Cl 0.75000000000000 0.13444393913656 0.62500000000000 35.453 > 49 53 Cl 0.25000000000000 0.86555606086345 0.37500000000000 35.453 > 53 54 Cl 0.75000000000000 0.86555606086345 0.37500000000000 35.453 > 53 55 Cl 0.25000000000000 0.86555606086345 0.87500000000000 35.453 > 53 56 Cl 0.75000000000000 0.86555606086345 0.87500000000000 35.453 > 53 57 Cl 0.00000000000000 0.63444393913655 0.12500000000000 35.453 > 49 58 Cl 0.50000000000000 0.63444393913655 0.12500000000000 35.453 > 49 59 Cl 0.00000000000000 0.63444393913655 0.62500000000000 35.453 > 49 60 Cl 0.50000000000000 0.63444393913655 0.62500000000000 35.453 > 49 61 Cl 0.00000000000000 0.36555606086344 0.37500000000000 35.453 > 53 62 Cl 0.50000000000000 0.36555606086344 0.37500000000000 35.453 > 53 63 Cl 0.00000000000000 0.36555606086344 0.87500000000000 35.453 > 53 64 Cl 0.50000000000000 0.36555606086344 0.87500000000000 35.453 > 53 65 Cd 0.12129164703753 0.84601692314466 0.14559088322019 112.411 > 65 66 Cd 0.62129164703753 0.84601692314466 0.14559088322019 112.411 > 65 67 Cd 0.12129164703753 0.84601692314466 0.64559088322019 112.411 > 65 68 Cd 0.62129164703753 0.84601692314466 0.64559088322019 112.411 > 65 69 Cd 0.12129164703753 0.15398307685534 0.39559088322019 112.411 > 69 70 Cd 0.62129164703753 0.15398307685534 0.39559088322019 112.411 > 69 71 Cd 0.12129164703753 0.15398307685534 0.89559088322019 112.411 > 69 72 Cd 0.62129164703753 0.15398307685534 0.89559088322019 112.411 > 69 73 Cd 0.37870835296247 0.84601692314466 0.10440911677981 112.411 > 73 74 Cd 0.87870835296247 0.84601692314466 0.10440911677981 112.411 > 73 75 Cd 0.37870835296247 0.84601692314466 0.60440911677981 112.411 > 73 76 Cd 0.87870835296247 0.84601692314466 0.60440911677981 112.411 > 73 77 Cd 0.37870835296247 0.15398307685534 0.35440911677981 112.411 > 77 78 Cd 0.87870835296247 0.15398307685534 0.35440911677981 112.411 > 77 79 Cd 0.37870835296247 0.15398307685534 0.85440911677981 112.411 > 77 80 Cd 0.87870835296247 0.15398307685534 0.85440911677981 112.411 > 77 81 Cd 0.37129164703753 0.34601692314466 0.14559088322019 112.411 > 65 82 Cd 0.87129164703753 0.34601692314466 0.14559088322019 112.411 > 65 83 Cd 0.37129164703753 0.34601692314466 0.64559088322019 112.411 > 65 84 Cd 0.87129164703753 0.34601692314466 0.64559088322019 112.411 > 65 85 Cd 0.37129164703753 0.65398307685534 0.39559088322019 112.411 > 69 86 Cd 0.87129164703753 0.65398307685534 0.39559088322019 112.411 > 69 87 Cd 0.37129164703753 0.65398307685534 0.89559088322019 112.411 > 69 88 Cd 0.87129164703753 0.65398307685534 0.89559088322019 112.411 > 69 89 Cd 0.12870835296247 0.34601692314466 0.10440911677981 112.411 > 73 90 Cd 0.62870835296247 0.34601692314466 0.10440911677981 112.411 > 73 91 Cd 0.12870835296247 0.34601692314466 0.60440911677981 112.411 > 73 92 Cd 0.62870835296247 0.34601692314466 0.60440911677981 112.411 > 73 93 Cd 0.12870835296247 0.65398307685534 0.35440911677981 112.411 > 77 94 Cd 0.62870835296247 0.65398307685534 0.35440911677981 112.411 > 77 95 Cd 0.12870835296247 0.65398307685534 0.85440911677981 112.411 > 77 96 Cd 0.62870835296247 0.65398307685534 0.85440911677981 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5339500 0.0000000 -0.1188101 0.0000000 8.4630267 0.0000000 -0.1188094 0.0000000 10.0968800 -------------------------- Born effective charges -------------------------- 1 P -0.8024859 0.0000000 0.2776624 0.0000000 -0.5086818 0.0000000 0.6400477 0.0000000 -0.2000869 2 P -0.8024859 0.0000000 0.2776624 0.0000000 -0.5086818 0.0000000 0.6400477 0.0000000 -0.2000869 3 P -0.5736700 -0.2542438 -0.1201256 -0.0711370 -0.7232869 0.3616931 -0.3282456 0.0934376 -1.3466635 4 P -0.5736700 0.2542438 -0.1201256 0.0711370 -0.7232869 -0.3616931 -0.3282456 -0.0934376 -1.3466635 5 P -0.5736700 -0.2542438 -0.1201256 -0.0711370 -0.7232869 0.3616931 -0.3282456 0.0934376 -1.3466635 6 P -0.5736700 0.2542438 -0.1201256 0.0711370 -0.7232869 -0.3616931 -0.3282456 -0.0934376 -1.3466635 7 Cl -2.2876731 0.0000000 -0.2284805 0.0000000 -2.0798468 0.0000000 -0.0802219 0.0000000 -1.2808799 8 Cl -2.2876731 0.0000000 -0.2284805 0.0000000 -2.0798468 0.0000000 -0.0802219 0.0000000 -1.2808799 9 Cd 2.1187495 -0.3385335 0.0955347 -0.3939916 2.0175512 -0.1369960 0.0483327 -0.1038716 2.0871470 10 Cd 2.1187495 0.3385335 0.0955347 0.3939916 2.0175512 0.1369960 0.0483327 0.1038716 2.0871470 11 Cd 2.1187495 0.3385335 0.0955347 0.3939916 2.0175512 0.1369960 0.0483327 0.1038716 2.0871470 12 Cd 2.1187495 -0.3385335 0.0955347 -0.3939916 2.0175512 -0.1369960 0.0483327 -0.1038716 2.0871470 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 9, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 07:58:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:58:39]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976584336222897 -4.479305095000000 0.000000000000000 b 3.976584336222897 4.479305095000000 0.000000000000000 c -1.432825207728733 0.000000000000000 7.362153236584465 Atomic positions (fractional): 1 P 0.19719524727248 0.80280475272752 0.75000000000000 30.974 2 P 0.80280475272751 0.19719524727248 0.25000000000000 30.974 3 P 0.16408739199100 0.07218333357866 0.96842215918834 30.974 4 P 0.07218333357866 0.16408739199100 0.46842215918834 30.974 5 P 0.83591260800900 0.92781666642134 0.03157784081166 30.974 6 P 0.92781666642134 0.83591260800900 0.53157784081166 30.974 7 Cl 0.36555606086344 0.63444393913656 0.25000000000000 35.453 8 Cl 0.63444393913655 0.36555606086345 0.75000000000000 35.453 9 Cd 0.39656637093040 0.08860021721971 0.29118176644038 112.411 10 Cd 0.08860021721971 0.39656637093040 0.79118176644038 112.411 11 Cd 0.91139978278029 0.60343362906960 0.20881823355962 112.411 12 Cd 0.60343362906960 0.91139978278029 0.70881823355962 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.906337344891586 0.000000000000000 0.000000000000000 b 0.000000000000000 8.958610190000000 0.000000000000000 c -2.865650415457466 0.000000000000000 14.724306473168930 Atomic positions (fractional): 1 P 0.25000000000000 0.30280475272752 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.30280475272752 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.30280475272752 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.30280475272752 0.87500000000000 30.974 > 1 5 P 0.25000000000000 0.69719524727249 0.12500000000000 30.974 > 5 6 P 0.75000000000000 0.69719524727249 0.12500000000000 30.974 > 5 7 P 0.25000000000000 0.69719524727249 0.62500000000000 30.974 > 5 8 P 0.75000000000000 0.69719524727249 0.62500000000000 30.974 > 5 9 P 0.05906768139242 0.95404797079383 0.48421107959417 30.974 > 9 10 P 0.55906768139242 0.95404797079383 0.48421107959417 30.974 > 9 11 P 0.05906768139242 0.95404797079383 0.98421107959417 30.974 > 9 12 P 0.55906768139242 0.95404797079383 0.98421107959417 30.974 > 9 13 P 0.05906768139242 0.04595202920617 0.23421107959417 30.974 > 13 14 P 0.55906768139242 0.04595202920617 0.23421107959417 30.974 > 13 15 P 0.05906768139242 0.04595202920617 0.73421107959417 30.974 > 13 16 P 0.55906768139242 0.04595202920617 0.73421107959417 30.974 > 13 17 P 0.44093231860759 0.04595202920617 0.01578892040583 30.974 > 17 18 P 0.94093231860759 0.04595202920617 0.01578892040583 30.974 > 17 19 P 0.44093231860759 0.04595202920617 0.51578892040583 30.974 > 17 20 P 0.94093231860759 0.04595202920617 0.51578892040583 30.974 > 17 21 P 0.44093231860759 0.95404797079383 0.26578892040583 30.974 > 21 22 P 0.94093231860759 0.95404797079383 0.26578892040583 30.974 > 21 23 P 0.44093231860759 0.95404797079383 0.76578892040583 30.974 > 21 24 P 0.94093231860759 0.95404797079383 0.76578892040583 30.974 > 21 25 P 0.00000000000000 0.80280475272751 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.80280475272751 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.80280475272751 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.80280475272751 0.87500000000000 30.974 > 1 29 P 0.00000000000000 0.19719524727248 0.12500000000000 30.974 > 5 30 P 0.50000000000000 0.19719524727248 0.12500000000000 30.974 > 5 31 P 0.00000000000000 0.19719524727248 0.62500000000000 30.974 > 5 32 P 0.50000000000000 0.19719524727248 0.62500000000000 30.974 > 5 33 P 0.30906768139241 0.45404797079383 0.48421107959417 30.974 > 9 34 P 0.80906768139241 0.45404797079383 0.48421107959417 30.974 > 9 35 P 0.30906768139241 0.45404797079383 0.98421107959417 30.974 > 9 36 P 0.80906768139241 0.45404797079383 0.98421107959417 30.974 > 9 37 P 0.30906768139241 0.54595202920617 0.23421107959417 30.974 > 13 38 P 0.80906768139241 0.54595202920617 0.23421107959417 30.974 > 13 39 P 0.30906768139241 0.54595202920617 0.73421107959417 30.974 > 13 40 P 0.80906768139241 0.54595202920617 0.73421107959417 30.974 > 13 41 P 0.19093231860758 0.54595202920617 0.01578892040583 30.974 > 17 42 P 0.69093231860758 0.54595202920617 0.01578892040583 30.974 > 17 43 P 0.19093231860758 0.54595202920617 0.51578892040583 30.974 > 17 44 P 0.69093231860758 0.54595202920617 0.51578892040583 30.974 > 17 45 P 0.19093231860758 0.45404797079383 0.26578892040583 30.974 > 21 46 P 0.69093231860758 0.45404797079383 0.26578892040583 30.974 > 21 47 P 0.19093231860758 0.45404797079383 0.76578892040583 30.974 > 21 48 P 0.69093231860758 0.45404797079383 0.76578892040583 30.974 > 21 49 Cl 0.25000000000000 0.13444393913656 0.12500000000000 35.453 > 49 50 Cl 0.75000000000000 0.13444393913656 0.12500000000000 35.453 > 49 51 Cl 0.25000000000000 0.13444393913656 0.62500000000000 35.453 > 49 52 Cl 0.75000000000000 0.13444393913656 0.62500000000000 35.453 > 49 53 Cl 0.25000000000000 0.86555606086345 0.37500000000000 35.453 > 53 54 Cl 0.75000000000000 0.86555606086345 0.37500000000000 35.453 > 53 55 Cl 0.25000000000000 0.86555606086345 0.87500000000000 35.453 > 53 56 Cl 0.75000000000000 0.86555606086345 0.87500000000000 35.453 > 53 57 Cl 0.00000000000000 0.63444393913655 0.12500000000000 35.453 > 49 58 Cl 0.50000000000000 0.63444393913655 0.12500000000000 35.453 > 49 59 Cl 0.00000000000000 0.63444393913655 0.62500000000000 35.453 > 49 60 Cl 0.50000000000000 0.63444393913655 0.62500000000000 35.453 > 49 61 Cl 0.00000000000000 0.36555606086344 0.37500000000000 35.453 > 53 62 Cl 0.50000000000000 0.36555606086344 0.37500000000000 35.453 > 53 63 Cl 0.00000000000000 0.36555606086344 0.87500000000000 35.453 > 53 64 Cl 0.50000000000000 0.36555606086344 0.87500000000000 35.453 > 53 65 Cd 0.12129164703753 0.84601692314466 0.14559088322019 112.411 > 65 66 Cd 0.62129164703753 0.84601692314466 0.14559088322019 112.411 > 65 67 Cd 0.12129164703753 0.84601692314466 0.64559088322019 112.411 > 65 68 Cd 0.62129164703753 0.84601692314466 0.64559088322019 112.411 > 65 69 Cd 0.12129164703753 0.15398307685534 0.39559088322019 112.411 > 69 70 Cd 0.62129164703753 0.15398307685534 0.39559088322019 112.411 > 69 71 Cd 0.12129164703753 0.15398307685534 0.89559088322019 112.411 > 69 72 Cd 0.62129164703753 0.15398307685534 0.89559088322019 112.411 > 69 73 Cd 0.37870835296247 0.84601692314466 0.10440911677981 112.411 > 73 74 Cd 0.87870835296247 0.84601692314466 0.10440911677981 112.411 > 73 75 Cd 0.37870835296247 0.84601692314466 0.60440911677981 112.411 > 73 76 Cd 0.87870835296247 0.84601692314466 0.60440911677981 112.411 > 73 77 Cd 0.37870835296247 0.15398307685534 0.35440911677981 112.411 > 77 78 Cd 0.87870835296247 0.15398307685534 0.35440911677981 112.411 > 77 79 Cd 0.37870835296247 0.15398307685534 0.85440911677981 112.411 > 77 80 Cd 0.87870835296247 0.15398307685534 0.85440911677981 112.411 > 77 81 Cd 0.37129164703753 0.34601692314466 0.14559088322019 112.411 > 65 82 Cd 0.87129164703753 0.34601692314466 0.14559088322019 112.411 > 65 83 Cd 0.37129164703753 0.34601692314466 0.64559088322019 112.411 > 65 84 Cd 0.87129164703753 0.34601692314466 0.64559088322019 112.411 > 65 85 Cd 0.37129164703753 0.65398307685534 0.39559088322019 112.411 > 69 86 Cd 0.87129164703753 0.65398307685534 0.39559088322019 112.411 > 69 87 Cd 0.37129164703753 0.65398307685534 0.89559088322019 112.411 > 69 88 Cd 0.87129164703753 0.65398307685534 0.89559088322019 112.411 > 69 89 Cd 0.12870835296247 0.34601692314466 0.10440911677981 112.411 > 73 90 Cd 0.62870835296247 0.34601692314466 0.10440911677981 112.411 > 73 91 Cd 0.12870835296247 0.34601692314466 0.60440911677981 112.411 > 73 92 Cd 0.62870835296247 0.34601692314466 0.60440911677981 112.411 > 73 93 Cd 0.12870835296247 0.65398307685534 0.35440911677981 112.411 > 77 94 Cd 0.62870835296247 0.65398307685534 0.35440911677981 112.411 > 77 95 Cd 0.12870835296247 0.65398307685534 0.85440911677981 112.411 > 77 96 Cd 0.62870835296247 0.65398307685534 0.85440911677981 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5339500 0.0000000 -0.1188101 0.0000000 8.4630267 0.0000000 -0.1188094 0.0000000 10.0968800 -------------------------- Born effective charges -------------------------- 1 P -0.8024859 0.0000000 0.2776624 0.0000000 -0.5086818 0.0000000 0.6400477 0.0000000 -0.2000869 2 P -0.8024859 0.0000000 0.2776624 0.0000000 -0.5086818 0.0000000 0.6400477 0.0000000 -0.2000869 3 P -0.5736700 -0.2542438 -0.1201256 -0.0711370 -0.7232869 0.3616931 -0.3282456 0.0934376 -1.3466635 4 P -0.5736700 0.2542438 -0.1201256 0.0711370 -0.7232869 -0.3616931 -0.3282456 -0.0934376 -1.3466635 5 P -0.5736700 -0.2542438 -0.1201256 -0.0711370 -0.7232869 0.3616931 -0.3282456 0.0934376 -1.3466635 6 P -0.5736700 0.2542438 -0.1201256 0.0711370 -0.7232869 -0.3616931 -0.3282456 -0.0934376 -1.3466635 7 Cl -2.2876731 0.0000000 -0.2284805 0.0000000 -2.0798468 0.0000000 -0.0802219 0.0000000 -1.2808799 8 Cl -2.2876731 0.0000000 -0.2284805 0.0000000 -2.0798468 0.0000000 -0.0802219 0.0000000 -1.2808799 9 Cd 2.1187495 -0.3385335 0.0955347 -0.3939916 2.0175512 -0.1369960 0.0483327 -0.1038716 2.0871470 10 Cd 2.1187495 0.3385335 0.0955347 0.3939916 2.0175512 0.1369960 0.0483327 0.1038716 2.0871470 11 Cd 2.1187495 0.3385335 0.0955347 0.3939916 2.0175512 0.1369960 0.0483327 0.1038716 2.0871470 12 Cd 2.1187495 -0.3385335 0.0955347 -0.3939916 2.0175512 -0.1369960 0.0483327 -0.1038716 2.0871470 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- 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 ... [ 8 8 7 ] 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: 0.65, Number of G-points: 295, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.946 ( 0.000 0.000 0.000) 0.000 14.050 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 10.506 -9.476 0.498) 14.157 0.464 ( 14.651 -13.315 6.646) 20.883 0.858 ( 26.188 -16.402 -3.123) 31.058 1.200 ( 10.157 -5.304 0.606) 11.474 1.793 ( 6.054 -0.962 -1.884) 6.413 1.803 ( 0.147 0.399 3.714) 3.738 1.988 ( -0.199 3.080 4.003) 5.055 2.057 ( -3.676 -0.931 1.130) 3.957 2.129 ( -1.678 1.204 -1.025) 2.306 2.289 ( 5.437 -8.666 -1.240) 10.305 2.296 ( -3.845 -2.956 3.459) 5.958 2.558 ( 5.542 -1.728 -4.113) 7.114 2.761 ( 1.503 0.612 0.888) 1.850 3.255 ( -6.179 -0.064 6.834) 9.214 3.407 ( 3.223 -1.053 -0.426) 3.417 4.278 ( 3.581 -2.416 -0.817) 4.397 4.399 ( 11.024 6.952 -0.310) 13.037 4.869 ( 2.308 -2.015 0.323) 3.081 5.018 ( 3.678 3.551 -0.463) 5.133 5.253 ( 0.619 -1.109 -1.592) 2.037 5.386 ( -4.970 -4.115 6.106) 8.883 6.104 ( 0.618 2.156 -2.353) 3.250 7.040 ( -7.234 1.061 0.682) 7.343 8.344 ( -4.003 4.142 -1.533) 5.961 8.790 ( 0.893 2.989 -1.395) 3.418 9.710 ( -7.944 -3.595 -6.170) 10.682 9.846 ( -0.168 9.072 1.539) 9.203 10.013 ( 5.331 -4.143 4.955) 8.374 10.218 ( 2.117 -4.606 -1.969) 5.438 10.588 ( 3.031 -1.149 -1.222) 3.464 13.113 ( -0.074 -0.196 0.064) 0.219 13.238 ( -0.044 1.180 1.569) 1.964 13.374 ( -0.157 -0.400 0.572) 0.715 13.538 ( 0.931 -1.804 -0.123) 2.034 13.945 ( -0.041 0.042 -0.306) 0.311 14.045 ( -0.375 0.221 0.165) 0.465 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 5.368 -6.269 0.033) 8.253 0.838 ( 9.908 -8.547 5.138) 14.057 1.218 ( 13.587 -0.095 0.124) 13.588 1.438 ( 8.579 -1.941 -3.969) 9.650 1.801 ( -0.226 0.921 5.670) 5.749 1.916 ( 2.674 -2.165 -0.440) 3.469 1.954 ( -1.520 0.936 2.391) 2.984 2.041 ( 0.219 -0.791 0.707) 1.083 2.070 ( -4.366 -0.323 -0.863) 4.462 2.318 ( 0.370 -2.452 3.999) 4.706 2.570 ( 8.693 -2.954 -5.094) 10.499 2.625 ( 1.431 -5.070 2.816) 5.974 2.939 ( 15.126 -14.741 -5.778) 21.896 3.171 ( -5.918 -0.690 4.149) 7.260 3.482 ( 2.997 -2.924 1.181) 4.351 4.387 ( 4.969 -3.306 -1.526) 6.160 4.493 ( 8.995 2.768 -1.158) 9.482 4.956 ( 3.570 -2.696 0.632) 4.518 5.036 ( 0.394 -1.916 1.772) 2.639 5.271 ( -0.318 -1.089 -0.986) 1.503 5.381 ( -2.221 -0.941 2.956) 3.815 6.054 ( -0.068 4.357 -3.770) 5.762 6.866 ( -9.485 4.678 1.961) 10.756 8.196 ( -4.698 5.360 -2.027) 7.410 8.733 ( -0.574 4.675 -0.818) 4.780 9.636 ( -6.245 -4.755 -6.465) 10.169 9.733 ( 0.463 8.281 4.654) 9.511 10.168 ( 3.462 -5.474 4.380) 7.819 10.291 ( 1.993 -1.814 -1.611) 3.140 10.665 ( 4.009 -1.922 -1.793) 4.794 13.116 ( -0.069 -0.303 0.064) 0.318 13.225 ( -0.010 0.955 0.409) 1.039 13.382 ( 0.012 -0.583 0.892) 1.066 13.582 ( 1.005 -2.014 -0.178) 2.258 13.943 ( -0.025 -0.010 -0.483) 0.484 14.035 ( -0.530 0.310 0.244) 0.661 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 1.022 -2.287 -0.245) 2.517 1.011 ( 2.516 -0.731 2.770) 3.813 1.387 ( 8.614 0.965 0.694) 8.695 1.540 ( 5.599 -0.526 -3.598) 6.676 1.814 ( 0.881 0.503 5.170) 5.268 1.929 ( -0.737 -0.336 -0.034) 0.810 1.961 ( 0.420 -0.905 1.269) 1.614 1.998 ( -3.135 -0.193 -1.759) 3.600 2.057 ( -2.180 -1.669 0.831) 2.869 2.373 ( 1.329 -1.092 2.628) 3.140 2.572 ( -0.644 0.497 -2.480) 2.610 2.777 ( 7.183 -1.297 1.547) 7.461 3.036 ( -7.171 0.733 2.368) 7.587 3.431 ( 7.713 -7.250 -5.857) 12.098 3.703 ( 14.299 -16.772 1.032) 22.064 4.495 ( 3.373 -2.570 -1.343) 4.448 4.568 ( 5.037 2.742 -0.619) 5.768 5.006 ( -1.252 -0.537 2.006) 2.425 5.121 ( 4.143 -3.050 2.144) 5.573 5.256 ( -2.059 0.193 -0.821) 2.225 5.356 ( -2.252 -0.041 0.798) 2.389 5.966 ( -0.909 4.682 -3.261) 5.778 6.664 ( -7.463 4.237 2.069) 8.828 8.063 ( -2.925 3.548 -1.507) 4.838 8.655 ( -1.036 3.541 -0.616) 3.741 9.605 ( -4.178 -5.046 -5.803) 8.752 9.660 ( 1.503 6.534 5.310) 8.552 10.284 ( -1.362 -6.494 3.758) 7.625 10.328 ( 4.314 2.463 -2.153) 5.414 10.738 ( 2.514 -1.360 -1.265) 3.126 13.119 ( 0.000 -0.259 0.041) 0.262 13.214 ( -0.043 0.545 0.067) 0.550 13.394 ( 0.127 -0.478 0.668) 0.832 13.617 ( 0.534 -1.137 -0.108) 1.261 13.942 ( 0.015 -0.074 -0.384) 0.391 14.024 ( -0.374 0.218 0.181) 0.469 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 -0.000 0.000) 0.000 1.022 ( 0.000 -0.000 0.000) 0.000 1.452 ( 0.000 -0.000 0.000) 0.000 1.594 ( 0.000 -0.000 0.000) 0.000 1.827 ( 0.000 -0.000 0.000) 0.000 1.930 ( 0.000 -0.000 0.000) 0.000 1.941 ( 0.000 0.000 -0.000) 0.000 2.022 ( -0.000 -0.000 -0.000) 0.000 2.026 ( 0.000 -0.000 0.000) 0.000 2.395 ( 0.000 -0.000 -0.000) 0.000 2.558 ( 0.000 -0.000 0.000) 0.000 2.902 ( -0.000 0.000 0.000) 0.000 2.918 ( 0.000 -0.000 -0.000) 0.000 3.500 ( 0.000 -0.000 -0.000) 0.000 4.035 ( 0.000 -0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 -0.000 -0.000) 0.000 4.979 ( 0.000 -0.000 0.000) 0.000 5.194 ( -0.000 -0.000 -0.000) 0.000 5.227 ( 0.000 -0.000 0.000) 0.000 5.336 ( 0.000 -0.000 -0.000) 0.000 5.913 ( 0.000 -0.000 -0.000) 0.000 6.572 ( 0.000 -0.000 0.000) 0.000 8.011 ( 0.000 -0.000 -0.000) 0.000 8.618 ( 0.000 -0.000 -0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.632 ( -0.000 -0.000 -0.000) 0.000 10.321 ( -0.000 -0.000 0.000) 0.000 10.346 ( 0.000 0.000 -0.000) 0.000 10.766 ( 0.000 -0.000 0.000) 0.000 13.122 ( 0.000 -0.000 0.000) 0.000 13.210 ( 0.000 -0.000 0.000) 0.000 13.400 ( 0.000 -0.000 0.000) 0.000 13.629 ( 0.000 -0.000 0.000) 0.000 13.942 ( 0.000 -0.000 0.000) 0.000 14.020 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 17.834 -0.000 7.814) 19.471 0.723 ( 23.491 -0.000 -1.201) 23.522 1.244 ( 29.458 -0.000 -5.076) 29.892 1.276 ( 6.724 -0.000 1.663) 6.927 1.822 ( 0.687 -0.000 6.741) 6.776 1.904 ( 8.798 -0.000 -2.353) 9.108 1.988 ( -3.542 0.000 2.143) 4.140 2.034 ( -0.576 0.000 1.257) 1.383 2.153 ( -1.688 0.000 -3.116) 3.543 2.183 ( 6.144 -0.000 -0.412) 6.158 2.318 ( 4.351 -0.000 2.477) 5.006 2.601 ( 2.023 -0.000 -6.588) 6.892 2.821 ( 5.461 -0.000 3.437) 6.453 3.164 ( -8.048 0.000 9.664) 12.576 3.442 ( 2.891 -0.000 -1.903) 3.461 4.337 ( 5.949 -0.000 -0.823) 6.005 4.581 ( 7.399 -0.000 -0.387) 7.409 4.912 ( 4.848 -0.000 0.483) 4.872 5.093 ( -1.299 0.000 -6.289) 6.421 5.149 ( -3.469 0.000 -0.381) 3.490 5.388 ( 1.876 -0.000 9.700) 9.880 6.120 ( 0.589 -0.000 -4.548) 4.586 6.923 ( -9.517 0.000 1.990) 9.723 8.277 ( -6.817 0.000 -2.468) 7.250 8.805 ( -1.599 0.000 -1.259) 2.035 9.559 ( -5.410 0.000 -7.212) 9.015 9.923 ( -0.375 0.000 -0.143) 0.402 10.021 ( -0.525 0.000 10.078) 10.091 10.265 ( 8.019 -0.000 -3.004) 8.563 10.634 ( 4.217 -0.000 -2.027) 4.678 13.112 ( 0.052 -0.000 0.187) 0.194 13.243 ( -0.597 0.000 0.820) 1.015 13.372 ( -0.074 0.000 1.083) 1.085 13.550 ( 2.052 -0.000 -0.013) 2.052 13.943 ( -0.023 0.000 -0.598) 0.599 14.039 ( -0.667 0.000 0.388) 0.771 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 13.581 -0.614 4.816) 14.423 0.988 ( 21.206 10.807 1.114) 23.827 1.360 ( 2.037 -2.209 1.447) 3.335 1.523 ( 8.012 0.168 -6.338) 10.217 1.857 ( 1.537 1.866 8.522) 8.858 1.935 ( -1.807 1.030 1.692) 2.681 1.979 ( 1.427 -0.412 -1.692) 2.252 2.008 ( -1.353 1.791 -2.477) 3.343 2.084 ( 4.241 5.493 -1.724) 7.150 2.335 ( 4.504 0.704 3.705) 5.875 2.576 ( -0.412 -1.024 -2.559) 2.787 2.684 ( 19.684 -12.115 -3.743) 23.415 2.977 ( 9.946 -7.152 -0.386) 12.257 3.078 ( -5.411 -2.129 7.947) 9.847 3.498 ( 3.299 -1.891 -0.050) 3.802 4.441 ( 5.921 -1.145 -0.584) 6.059 4.680 ( 8.393 3.673 -0.560) 9.179 4.998 ( 0.162 1.557 0.073) 1.568 5.029 ( 4.019 -1.757 -0.060) 4.387 5.165 ( -2.895 -5.931 -2.531) 7.069 5.425 ( 1.319 2.647 5.873) 6.576 6.086 ( -0.645 2.690 -5.741) 6.372 6.745 ( -12.071 1.452 2.929) 12.506 8.140 ( -7.204 1.634 -2.699) 7.865 8.733 ( -5.134 1.699 -0.273) 5.415 9.484 ( -3.622 -2.577 -8.296) 9.412 9.866 ( 1.236 7.077 4.073) 8.258 10.095 ( -1.219 -6.563 6.894) 9.596 10.380 ( 7.614 1.048 -2.433) 8.062 10.699 ( 3.606 -1.025 -1.934) 4.218 13.116 ( 0.329 -0.033 0.265) 0.424 13.231 ( -0.463 0.483 0.037) 0.670 13.379 ( 0.051 -0.435 1.222) 1.299 13.591 ( 2.265 -0.554 0.232) 2.343 13.942 ( 0.148 0.017 -0.762) 0.777 14.029 ( -0.708 0.099 0.543) 0.898 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.110 3.939 2.752) 6.323 1.117 ( 21.260 17.887 0.384) 27.786 1.387 ( -4.517 -3.627 0.870) 5.858 1.571 ( 1.608 -0.197 -4.209) 4.510 1.831 ( -4.983 -0.250 3.329) 5.997 1.906 ( -0.319 0.641 2.219) 2.332 1.974 ( 1.949 2.184 -1.105) 3.129 2.029 ( 3.509 -0.108 -0.412) 3.535 2.105 ( 8.243 5.465 -2.092) 10.109 2.381 ( 0.386 -0.361 2.019) 2.087 2.560 ( 0.870 0.277 -4.021) 4.123 2.920 ( 7.799 2.129 3.175) 8.685 2.964 ( -5.399 1.636 6.565) 8.656 3.427 ( 7.962 -8.156 -7.508) 13.648 3.702 ( 14.158 -15.149 2.607) 20.898 4.530 ( 3.674 -0.234 -0.291) 3.693 4.704 ( 3.296 6.540 -0.713) 7.358 4.979 ( -1.155 -1.269 2.016) 2.647 5.166 ( 4.619 -2.980 -0.220) 5.501 5.193 ( 0.458 -2.906 -0.435) 2.974 5.377 ( -1.541 5.008 2.446) 5.782 5.998 ( -1.839 4.162 -4.796) 6.611 6.565 ( -9.296 -0.422 2.633) 9.671 8.014 ( -5.510 0.210 -2.242) 5.952 8.623 ( -6.313 0.273 0.663) 6.353 9.460 ( -2.321 -4.246 -8.651) 9.912 9.812 ( 2.622 7.076 6.063) 9.680 10.182 ( -1.173 -5.799 4.268) 7.295 10.449 ( 5.621 3.192 -2.083) 6.791 10.752 ( 1.659 -0.881 -1.161) 2.208 13.124 ( 0.581 0.118 0.282) 0.656 13.218 ( -0.363 0.459 -0.196) 0.617 13.391 ( 0.113 -0.537 0.861) 1.022 13.629 ( 1.746 0.004 0.469) 1.808 13.944 ( 0.399 0.066 -0.642) 0.759 14.020 ( -0.475 0.014 0.529) 0.711 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 1.104 4.264 0.336) 4.417 1.175 ( 22.270 22.873 -0.119) 31.924 1.318 ( -10.264 -3.163 0.133) 10.741 1.526 ( -7.139 -0.763 -1.229) 7.284 1.801 ( -1.140 -1.290 -0.178) 1.730 1.923 ( 1.602 -0.622 2.385) 2.940 1.966 ( -1.669 -0.156 -0.480) 1.744 2.068 ( 6.561 4.116 -2.836) 8.248 2.158 ( 7.344 5.511 -0.779) 9.215 2.377 ( -1.570 -0.559 -0.782) 1.841 2.570 ( 2.155 0.628 -2.746) 3.547 2.851 ( -5.364 3.290 3.970) 7.440 3.030 ( 6.975 0.835 3.247) 7.739 3.494 ( -0.007 -0.165 -1.969) 1.976 4.027 ( -0.046 -0.545 1.580) 1.672 4.546 ( 0.211 1.802 -0.295) 1.838 4.614 ( -1.939 6.126 0.583) 6.452 4.993 ( 2.136 -0.337 0.609) 2.247 5.153 ( -2.503 0.712 -1.499) 3.003 5.281 ( 1.822 1.758 1.998) 3.225 5.349 ( 3.700 -1.589 -0.833) 4.112 5.914 ( -1.415 1.573 -1.234) 2.449 6.522 ( -1.511 -5.574 0.214) 5.779 7.964 ( -2.637 -3.188 -0.954) 4.246 8.555 ( -4.918 -3.282 1.457) 6.090 9.473 ( -1.517 -5.535 -8.149) 9.967 9.788 ( 3.923 6.602 6.478) 10.046 10.237 ( -2.001 -3.752 2.425) 4.895 10.454 ( 3.634 5.251 -2.278) 6.780 10.762 ( -0.765 0.286 0.106) 0.823 13.130 ( 0.583 0.458 0.241) 0.780 13.208 ( -0.267 0.110 -0.194) 0.347 13.399 ( -0.008 -0.161 0.188) 0.247 13.647 ( 1.116 0.898 0.538) 1.531 13.947 ( 0.435 0.258 -0.249) 0.563 14.018 ( -0.101 -0.201 0.346) 0.412 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.941 4.583 -0.049) 4.679 1.105 ( 2.381 15.341 -3.587) 15.934 1.225 ( 1.939 6.297 -0.184) 6.591 1.422 ( -4.558 0.207 3.080) 5.505 1.792 ( -0.394 0.086 -2.722) 2.752 1.923 ( -2.740 -0.086 -0.248) 2.752 1.987 ( 4.188 -0.342 0.780) 4.274 2.109 ( 6.276 3.972 -1.768) 7.635 2.144 ( 1.275 5.834 -2.265) 6.387 2.351 ( -1.035 0.325 -2.653) 2.866 2.591 ( 2.273 0.829 -0.829) 2.558 2.727 ( -4.547 4.163 1.540) 6.354 3.141 ( 6.340 -0.362 1.673) 6.568 3.430 ( -6.152 6.910 3.835) 10.015 3.703 ( -15.345 16.954 0.500) 22.873 4.491 ( -4.510 2.966 0.680) 5.440 4.509 ( -2.008 4.346 0.729) 4.843 5.032 ( 0.709 2.021 -0.955) 2.345 5.111 ( 0.374 1.577 -3.420) 3.784 5.264 ( -0.814 0.756 0.938) 1.454 5.424 ( 4.144 0.944 0.353) 4.264 5.923 ( 0.169 -3.767 1.743) 4.154 6.662 ( 4.934 -9.547 -1.564) 10.859 8.015 ( 0.165 -6.822 0.414) 6.837 8.571 ( -2.622 -6.456 1.559) 7.141 9.518 ( -0.859 -6.826 -6.458) 9.436 9.792 ( 5.462 5.953 5.931) 10.022 10.223 ( -4.786 -0.594 0.457) 4.845 10.419 ( 3.446 6.151 -2.008) 7.331 10.720 ( -2.874 1.735 1.140) 3.546 13.130 ( 0.409 0.719 0.167) 0.844 13.205 ( -0.273 -0.344 -0.208) 0.486 13.396 ( -0.070 0.315 -0.352) 0.477 13.642 ( 0.541 1.935 0.445) 2.058 13.947 ( 0.232 0.371 0.113) 0.451 14.024 ( 0.196 -0.420 0.113) 0.477 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -6.921 10.882 1.014) 12.936 0.899 ( -1.302 14.345 -5.702) 15.492 1.140 ( -0.359 6.025 0.151) 6.037 1.384 ( 3.654 10.736 3.077) 11.751 1.785 ( 0.282 -0.533 -2.516) 2.587 1.882 ( -3.353 0.348 -0.322) 3.387 2.015 ( -2.973 7.331 -2.713) 8.363 2.063 ( 4.273 -0.112 0.571) 4.312 2.141 ( 3.233 2.226 -1.344) 4.148 2.324 ( -0.562 0.389 -2.648) 2.735 2.537 ( -4.218 7.021 1.674) 8.360 2.666 ( 2.272 0.441 -2.578) 3.464 2.960 ( -16.162 21.570 7.853) 28.073 3.244 ( 4.278 -1.116 -0.311) 4.432 3.475 ( -2.530 3.026 -1.979) 4.413 4.370 ( -5.072 3.174 0.905) 6.051 4.399 ( -2.966 5.421 0.596) 6.209 4.965 ( -1.496 4.367 -0.413) 4.635 5.064 ( -0.055 4.231 -2.134) 4.739 5.251 ( -1.057 -0.430 -0.346) 1.192 5.459 ( 2.813 1.896 0.434) 3.420 5.999 ( 0.102 -4.860 1.714) 5.155 6.883 ( 5.262 -9.496 -1.063) 10.909 8.147 ( 1.575 -8.994 0.796) 9.165 8.645 ( -1.043 -7.062 0.820) 7.186 9.597 ( -0.502 -8.025 -3.127) 8.627 9.834 ( 7.412 4.733 4.350) 9.811 10.110 ( -6.927 2.548 -1.616) 7.556 10.378 ( 2.393 6.434 -0.808) 6.912 10.642 ( -3.076 2.432 1.131) 4.081 13.125 ( 0.212 0.695 0.072) 0.730 13.207 ( -0.301 -0.775 -0.296) 0.883 13.388 ( 0.025 0.523 -0.401) 0.659 13.613 ( 0.010 2.946 0.246) 2.956 13.946 ( 0.065 0.204 0.190) 0.286 14.035 ( 0.240 -0.516 -0.024) 0.570 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 17.395 -0.000) 17.395 0.648 ( 0.000 18.052 -0.000) 18.052 1.064 ( 0.000 33.790 -0.000) 33.790 1.105 ( 0.000 1.152 -0.000) 1.152 1.779 ( 0.000 4.770 -0.000) 4.770 1.793 ( -0.000 -0.579 0.000) 0.579 1.951 ( -0.000 -0.978 0.000) 0.978 2.115 ( -0.000 -0.771 0.000) 0.771 2.135 ( 0.000 1.770 -0.000) 1.770 2.299 ( 0.000 2.024 -0.000) 2.024 2.392 ( 0.000 5.933 -0.000) 5.933 2.594 ( 0.000 11.044 -0.000) 11.044 2.726 ( -0.000 -2.050 0.000) 2.050 3.298 ( -0.000 -0.719 0.000) 0.719 3.404 ( 0.000 3.392 -0.000) 3.392 4.270 ( 0.000 3.214 -0.000) 3.214 4.301 ( 0.000 4.663 -0.000) 4.663 4.892 ( 0.000 3.777 -0.000) 3.777 4.999 ( 0.000 3.547 -0.000) 3.547 5.243 ( -0.000 -0.108 0.000) 0.108 5.462 ( 0.000 1.430 -0.000) 1.430 6.061 ( -0.000 -3.696 0.000) 3.696 7.046 ( -0.000 -6.928 0.000) 6.928 8.289 ( -0.000 -8.126 0.000) 8.126 8.725 ( -0.000 -5.226 0.000) 5.226 9.702 ( -0.000 -8.277 0.000) 8.277 9.894 ( 0.000 2.801 -0.000) 2.801 9.967 ( 0.000 3.158 -0.000) 3.158 10.295 ( 0.000 7.413 -0.000) 7.413 10.586 ( 0.000 1.944 -0.000) 1.944 13.119 ( 0.000 0.483 -0.000) 0.483 13.217 ( -0.000 -1.064 0.000) 1.064 13.381 ( 0.000 0.468 -0.000) 0.468 13.568 ( 0.000 3.115 -0.000) 3.115 13.945 ( 0.000 0.001 -0.000) 0.001 14.043 ( -0.000 -0.432 0.000) 0.432 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 8.709 -0.000 5.992) 10.572 1.269 ( -3.120 0.000 0.657) 3.188 1.405 ( 14.269 -0.000 1.551) 14.353 1.578 ( 0.523 -0.000 -4.356) 4.387 1.840 ( -6.301 0.000 1.380) 6.450 1.921 ( -1.676 0.000 2.166) 2.739 1.998 ( 0.973 -0.000 1.648) 1.914 2.063 ( 7.250 -0.000 -1.994) 7.519 2.205 ( 4.437 -0.000 2.538) 5.111 2.437 ( -1.788 0.000 1.893) 2.604 2.645 ( 9.966 -0.000 -12.541) 16.019 2.948 ( 26.770 -0.000 -4.472) 27.141 2.996 ( -1.964 0.000 10.033) 10.224 3.049 ( 5.661 -0.000 2.578) 6.220 3.548 ( 5.501 -0.000 1.660) 5.746 4.524 ( 5.262 -0.000 0.223) 5.266 4.840 ( 7.821 -0.000 1.249) 7.920 4.953 ( -5.656 0.000 -2.584) 6.218 5.084 ( 0.682 -0.000 -1.418) 1.573 5.133 ( 8.378 -0.000 0.780) 8.414 5.477 ( -0.074 0.000 4.887) 4.888 6.064 ( -2.188 0.000 -7.342) 7.661 6.557 ( -13.615 0.000 4.050) 14.205 8.018 ( -7.939 0.000 -2.818) 8.424 8.628 ( -8.964 0.000 0.502) 8.978 9.397 ( -1.913 0.000 -8.967) 9.169 9.984 ( 4.078 -0.000 -0.044) 4.078 10.030 ( -1.988 0.000 10.531) 10.717 10.498 ( 6.670 -0.000 -2.031) 6.972 10.734 ( 2.292 -0.000 -1.631) 2.813 13.126 ( 0.790 -0.000 0.382) 0.878 13.226 ( -0.496 0.000 -0.319) 0.589 13.381 ( 0.160 -0.000 1.292) 1.302 13.629 ( 2.472 -0.000 0.664) 2.560 13.945 ( 0.565 -0.000 -0.901) 1.064 14.020 ( -0.674 0.000 0.748) 1.007 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -7.134 -0.454 0.650) 7.178 1.238 ( 0.013 1.537 3.795) 4.094 1.521 ( -6.805 0.252 -2.023) 7.103 1.601 ( 13.592 5.070 0.951) 14.538 1.768 ( -0.873 -0.424 -0.557) 1.120 1.913 ( -0.322 -0.206 2.652) 2.680 1.985 ( -1.569 0.700 -0.715) 1.861 2.172 ( 8.832 3.489 0.297) 9.501 2.292 ( 5.545 -0.190 1.569) 5.766 2.374 ( -4.062 1.304 1.431) 4.500 2.704 ( 13.002 10.443 -11.336) 20.165 2.923 ( -4.621 1.438 8.539) 9.815 3.085 ( 5.148 3.210 3.059) 6.794 3.414 ( 7.748 -7.429 -7.897) 13.326 3.789 ( 18.628 -8.692 4.309) 21.003 4.591 ( 3.272 0.769 0.400) 3.385 4.802 ( -3.528 5.825 -1.407) 6.954 4.972 ( 3.309 -1.711 2.465) 4.467 5.133 ( 2.203 -2.124 -1.226) 3.297 5.276 ( 8.108 -1.090 0.766) 8.216 5.425 ( -3.376 5.258 2.951) 6.910 5.981 ( -3.513 1.590 -6.908) 7.911 6.387 ( -10.679 -3.164 3.990) 11.831 7.899 ( -6.502 -1.255 -2.477) 7.070 8.488 ( -9.317 -1.318 1.230) 9.490 9.362 ( -1.295 -2.135 -8.232) 8.602 9.965 ( 2.383 5.918 5.661) 8.530 10.118 ( 1.130 -4.798 3.058) 5.801 10.565 ( 4.602 2.368 -1.642) 5.430 10.756 ( 0.499 -0.441 -0.940) 1.152 13.141 ( 1.038 0.221 0.389) 1.130 13.216 ( -0.400 0.285 -0.379) 0.621 13.390 ( 0.210 -0.290 0.963) 1.028 13.664 ( 1.795 0.309 0.835) 2.004 13.954 ( 0.975 0.164 -0.738) 1.234 14.014 ( -0.444 -0.079 0.727) 0.855 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -8.256 -1.651 -0.071) 8.420 1.187 ( -1.698 3.235 1.800) 4.073 1.356 ( -11.239 0.437 -1.663) 11.370 1.705 ( 11.176 7.912 1.964) 13.833 1.801 ( 2.987 0.892 -0.881) 3.239 1.925 ( -1.290 0.145 0.067) 1.300 1.957 ( 1.214 -0.764 1.418) 2.017 2.236 ( 5.109 3.978 -1.819) 6.725 2.295 ( -1.766 2.570 1.915) 3.660 2.371 ( 3.594 0.619 -0.818) 3.738 2.709 ( 9.954 10.267 -9.045) 16.921 2.856 ( -1.335 4.307 5.667) 7.242 3.134 ( 3.212 0.290 3.417) 4.699 3.488 ( 0.797 -0.526 -3.169) 3.310 4.076 ( 3.232 5.255 3.178) 6.940 4.589 ( 0.083 3.750 0.036) 3.751 4.662 ( -2.997 5.645 -0.340) 6.400 5.039 ( 3.727 -0.547 1.184) 3.949 5.154 ( 0.935 2.170 -0.933) 2.540 5.320 ( -1.424 2.710 0.976) 3.214 5.410 ( 6.019 -1.323 0.532) 6.185 5.890 ( -3.258 0.690 -2.769) 4.331 6.373 ( -3.463 -9.985 1.059) 10.622 7.851 ( -3.702 -4.461 -1.458) 5.978 8.406 ( -6.641 -4.776 1.642) 8.343 9.364 ( -1.035 -3.964 -6.388) 7.589 9.951 ( 3.456 5.120 5.361) 8.179 10.182 ( -0.247 -2.098 0.795) 2.257 10.571 ( 3.122 4.337 -1.542) 5.562 10.751 ( -1.305 0.377 0.123) 1.364 13.151 ( 0.860 0.659 0.306) 1.126 13.205 ( -0.286 0.267 -0.265) 0.472 13.398 ( 0.103 -0.132 0.384) 0.419 13.681 ( 1.092 0.838 0.688) 1.538 13.962 ( 0.862 0.578 -0.350) 1.095 14.013 ( -0.150 -0.290 0.489) 0.588 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -7.949 0.090 -0.148) 7.951 1.137 ( 0.604 3.680 0.286) 3.740 1.181 ( -8.590 0.562 -1.267) 8.701 1.759 ( 6.816 5.550 2.014) 9.017 1.805 ( 4.321 5.462 -0.282) 6.970 1.888 ( -1.142 0.884 -0.246) 1.465 2.031 ( 3.113 -1.958 1.222) 3.875 2.164 ( -4.976 2.526 -2.421) 6.082 2.292 ( 5.341 5.474 0.900) 7.701 2.375 ( 1.101 3.490 -2.875) 4.653 2.686 ( 3.460 4.473 -3.802) 6.814 2.788 ( 3.541 10.171 0.882) 10.806 3.194 ( 1.186 -2.009 2.367) 3.323 3.474 ( 0.471 3.502 0.674) 3.598 3.740 ( -13.233 23.775 2.699) 27.343 4.500 ( -2.222 5.538 -0.073) 5.968 4.560 ( -0.882 5.557 0.250) 5.632 5.079 ( 0.823 3.063 -0.296) 3.186 5.165 ( 4.525 1.367 -3.285) 5.757 5.266 ( -2.376 2.489 2.256) 4.114 5.491 ( 2.921 0.145 0.308) 2.940 5.872 ( -0.854 -3.471 0.297) 3.587 6.540 ( 1.446 -14.354 -0.676) 14.442 7.899 ( -1.078 -7.915 -0.290) 7.993 8.426 ( -2.845 -7.878 1.183) 8.459 9.403 ( -0.577 -5.648 -3.583) 6.713 9.963 ( 4.482 4.173 4.026) 7.329 10.162 ( -3.130 1.266 -0.882) 3.489 10.546 ( 2.811 5.218 -1.215) 6.050 10.705 ( -2.398 1.819 0.792) 3.113 13.150 ( 0.421 0.994 0.171) 1.093 13.198 ( -0.206 0.077 -0.154) 0.268 13.399 ( 0.017 0.194 -0.032) 0.197 13.679 ( 0.533 1.592 0.364) 1.718 13.961 ( 0.349 0.850 -0.046) 0.920 14.019 ( 0.037 -0.507 0.187) 0.541 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 3.602 -0.000) 3.602 1.040 ( 0.000 9.684 -0.000) 9.684 1.118 ( -0.000 -0.512 0.000) 0.512 1.754 ( 0.000 11.435 -0.000) 11.435 1.785 ( 0.000 3.650 -0.000) 3.650 1.844 ( 0.000 0.358 -0.000) 0.358 2.039 ( 0.000 3.828 -0.000) 3.828 2.102 ( -0.000 -1.075 0.000) 1.075 2.265 ( 0.000 8.362 -0.000) 8.362 2.316 ( 0.000 1.371 -0.000) 1.371 2.651 ( 0.000 9.845 -0.000) 9.845 2.688 ( 0.000 2.490 -0.000) 2.490 3.144 ( 0.000 20.656 -0.000) 20.656 3.279 ( 0.000 5.369 -0.000) 5.369 3.481 ( 0.000 1.687 -0.000) 1.687 4.398 ( 0.000 5.667 -0.000) 5.667 4.466 ( 0.000 6.488 -0.000) 6.488 5.021 ( 0.000 4.890 -0.000) 4.890 5.138 ( 0.000 5.999 -0.000) 5.999 5.236 ( -0.000 -0.485 0.000) 0.485 5.504 ( 0.000 1.223 -0.000) 1.223 5.933 ( -0.000 -5.004 0.000) 5.004 6.758 ( -0.000 -13.566 0.000) 13.566 8.021 ( -0.000 -9.967 0.000) 9.967 8.525 ( -0.000 -8.545 0.000) 8.545 9.482 ( -0.000 -7.058 0.000) 7.058 9.979 ( 0.000 2.922 -0.000) 2.922 10.072 ( 0.000 3.949 -0.000) 3.949 10.492 ( 0.000 6.259 -0.000) 6.259 10.651 ( 0.000 2.436 -0.000) 2.436 13.139 ( 0.000 0.979 -0.000) 0.979 13.197 ( -0.000 -0.254 0.000) 0.254 13.395 ( 0.000 0.404 -0.000) 0.404 13.654 ( 0.000 2.574 -0.000) 2.574 13.952 ( 0.000 0.613 -0.000) 0.613 14.028 ( -0.000 -0.601 0.000) 0.601 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -8.273 0.000 1.060) 8.341 1.244 ( -3.847 0.000 1.138) 4.012 1.376 ( -9.982 0.000 -0.467) 9.993 1.784 ( 3.029 -0.000 -0.692) 3.107 1.804 ( 8.798 -0.000 0.848) 8.839 1.925 ( 1.270 -0.000 2.312) 2.638 1.957 ( -1.969 0.000 -1.281) 2.349 2.288 ( -5.062 0.000 0.080) 5.063 2.342 ( 7.633 -0.000 0.932) 7.690 2.347 ( 1.202 -0.000 3.072) 3.298 2.894 ( -3.259 0.000 6.868) 7.601 2.972 ( 11.867 -0.000 -9.945) 15.483 3.174 ( 1.899 -0.000 1.805) 2.620 3.437 ( 4.298 -0.000 -5.862) 7.268 4.095 ( 23.925 -0.000 2.667) 24.073 4.644 ( 2.144 -0.000 0.401) 2.181 4.754 ( -5.109 0.000 -1.305) 5.273 5.033 ( 3.008 -0.000 3.388) 4.531 5.186 ( 5.504 -0.000 -0.583) 5.535 5.369 ( -0.363 0.000 0.610) 0.710 5.419 ( 0.212 -0.000 3.130) 3.137 5.894 ( -4.737 0.000 -8.895) 10.078 6.209 ( -9.180 0.000 5.284) 10.592 7.786 ( -5.146 0.000 -2.180) 5.589 8.334 ( -8.522 0.000 1.264) 8.615 9.307 ( -1.039 0.000 -6.164) 6.251 10.047 ( -0.351 0.000 6.725) 6.734 10.129 ( 4.400 -0.000 -0.650) 4.447 10.639 ( 2.926 -0.000 -1.020) 3.098 10.750 ( -0.515 0.000 -0.641) 0.822 13.161 ( 1.090 -0.000 0.341) 1.142 13.211 ( -0.310 0.000 -0.358) 0.474 13.395 ( 0.249 -0.000 0.779) 0.818 13.692 ( 1.074 -0.000 0.779) 1.327 13.972 ( 1.259 -0.000 -0.548) 1.373 14.009 ( -0.296 0.000 0.652) 0.716 ======================= Grid point 29 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -5.484 -0.709 0.622) 5.564 1.150 ( -6.707 -0.121 -0.795) 6.755 1.248 ( -3.743 1.794 0.498) 4.180 1.814 ( 1.857 1.765 0.160) 2.567 1.913 ( -0.196 1.169 -1.378) 1.818 1.921 ( 4.123 -0.347 0.728) 4.201 1.975 ( 3.065 -0.924 1.765) 3.656 2.195 ( -5.977 0.185 -0.222) 5.984 2.375 ( 1.723 0.060 1.085) 2.036 2.427 ( 3.498 1.607 0.407) 3.871 2.844 ( -1.535 3.800 2.508) 4.804 3.066 ( 9.256 5.468 -6.054) 12.337 3.173 ( 0.039 2.258 2.374) 3.277 3.478 ( 0.775 -1.413 -2.388) 2.881 4.334 ( 10.039 14.202 1.739) 17.478 4.641 ( -0.466 3.629 0.028) 3.659 4.676 ( -1.549 2.056 -0.332) 2.595 5.084 ( 2.804 -1.616 1.210) 3.455 5.217 ( 0.006 3.353 -0.311) 3.367 5.310 ( -1.422 -1.400 1.722) 2.635 5.483 ( 3.569 0.148 0.719) 3.644 5.813 ( -3.640 -1.310 -4.523) 5.952 6.175 ( -3.809 -8.882 2.253) 9.923 7.741 ( -2.445 -3.033 -1.163) 4.066 8.255 ( -4.674 -3.566 0.935) 5.953 9.293 ( -0.673 -2.056 -3.315) 3.958 10.049 ( 0.873 1.731 3.576) 4.068 10.182 ( 1.673 0.279 -0.517) 1.773 10.654 ( 1.682 2.224 -0.699) 2.875 10.736 ( -1.069 0.361 -0.019) 1.129 13.173 ( 0.645 0.489 0.193) 0.831 13.205 ( -0.169 0.221 -0.185) 0.334 13.400 ( 0.128 -0.033 0.339) 0.363 13.703 ( 0.479 0.324 0.433) 0.723 13.984 ( 0.778 0.558 -0.228) 0.984 14.009 ( -0.111 -0.208 0.347) 0.419 ======================= Grid point 30 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 0.063 -0.000) 0.063 1.091 ( -0.000 -0.613 0.000) 0.613 1.199 ( 0.000 2.469 -0.000) 2.469 1.799 ( 0.000 1.842 -0.000) 1.842 1.877 ( 0.000 1.811 -0.000) 1.811 1.969 ( 0.000 1.291 -0.000) 1.291 2.043 ( -0.000 -2.200 0.000) 2.200 2.112 ( 0.000 1.681 -0.000) 1.681 2.396 ( 0.000 0.191 -0.000) 0.191 2.410 ( 0.000 4.101 -0.000) 4.101 2.766 ( 0.000 5.662 -0.000) 5.662 3.031 ( 0.000 11.869 -0.000) 11.869 3.166 ( -0.000 -2.171 0.000) 2.171 3.494 ( -0.000 -0.679 0.000) 0.679 4.040 ( 0.000 29.834 -0.000) 29.834 4.563 ( 0.000 5.575 -0.000) 5.575 4.625 ( 0.000 4.293 -0.000) 4.293 5.126 ( 0.000 1.702 -0.000) 1.702 5.211 ( -0.000 -1.234 0.000) 1.234 5.289 ( 0.000 3.541 -0.000) 3.541 5.514 ( -0.000 -0.351 0.000) 0.351 5.810 ( -0.000 -3.375 0.000) 3.375 6.331 ( -0.000 -15.262 0.000) 15.262 7.786 ( -0.000 -6.200 0.000) 6.200 8.295 ( -0.000 -6.921 0.000) 6.921 9.325 ( -0.000 -3.986 0.000) 3.986 10.045 ( 0.000 1.637 -0.000) 1.637 10.167 ( 0.000 2.603 -0.000) 2.603 10.630 ( 0.000 3.480 -0.000) 3.480 10.709 ( 0.000 1.528 -0.000) 1.528 13.168 ( 0.000 0.920 -0.000) 0.920 13.199 ( 0.000 0.276 -0.000) 0.276 13.401 ( 0.000 0.086 -0.000) 0.086 13.700 ( 0.000 0.805 -0.000) 0.805 13.978 ( 0.000 1.010 -0.000) 1.010 14.013 ( -0.000 -0.420 0.000) 0.420 ======================= Grid point 38 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.000 -0.000 0.000) 0.000 1.084 ( -0.000 -0.000 0.000) 0.000 1.229 ( -0.000 -0.000 0.000) 0.000 1.850 ( -0.000 -0.000 0.000) 0.000 1.912 ( -0.000 -0.000 0.000) 0.000 1.937 ( -0.000 -0.000 0.000) 0.000 2.024 ( -0.000 -0.000 0.000) 0.000 2.130 ( -0.000 -0.000 0.000) 0.000 2.382 ( -0.000 -0.000 0.000) 0.000 2.475 ( -0.000 -0.000 0.000) 0.000 2.863 ( -0.000 -0.000 0.000) 0.000 3.133 ( -0.000 -0.000 0.000) 0.000 3.221 ( -0.000 -0.000 0.000) 0.000 3.469 ( -0.000 -0.000 0.000) 0.000 4.602 ( -0.000 -0.000 0.000) 0.000 4.665 ( -0.000 -0.000 0.000) 0.000 4.676 ( -0.000 -0.000 0.000) 0.000 5.079 ( -0.000 -0.000 0.000) 0.000 5.187 ( -0.000 -0.000 0.000) 0.000 5.311 ( -0.000 -0.000 0.000) 0.000 5.516 ( -0.000 -0.000 0.000) 0.000 5.761 ( -0.000 -0.000 0.000) 0.000 6.077 ( -0.000 -0.000 0.000) 0.000 7.697 ( -0.000 -0.000 0.000) 0.000 8.191 ( -0.000 -0.000 0.000) 0.000 9.268 ( -0.000 -0.000 0.000) 0.000 10.068 ( -0.000 -0.000 0.000) 0.000 10.205 ( -0.000 -0.000 0.000) 0.000 10.679 ( -0.000 -0.000 0.000) 0.000 10.731 ( -0.000 -0.000 0.000) 0.000 13.182 ( -0.000 -0.000 0.000) 0.000 13.204 ( -0.000 -0.000 0.000) 0.000 13.402 ( -0.000 -0.000 0.000) 0.000 13.709 ( -0.000 -0.000 0.000) 0.000 13.995 ( -0.000 -0.000 0.000) 0.000 14.007 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -0.612 0.000 19.986) 19.995 0.447 ( -8.825 0.000 22.673) 24.330 0.788 ( -7.253 0.000 38.516) 39.193 1.099 ( 1.967 -0.000 1.136) 2.271 1.703 ( 0.633 -0.000 -1.094) 1.264 1.812 ( 0.541 -0.000 0.916) 1.064 2.062 ( 2.092 -0.000 -2.093) 2.959 2.134 ( -2.767 0.000 -1.289) 3.052 2.148 ( -0.401 0.000 -2.457) 2.490 2.303 ( 4.993 -0.000 -1.664) 5.263 2.467 ( -3.045 0.000 3.007) 4.279 2.488 ( -4.884 0.000 0.055) 4.884 2.789 ( 0.523 -0.000 2.291) 2.350 3.208 ( 5.052 -0.000 -8.343) 9.754 3.690 ( -1.633 0.000 6.715) 6.911 4.222 ( -0.886 0.000 -0.975) 1.317 4.241 ( 16.962 -0.000 -0.572) 16.971 4.455 ( -0.522 0.000 0.171) 0.550 4.832 ( 0.150 -0.000 -0.255) 0.296 5.195 ( 0.757 -0.000 -2.938) 3.034 5.374 ( 3.762 -0.000 1.625) 4.098 6.014 ( -1.246 0.000 -9.580) 9.661 7.155 ( -0.427 0.000 7.686) 7.697 8.334 ( -0.372 0.000 -7.757) 7.766 8.940 ( -3.851 0.000 3.011) 4.888 9.652 ( -3.698 0.000 -8.582) 9.345 9.911 ( -1.853 0.000 1.495) 2.381 9.956 ( 5.837 -0.000 3.070) 6.595 10.184 ( -1.714 0.000 3.605) 3.992 10.547 ( -0.394 0.000 -1.061) 1.132 13.124 ( -0.170 0.000 1.212) 1.224 13.300 ( 0.651 -0.000 0.791) 1.025 13.356 ( 0.947 -0.000 -1.419) 1.706 13.503 ( 0.203 -0.000 -1.369) 1.384 13.943 ( -0.333 0.000 -0.281) 0.436 14.036 ( 0.479 -0.000 -1.321) 1.405 ======================= Grid point 68 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 3.213 -6.436 16.287) 17.804 0.749 ( 15.870 -10.231 11.044) 21.875 1.003 ( 6.588 -8.239 20.186) 22.776 1.211 ( 8.275 -2.414 1.544) 8.758 1.787 ( 7.030 -4.084 0.779) 8.167 1.837 ( 2.247 0.207 0.815) 2.399 2.032 ( -1.497 2.172 -2.265) 3.476 2.069 ( -2.452 1.577 -0.526) 2.963 2.208 ( 2.067 -5.450 -0.137) 5.830 2.290 ( -7.433 0.842 8.075) 11.008 2.352 ( 0.335 -0.697 0.874) 1.167 2.505 ( 2.594 -4.488 -0.641) 5.223 2.786 ( 1.700 3.237 0.986) 3.787 3.257 ( 1.982 -1.982 -4.269) 5.107 3.560 ( -5.204 2.325 11.623) 12.945 4.254 ( 3.106 -2.324 -1.694) 4.233 4.382 ( 10.019 6.828 -1.249) 12.189 4.796 ( 12.121 -10.261 -13.186) 20.641 4.871 ( 2.719 -2.404 -0.396) 3.651 5.206 ( -1.664 -3.682 -3.250) 5.186 5.424 ( 2.766 1.451 1.572) 3.497 5.957 ( -0.350 1.539 -11.770) 11.875 7.124 ( -5.643 1.775 7.875) 9.850 8.244 ( -3.627 3.876 -8.344) 9.889 8.852 ( -2.898 4.083 5.111) 7.155 9.566 ( -6.162 -2.571 -8.067) 10.472 9.876 ( 0.147 4.575 2.380) 5.159 10.086 ( 7.821 -1.692 1.205) 8.092 10.225 ( -0.382 -5.079 3.710) 6.302 10.562 ( 1.961 -0.929 -1.595) 2.693 13.125 ( -0.217 -0.105 1.221) 1.244 13.275 ( -1.077 1.731 1.497) 2.530 13.368 ( 0.763 -0.281 -1.180) 1.433 13.523 ( 1.127 -1.622 -1.421) 2.433 13.937 ( -0.299 -0.043 -0.478) 0.566 14.036 ( 0.145 0.224 -1.057) 1.090 ======================= Grid point 69 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 2.173 -5.987 12.966) 14.446 1.088 ( 5.790 -6.243 16.319) 18.407 1.223 ( 10.747 -0.005 0.688) 10.769 1.341 ( 7.097 -0.070 -3.464) 7.898 1.867 ( 1.538 0.680 0.895) 1.905 1.917 ( 1.584 -1.840 0.001) 2.428 1.990 ( -1.846 -0.869 -2.045) 2.889 2.008 ( -2.284 1.455 -0.079) 2.709 2.174 ( -5.385 0.089 8.763) 10.285 2.378 ( 1.279 -1.028 1.476) 2.207 2.460 ( 5.259 -5.422 -4.928) 9.019 2.696 ( 5.425 -8.535 3.967) 10.864 2.845 ( 13.647 -8.063 -4.125) 16.379 3.246 ( -4.073 1.767 3.286) 5.524 3.569 ( 1.352 -3.524 7.679) 8.556 4.356 ( 5.281 -2.950 -1.783) 6.306 4.465 ( 8.471 2.223 -1.597) 8.902 4.962 ( 3.594 -2.777 -0.175) 4.545 4.980 ( 4.442 -5.359 -6.001) 9.190 5.225 ( -2.170 -4.693 -3.587) 6.293 5.428 ( 0.977 3.516 2.408) 4.372 5.890 ( 0.233 2.492 -11.921) 12.181 6.981 ( -9.210 4.901 9.021) 13.792 8.092 ( -3.898 4.733 -8.354) 10.362 8.763 ( -1.838 5.339 3.459) 6.621 9.495 ( -5.793 -4.401 -7.594) 10.516 9.818 ( 0.876 5.737 3.990) 7.043 10.225 ( 6.495 -0.794 -0.685) 6.580 10.300 ( -1.238 -5.454 4.542) 7.204 10.623 ( 3.740 -1.861 -2.441) 4.838 13.127 ( -0.187 -0.121 1.164) 1.185 13.246 ( -0.729 1.028 1.516) 1.972 13.380 ( 0.566 -0.316 -1.172) 1.339 13.564 ( 1.490 -1.651 -1.652) 2.770 13.933 ( -0.170 -0.249 -0.436) 0.530 14.029 ( -0.059 0.431 -0.762) 0.877 ======================= Grid point 70 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -1.904 -3.220 13.162) 13.683 1.153 ( -2.511 2.544 8.661) 9.370 1.390 ( 9.853 1.300 -0.764) 9.968 1.461 ( 5.407 -3.240 -1.176) 6.412 1.870 ( 0.463 0.853 0.293) 1.014 1.929 ( -0.603 2.720 -1.016) 2.965 1.962 ( -2.692 -3.080 -1.413) 4.328 1.989 ( 0.534 -0.821 1.161) 1.519 2.121 ( -5.391 -1.136 5.393) 7.709 2.410 ( 0.219 -0.067 1.048) 1.073 2.505 ( -0.830 -2.759 -3.892) 4.843 2.806 ( 8.469 2.908 -0.199) 8.957 3.115 ( -6.261 4.255 6.552) 10.012 3.336 ( 11.402 -14.347 -3.802) 18.717 3.755 ( 9.363 -10.583 4.398) 14.799 4.471 ( 4.255 -2.662 -1.092) 5.136 4.550 ( 5.424 1.587 -1.235) 5.785 5.007 ( -0.593 -0.384 -1.845) 1.976 5.119 ( 5.117 -4.481 -1.750) 7.023 5.229 ( -2.570 -1.246 -2.373) 3.714 5.367 ( -1.939 3.287 0.504) 3.849 5.837 ( 1.101 1.410 -8.615) 8.799 6.786 ( -8.774 5.283 9.514) 13.979 7.968 ( -1.608 2.302 -7.949) 8.430 8.681 ( -0.806 4.132 3.165) 5.267 9.461 ( -4.775 -5.914 -7.844) 10.922 9.774 ( 1.852 5.646 5.303) 7.964 10.287 ( 2.910 1.390 -2.112) 3.855 10.372 ( -0.859 -4.240 5.103) 6.690 10.700 ( 3.304 -1.849 -2.495) 4.534 13.130 ( -0.098 -0.032 1.038) 1.043 13.231 ( -0.534 0.402 1.526) 1.666 13.385 ( 0.313 0.000 -1.518) 1.550 13.598 ( 1.257 -0.731 -1.800) 2.314 13.937 ( 0.012 -0.496 -0.150) 0.518 14.019 ( -0.025 0.508 -0.619) 0.801 ======================= Grid point 71 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.720 -1.641 13.550) 14.147 1.096 ( -2.028 1.858 5.913) 6.522 1.448 ( 0.176 1.042 -0.542) 1.188 1.554 ( -0.447 -3.486 -1.686) 3.898 1.833 ( -1.867 4.215 -0.353) 4.623 1.902 ( 3.363 1.268 -1.772) 4.007 1.953 ( -2.715 -1.995 0.664) 3.434 2.030 ( 1.921 -0.571 0.203) 2.015 2.068 ( -4.414 -0.699 3.997) 5.996 2.381 ( -2.092 1.218 -1.511) 2.854 2.540 ( 0.677 -3.161 -1.502) 3.564 2.875 ( 4.669 4.340 -4.326) 7.704 2.984 ( -3.013 3.364 7.933) 9.128 3.517 ( 0.713 -3.371 1.443) 3.735 4.039 ( 2.879 -1.662 0.627) 3.383 4.532 ( -0.071 -1.481 -0.412) 1.539 4.576 ( 1.258 1.083 -0.086) 1.662 4.936 ( -1.656 3.446 -4.356) 5.796 5.158 ( -3.744 0.667 -2.801) 4.723 5.232 ( 4.487 0.018 -0.294) 4.497 5.329 ( -1.052 -0.316 -0.583) 1.243 5.852 ( 2.364 -3.076 -5.215) 6.500 6.664 ( -2.852 1.635 8.603) 9.209 7.942 ( 1.730 -1.781 -6.858) 7.294 8.657 ( 0.818 0.714 3.827) 3.978 9.462 ( -3.467 -7.050 -8.372) 11.481 9.750 ( 2.702 5.388 6.019) 8.518 10.282 ( 2.495 4.268 -2.161) 5.395 10.402 ( -3.611 -2.989 3.854) 6.068 10.750 ( 1.203 -0.792 -1.590) 2.146 13.131 ( -0.066 0.197 0.927) 0.950 13.227 ( -0.415 -0.168 1.675) 1.734 13.379 ( 0.053 0.526 -2.015) 2.083 13.611 ( 0.764 0.370 -1.848) 2.034 13.945 ( 0.043 -0.477 0.239) 0.535 14.012 ( 0.239 0.402 -0.723) 0.861 ======================= Grid point 72 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -5.762 0.039 13.425) 14.610 1.062 ( -3.284 2.270 6.383) 7.529 1.377 ( -7.912 -0.348 -0.118) 7.921 1.536 ( -5.358 -2.567 -2.610) 6.489 1.742 ( -0.799 3.392 -2.042) 4.039 1.910 ( 0.124 1.107 -1.464) 1.840 1.976 ( 2.295 0.017 1.971) 3.025 2.035 ( -1.286 -0.225 1.580) 2.049 2.057 ( 0.212 -0.959 1.231) 1.575 2.314 ( -2.291 2.153 -3.231) 4.508 2.591 ( 1.513 -1.535 -0.248) 2.170 2.773 ( -6.403 2.767 -0.191) 6.978 3.011 ( 6.992 3.716 0.477) 7.932 3.539 ( -1.887 -1.005 4.189) 4.703 3.730 ( -18.506 22.359 4.628) 29.391 4.522 ( -2.476 2.202 1.421) 3.605 4.569 ( -4.327 -3.273 -0.808) 5.485 4.910 ( 2.745 0.942 -8.010) 8.519 5.062 ( -4.751 2.615 -2.691) 6.054 5.273 ( 1.725 0.331 0.851) 1.951 5.322 ( 1.783 1.810 -2.825) 3.800 5.946 ( 2.188 -5.907 -4.558) 7.775 6.721 ( 4.941 -3.472 7.280) 9.459 8.022 ( 4.298 -4.968 -5.642) 8.660 8.706 ( 1.613 -2.832 4.545) 5.593 9.501 ( -1.486 -8.067 -8.614) 11.895 9.747 ( 3.716 4.776 6.226) 8.683 10.227 ( 1.414 7.416 -2.152) 7.851 10.374 ( -5.307 -2.211 2.679) 6.343 10.745 ( -1.586 0.701 -0.623) 1.843 13.128 ( -0.055 0.378 0.962) 1.035 13.231 ( -0.437 -0.622 1.825) 1.977 13.363 ( 0.113 0.850 -2.352) 2.503 13.601 ( 0.158 1.357 -1.835) 2.287 13.951 ( -0.109 -0.252 0.476) 0.549 14.012 ( 0.595 0.164 -1.002) 1.177 ======================= Grid point 73 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -10.463 1.988 14.411) 17.920 0.900 ( -10.091 9.169 8.639) 16.141 1.232 ( -10.773 -0.406 1.711) 10.916 1.449 ( -8.095 0.415 -0.887) 8.154 1.730 ( 1.995 0.137 -1.766) 2.668 1.915 ( 1.955 -0.952 -2.019) 2.967 1.945 ( -4.455 2.237 2.604) 5.624 2.064 ( 1.827 -1.649 0.348) 2.486 2.092 ( 0.603 -2.144 3.374) 4.043 2.242 ( -0.011 3.243 -3.674) 4.900 2.555 ( -5.108 6.818 -2.288) 8.821 2.681 ( -3.432 -3.137 3.817) 6.016 3.040 ( -3.566 11.113 1.856) 11.818 3.114 ( -7.047 16.022 0.631) 17.515 3.533 ( -2.270 -0.723 6.644) 7.058 4.417 ( -4.938 4.177 1.551) 6.650 4.500 ( -9.237 -3.070 -0.783) 9.766 4.888 ( -0.152 2.561 -11.760) 12.037 4.940 ( -3.575 2.931 -1.012) 4.733 5.278 ( -0.974 1.094 -1.495) 2.093 5.310 ( 3.947 3.963 -2.396) 6.085 6.027 ( 0.319 -4.623 -5.648) 7.305 6.917 ( 8.034 -4.794 6.600) 11.449 8.162 ( 5.254 -6.016 -5.480) 9.687 8.797 ( 0.699 -4.798 5.238) 7.138 9.590 ( 1.377 -8.293 -8.333) 11.837 9.776 ( 4.727 3.128 5.920) 8.196 10.105 ( -2.097 7.909 -1.831) 8.385 10.324 ( -3.787 0.125 1.834) 4.210 10.682 ( -3.852 1.649 -0.274) 4.199 13.125 ( -0.048 0.367 1.069) 1.131 13.240 ( -0.505 -0.913 2.056) 2.306 13.349 ( 0.614 0.711 -2.304) 2.488 13.568 ( -0.454 2.055 -1.705) 2.709 13.951 ( -0.255 -0.097 0.395) 0.480 14.019 ( 0.822 -0.055 -1.281) 1.523 ======================= Grid point 74 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -13.848 1.153 19.018) 23.554 0.601 ( -12.629 9.371 13.985) 21.045 1.065 ( -12.560 6.021 13.900) 19.677 1.192 ( -14.143 8.013 4.269) 16.807 1.735 ( -0.218 1.851 -2.107) 2.813 1.826 ( -5.449 -0.717 1.758) 5.770 1.995 ( 4.514 -1.892 -1.519) 5.125 2.120 ( 0.504 -2.478 -2.509) 3.562 2.173 ( 4.289 -2.071 2.901) 5.577 2.239 ( 4.412 -1.629 3.825) 6.062 2.330 ( -3.185 8.049 3.273) 9.254 2.623 ( -8.253 3.473 1.763) 9.126 2.772 ( -0.789 0.687 2.138) 2.380 3.126 ( 8.244 3.216 -6.084) 10.739 3.542 ( -0.681 -1.405 11.740) 11.844 4.289 ( -4.372 3.065 0.353) 5.351 4.376 ( -13.451 -5.159 -3.446) 14.812 4.717 ( -5.210 11.690 -16.638) 20.991 4.867 ( -2.207 1.876 -0.857) 3.021 5.219 ( 1.586 4.900 -4.265) 6.687 5.325 ( 2.674 1.232 1.413) 3.265 6.046 ( -1.203 -2.172 -7.324) 7.733 7.094 ( 5.092 -1.553 6.360) 8.294 8.295 ( 3.800 -4.334 -6.483) 8.675 8.891 ( -0.023 -5.676 5.769) 8.093 9.692 ( 2.520 -3.004 -9.244) 10.041 9.851 ( 4.459 -1.206 4.507) 6.453 9.962 ( -3.185 3.983 -0.398) 5.115 10.254 ( -3.108 3.130 2.010) 4.848 10.593 ( -3.841 1.253 -0.757) 4.111 13.124 ( -0.089 0.188 1.160) 1.178 13.259 ( 0.390 -1.352 2.770) 3.107 13.349 ( 0.988 0.367 -1.904) 2.176 13.526 ( -0.561 1.820 -1.502) 2.426 13.948 ( -0.318 -0.032 0.069) 0.327 14.030 ( 0.774 -0.119 -1.407) 1.610 ======================= Grid point 76 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 19.047 -0.000 6.346) 20.076 0.960 ( 13.261 -0.000 16.177) 20.918 1.213 ( 15.912 -0.000 2.978) 16.188 1.324 ( 6.499 -0.000 3.117) 7.207 1.876 ( 3.502 -0.000 -1.606) 3.853 1.894 ( 6.062 -0.000 1.333) 6.207 1.999 ( -2.604 0.000 -2.147) 3.375 2.088 ( 0.372 -0.000 -1.541) 1.585 2.180 ( 8.963 -0.000 0.438) 8.973 2.192 ( -6.878 0.000 12.249) 14.048 2.357 ( 1.014 -0.000 0.884) 1.346 2.511 ( 1.043 -0.000 -2.661) 2.858 2.879 ( 6.022 -0.000 2.322) 6.454 3.252 ( 0.122 -0.000 -2.012) 2.016 3.527 ( -3.493 0.000 11.144) 11.679 4.312 ( 6.570 -0.000 -1.811) 6.815 4.570 ( 7.394 -0.000 -0.681) 7.426 4.866 ( 8.427 -0.000 -12.905) 15.413 4.918 ( 5.360 -0.000 -0.871) 5.430 5.126 ( -3.375 0.000 -1.928) 3.887 5.490 ( 2.697 -0.000 3.093) 4.104 5.926 ( 0.135 -0.000 -14.202) 14.202 7.045 ( -9.428 0.000 9.693) 13.522 8.165 ( -6.032 0.000 -8.795) 10.665 8.844 ( -3.611 0.000 4.337) 5.644 9.419 ( -6.323 0.000 -6.993) 9.428 9.930 ( 0.641 -0.000 1.045) 1.226 10.198 ( 1.648 -0.000 1.707) 2.372 10.210 ( 6.946 -0.000 3.655) 7.849 10.595 ( 3.625 -0.000 -2.030) 4.155 13.126 ( -0.068 0.000 1.304) 1.306 13.266 ( -1.552 0.000 1.249) 1.992 13.373 ( 0.574 -0.000 -1.059) 1.205 13.538 ( 2.465 -0.000 -1.184) 2.735 13.931 ( -0.214 0.000 -0.661) 0.695 14.035 ( -0.076 0.000 -0.724) 0.728 ======================= Grid point 77 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 18.657 9.721 4.712) 21.559 1.194 ( 7.331 -0.788 13.919) 15.751 1.395 ( 1.779 -0.860 -0.942) 2.189 1.405 ( 8.681 0.164 -1.966) 8.902 1.889 ( -3.177 -1.485 -4.292) 5.542 1.923 ( 2.965 3.636 0.158) 4.694 1.972 ( 0.138 -0.652 -0.155) 0.685 2.048 ( 4.208 6.559 -0.661) 7.821 2.121 ( -4.515 0.476 8.414) 9.561 2.388 ( 1.759 -0.793 0.705) 2.054 2.465 ( 1.350 -0.183 -5.193) 5.369 2.695 ( 19.213 -18.735 2.677) 26.969 2.981 ( 8.802 1.163 0.583) 8.898 3.220 ( -3.984 1.775 5.282) 6.850 3.566 ( 2.450 -3.556 8.021) 9.109 4.426 ( 7.031 -0.777 -1.101) 7.159 4.657 ( 8.833 5.066 -2.020) 10.381 4.937 ( 0.941 -3.654 -6.106) 7.178 5.019 ( 6.752 -1.302 -0.403) 6.888 5.110 ( -1.828 -4.690 -2.701) 5.713 5.508 ( 0.845 3.839 3.146) 5.034 5.877 ( 0.015 0.727 -14.205) 14.224 6.890 ( -12.076 1.954 10.807) 16.322 8.025 ( -6.163 1.344 -8.907) 10.914 8.769 ( -5.424 1.774 3.828) 6.871 9.329 ( -4.891 -2.806 -7.509) 9.391 9.920 ( 1.797 3.859 2.052) 4.725 10.235 ( -0.842 -2.977 5.633) 6.426 10.338 ( 7.507 0.371 -0.763) 7.554 10.656 ( 3.842 -1.003 -2.393) 4.636 13.131 ( 0.186 0.059 1.270) 1.285 13.245 ( -1.062 0.429 1.228) 1.679 13.380 ( 0.444 -0.232 -1.161) 1.265 13.581 ( 2.836 -0.369 -1.213) 3.107 13.928 ( 0.059 -0.144 -0.625) 0.644 14.030 ( -0.195 0.212 -0.376) 0.474 ======================= Grid point 78 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 10.446 12.195 3.060) 16.346 1.263 ( 7.293 9.043 7.401) 13.775 1.407 ( -4.410 -2.895 2.248) 5.734 1.502 ( 3.492 -0.348 -1.830) 3.958 1.829 ( -5.549 -2.677 -1.726) 6.398 1.924 ( 3.385 2.467 0.338) 4.203 1.988 ( 1.264 1.121 1.392) 2.189 2.036 ( 1.128 3.256 -2.347) 4.169 2.109 ( 4.593 2.742 4.386) 6.917 2.399 ( -1.901 0.471 -0.569) 2.039 2.463 ( 1.302 -2.034 -4.835) 5.405 3.008 ( 8.917 4.016 3.636) 10.433 3.111 ( -5.633 4.763 9.139) 11.745 3.300 ( 10.724 -13.492 -5.258) 18.019 3.778 ( 10.897 -10.058 5.465) 15.804 4.525 ( 4.596 0.153 -0.259) 4.606 4.680 ( 4.014 5.577 -1.913) 7.132 4.977 ( 0.235 -2.169 -2.229) 3.119 5.131 ( 1.111 -3.156 -2.508) 4.182 5.182 ( 5.606 -3.445 -1.092) 6.670 5.408 ( -3.162 7.532 0.395) 8.178 5.834 ( 0.276 0.170 -9.960) 9.966 6.709 ( -10.737 1.445 10.952) 15.405 7.907 ( -4.106 -0.659 -8.606) 9.558 8.672 ( -5.823 0.288 4.403) 7.306 9.294 ( -3.236 -4.569 -8.343) 10.048 9.903 ( 3.055 5.143 3.426) 6.894 10.279 ( -1.222 -3.181 4.550) 5.684 10.414 ( 4.780 2.589 -0.882) 5.507 10.718 ( 2.568 -1.300 -2.177) 3.609 13.138 ( 0.410 0.248 1.112) 1.211 13.230 ( -0.725 0.308 1.387) 1.595 13.384 ( 0.279 -0.082 -1.537) 1.564 13.620 ( 2.318 0.251 -1.382) 2.710 13.934 ( 0.446 -0.288 -0.356) 0.639 14.022 ( -0.143 0.292 -0.232) 0.399 ======================= Grid point 79 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 2.406 7.211 1.065) 7.676 1.266 ( 10.417 15.929 5.095) 19.703 1.340 ( -7.632 -1.407 3.028) 8.330 1.496 ( -2.537 0.210 -0.272) 2.560 1.795 ( -2.803 -1.289 -0.364) 3.107 1.948 ( 0.413 0.919 0.023) 1.008 1.988 ( -1.793 -0.201 1.269) 2.205 2.008 ( 5.764 3.349 -1.721) 6.885 2.157 ( 5.889 5.340 0.456) 7.963 2.345 ( -2.792 0.404 -2.523) 3.785 2.514 ( 1.912 -2.636 -2.439) 4.068 2.945 ( -4.908 7.511 4.517) 10.045 3.108 ( 7.074 3.130 4.744) 9.075 3.477 ( 0.590 -4.098 0.299) 4.151 4.062 ( 3.048 -1.398 2.080) 3.946 4.540 ( -0.103 2.876 -0.302) 2.893 4.624 ( -1.045 4.382 0.365) 4.520 4.962 ( 1.012 3.032 -4.020) 5.136 5.117 ( -2.189 1.570 -1.928) 3.313 5.303 ( 0.348 1.946 0.300) 2.000 5.318 ( 5.186 -2.051 -2.328) 6.043 5.825 ( 0.644 -2.004 -6.517) 6.848 6.625 ( -4.285 -3.068 9.428) 10.801 7.878 ( -0.965 -4.679 -7.665) 9.032 8.622 ( -4.646 -3.104 5.385) 7.760 9.303 ( -1.377 -5.836 -9.058) 10.862 9.896 ( 3.967 5.500 4.409) 8.088 10.305 ( -2.760 -2.595 4.125) 5.601 10.410 ( 3.003 5.477 -1.982) 6.553 10.749 ( 0.301 -0.409 -1.355) 1.447 13.142 ( 0.419 0.545 0.960) 1.181 13.222 ( -0.570 -0.009 1.662) 1.757 13.380 ( 0.156 0.349 -2.010) 2.046 13.637 ( 1.541 1.098 -1.627) 2.496 13.945 ( 0.508 -0.150 0.001) 0.530 14.017 ( 0.066 0.184 -0.381) 0.428 ======================= Grid point 80 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.985 6.196 1.150) 6.378 1.118 ( -6.342 9.045 2.672) 11.366 1.258 ( -4.093 2.558 1.355) 5.013 1.480 ( 5.690 6.254 4.742) 9.694 1.754 ( -0.862 1.651 -1.342) 2.295 1.910 ( -1.398 0.633 -1.304) 2.014 2.013 ( 1.589 -1.362 2.144) 2.996 2.059 ( 4.663 1.204 -2.515) 5.433 2.123 ( 0.811 7.196 -0.159) 7.244 2.295 ( -1.081 1.033 -3.103) 3.444 2.577 ( 1.644 -2.927 -0.518) 3.397 2.766 ( -5.146 8.058 2.125) 9.795 3.184 ( 6.696 3.278 2.286) 7.798 3.505 ( -1.528 -1.399 3.495) 4.063 3.764 ( -18.218 22.075 5.963) 29.236 4.484 ( -3.357 1.892 -1.232) 4.046 4.540 ( -2.894 4.179 2.135) 5.514 4.962 ( 4.227 2.157 -7.279) 8.689 5.045 ( -1.883 3.623 -1.481) 4.343 5.286 ( -0.385 0.833 1.031) 1.380 5.394 ( 4.421 1.329 -3.466) 5.773 5.875 ( 0.923 -5.336 -5.847) 7.969 6.725 ( 2.924 -8.222 7.489) 11.499 7.953 ( 1.416 -8.113 -6.631) 10.574 8.644 ( -3.286 -6.055 5.787) 8.998 9.362 ( 1.036 -7.212 -9.054) 11.621 9.904 ( 4.860 5.272 4.932) 8.703 10.255 ( -6.897 1.167 2.776) 7.526 10.380 ( 4.131 5.193 -1.942) 6.913 10.725 ( -2.249 1.202 -0.602) 2.620 13.141 ( 0.233 0.733 0.956) 1.227 13.221 ( -0.602 -0.346 1.891) 2.015 13.370 ( 0.358 0.635 -2.256) 2.371 13.628 ( 0.816 1.970 -1.871) 2.837 13.951 ( 0.170 0.111 0.213) 0.295 14.018 ( 0.319 -0.057 -0.720) 0.789 ======================= Grid point 81 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -9.951 6.063 2.252) 11.868 0.896 ( 1.138 15.649 5.845) 16.743 1.155 ( -4.934 1.313 0.029) 5.106 1.482 ( 6.649 13.041 7.459) 16.429 1.752 ( 2.096 -0.343 -1.276) 2.478 1.880 ( -3.328 0.180 -0.145) 3.336 2.008 ( -0.384 6.762 0.743) 6.814 2.072 ( 1.813 -1.401 -1.012) 2.504 2.103 ( 3.787 -0.089 0.683) 3.849 2.266 ( 0.676 1.194 -3.256) 3.533 2.570 ( -5.363 8.601 0.677) 10.159 2.637 ( 1.028 -2.373 0.132) 2.589 3.119 ( -16.510 22.767 7.259) 29.045 3.249 ( 3.450 4.397 0.429) 5.606 3.509 ( -1.543 -0.805 6.198) 6.438 4.369 ( -5.562 3.015 -0.995) 6.404 4.424 ( -3.613 5.602 1.864) 6.922 4.936 ( 2.176 6.149 -8.707) 10.879 4.957 ( -0.510 4.247 -0.710) 4.336 5.277 ( -0.382 0.280 1.898) 1.956 5.406 ( 2.921 2.978 -5.180) 6.651 5.939 ( -0.166 -5.118 -7.031) 8.698 6.941 ( 4.364 -9.143 6.473) 12.023 8.089 ( 2.041 -9.469 -6.616) 11.730 8.710 ( -2.524 -7.160 5.519) 9.386 9.481 ( 3.247 -8.477 -8.137) 12.191 9.932 ( 5.563 4.609 4.972) 8.770 10.097 ( -8.058 4.123 0.568) 9.070 10.365 ( 2.754 4.919 -0.431) 5.654 10.650 ( -3.466 2.373 -0.441) 4.224 13.136 ( -0.033 0.671 1.017) 1.219 13.226 ( -0.481 -0.793 2.124) 2.318 13.363 ( 0.771 0.579 -2.073) 2.287 13.597 ( 0.192 2.759 -1.929) 3.372 13.949 ( -0.159 0.167 0.142) 0.271 14.024 ( 0.448 -0.278 -1.047) 1.172 ======================= Grid point 82 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -1.840 11.522 8.026) 14.162 0.727 ( 5.130 15.815 8.677) 18.754 1.104 ( -0.224 0.723 0.282) 0.808 1.264 ( -5.700 22.375 17.021) 28.685 1.777 ( 2.043 4.395 0.190) 4.851 1.801 ( 1.346 0.761 0.875) 1.777 2.006 ( 1.372 -1.657 -0.040) 2.151 2.087 ( -1.022 -1.497 -2.474) 3.067 2.198 ( 1.659 -2.814 6.107) 6.926 2.265 ( 3.416 1.178 -2.184) 4.222 2.407 ( -1.176 5.690 0.789) 5.864 2.617 ( -3.169 8.879 2.161) 9.672 2.751 ( -3.538 0.908 2.221) 4.275 3.262 ( 3.718 3.268 -2.800) 5.687 3.529 ( -1.312 -2.196 10.367) 10.678 4.258 ( -0.252 3.235 -1.174) 3.450 4.307 ( -1.146 5.143 0.637) 5.308 4.847 ( 4.328 8.822 -9.277) 13.514 4.897 ( 0.814 4.343 -1.469) 4.657 5.268 ( 0.146 2.000 -0.158) 2.012 5.388 ( 1.837 1.701 -3.581) 4.369 5.965 ( -0.808 -3.368 -9.059) 9.698 7.104 ( -0.296 -5.728 6.124) 8.391 8.213 ( 0.067 -7.941 -7.509) 10.930 8.792 ( -2.058 -7.027 5.348) 9.067 9.618 ( 1.949 -6.210 -8.469) 10.681 9.899 ( -6.664 2.924 2.186) 7.599 10.003 ( 5.836 3.068 2.719) 7.132 10.310 ( -0.030 6.353 1.401) 6.505 10.575 ( -0.986 1.949 -1.071) 2.433 13.129 ( -0.222 0.395 1.101) 1.190 13.246 ( -0.014 -1.767 2.312) 2.910 13.364 ( 0.904 0.426 -1.621) 1.905 13.552 ( 0.115 2.815 -1.729) 3.305 13.944 ( -0.291 0.088 -0.156) 0.341 14.031 ( 0.363 -0.341 -1.186) 1.287 ======================= Grid point 85 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -1.936 0.000 2.719) 3.338 1.313 ( 3.253 -0.000 8.185) 8.807 1.429 ( 11.907 -0.000 0.839) 11.936 1.499 ( 4.030 -0.000 -2.679) 4.839 1.789 ( -5.699 0.000 -4.018) 6.973 1.945 ( -0.460 0.000 0.078) 0.467 2.030 ( 1.653 -0.000 0.521) 1.733 2.111 ( 2.853 -0.000 5.324) 6.041 2.240 ( 7.789 -0.000 -0.240) 7.793 2.432 ( 3.245 -0.000 -7.425) 8.104 2.450 ( 0.336 -0.000 -0.789) 0.858 2.886 ( 23.070 -0.000 -1.497) 23.119 3.116 ( 5.685 -0.000 4.176) 7.054 3.192 ( -4.424 0.000 8.382) 9.478 3.636 ( 7.854 -0.000 7.973) 11.191 4.527 ( 6.097 -0.000 -0.056) 6.097 4.845 ( 9.233 -0.000 -0.888) 9.275 4.868 ( -2.797 0.000 -5.939) 6.565 5.049 ( 0.542 -0.000 -1.961) 2.035 5.136 ( 8.513 -0.000 -0.471) 8.526 5.557 ( -0.627 0.000 3.690) 3.743 5.822 ( -1.368 0.000 -15.640) 15.700 6.733 ( -13.642 0.000 12.347) 18.400 7.900 ( -6.697 0.000 -9.213) 11.390 8.675 ( -8.851 0.000 4.430) 9.898 9.226 ( -2.662 0.000 -8.442) 8.852 9.993 ( 3.443 -0.000 0.677) 3.509 10.217 ( -1.543 0.000 8.341) 8.483 10.454 ( 6.905 -0.000 -2.169) 7.237 10.695 ( 2.819 -0.000 -2.201) 3.577 13.141 ( 0.570 -0.000 1.191) 1.320 13.236 ( -0.879 0.000 1.231) 1.513 13.381 ( 0.434 -0.000 -1.275) 1.347 13.624 ( 2.963 -0.000 -1.201) 3.197 13.930 ( 0.586 -0.000 -0.622) 0.855 14.027 ( -0.298 0.000 -0.034) 0.300 ======================= Grid point 86 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -7.421 1.730 1.498) 7.765 1.317 ( -4.131 0.545 2.806) 5.024 1.492 ( -4.622 1.704 0.202) 4.930 1.616 ( 12.969 3.247 0.310) 13.373 1.734 ( -0.263 -1.683 -1.936) 2.578 1.951 ( 0.175 -0.762 1.051) 1.310 2.003 ( -2.404 1.350 2.372) 3.637 2.194 ( 7.844 5.084 1.097) 9.411 2.303 ( 4.391 1.637 -1.520) 4.927 2.384 ( -1.045 3.087 0.446) 3.290 2.504 ( 10.079 6.068 -7.971) 14.210 3.106 ( -5.222 2.505 9.587) 11.201 3.175 ( 4.302 1.410 5.964) 7.488 3.281 ( 9.507 -8.725 -5.795) 14.145 3.889 ( 15.737 -5.421 6.122) 17.735 4.600 ( 3.454 0.944 0.457) 3.610 4.761 ( -2.794 4.197 -2.798) 5.767 4.987 ( 5.488 -1.060 -1.056) 5.688 5.100 ( 3.168 -2.450 -2.055) 4.501 5.272 ( 7.816 -0.644 -1.101) 7.920 5.466 ( -4.078 7.983 0.788) 8.998 5.773 ( -1.770 -2.934 -11.693) 12.185 6.567 ( -11.899 -0.978 12.673) 17.411 7.786 ( -4.946 -1.724 -9.058) 10.464 8.550 ( -9.347 -1.611 5.240) 10.836 9.189 ( -0.772 -2.150 -9.191) 9.471 10.031 ( 4.226 3.541 1.773) 5.792 10.232 ( -2.018 -2.247 7.431) 8.021 10.525 ( 4.876 2.437 -2.418) 5.964 10.728 ( 1.277 -0.800 -1.866) 2.398 13.154 ( 0.763 0.252 0.962) 1.253 13.227 ( -0.639 0.180 1.460) 1.604 13.384 ( 0.362 0.000 -1.590) 1.631 13.658 ( 2.094 0.395 -1.481) 2.595 13.942 ( 1.130 -0.025 -0.417) 1.205 14.021 ( -0.302 0.081 0.054) 0.317 ======================= Grid point 87 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -7.096 0.537 -0.042) 7.117 1.226 ( -5.915 0.640 0.687) 5.989 1.341 ( -8.505 3.286 1.651) 9.266 1.747 ( 8.135 3.525 1.292) 8.960 1.773 ( 4.776 1.036 -1.551) 5.127 1.941 ( -2.745 1.252 1.820) 3.523 1.982 ( 1.463 -0.247 0.856) 1.713 2.192 ( 2.078 5.581 -3.241) 6.780 2.320 ( 1.709 2.583 0.422) 3.126 2.359 ( 5.841 6.542 0.484) 8.784 2.548 ( 7.995 4.687 -6.320) 11.217 2.986 ( -4.516 6.410 6.845) 10.409 3.230 ( 2.340 0.231 5.784) 6.244 3.438 ( 2.285 -3.674 -1.657) 4.633 4.144 ( 5.008 4.002 3.683) 7.393 4.592 ( -0.367 4.494 0.185) 4.513 4.654 ( -2.333 4.016 -0.348) 4.658 5.025 ( 2.618 2.763 -3.066) 4.888 5.132 ( 1.011 2.758 -1.002) 3.104 5.318 ( 0.345 1.655 -1.085) 2.009 5.403 ( 5.579 0.287 -1.309) 5.738 5.761 ( -1.470 -3.511 -8.426) 9.246 6.506 ( -6.004 -6.482 11.083) 14.174 7.755 ( -1.827 -5.430 -8.251) 10.045 8.479 ( -7.440 -5.054 5.893) 10.753 9.205 ( 1.095 -3.915 -9.342) 10.188 10.046 ( 4.198 4.631 3.742) 7.285 10.240 ( -3.454 -1.405 5.131) 6.343 10.530 ( 3.575 4.576 -2.640) 6.378 10.739 ( -0.534 -0.263 -1.261) 1.394 13.162 ( 0.579 0.634 0.755) 1.143 13.220 ( -0.498 0.173 1.791) 1.867 13.382 ( 0.300 0.230 -1.987) 2.023 13.669 ( 1.220 0.921 -1.895) 2.434 13.958 ( 1.008 0.320 -0.140) 1.067 14.016 ( -0.189 -0.026 -0.161) 0.250 ======================= Grid point 88 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -6.815 0.742 -0.029) 6.856 1.138 ( -6.140 -1.399 -2.236) 6.682 1.195 ( -1.719 5.996 4.821) 7.884 1.763 ( 0.615 0.938 -1.094) 1.566 1.842 ( 8.519 7.510 1.518) 11.458 1.889 ( -1.699 1.265 0.469) 2.169 2.026 ( 2.543 -1.223 -0.523) 2.870 2.110 ( -2.959 2.359 -3.000) 4.829 2.323 ( 7.158 7.633 2.164) 10.685 2.332 ( 2.653 7.135 -1.412) 7.742 2.589 ( 4.724 1.391 -4.075) 6.392 2.834 ( -2.476 9.588 2.392) 10.188 3.274 ( 0.383 -0.858 4.892) 4.981 3.490 ( 1.021 -0.917 1.137) 1.782 3.843 ( -14.286 24.706 7.563) 29.524 4.497 ( -1.771 5.592 -0.291) 5.873 4.572 ( -1.425 4.721 1.019) 5.036 5.049 ( 4.698 2.025 -5.111) 7.231 5.096 ( 1.588 4.564 -1.211) 4.982 5.298 ( -0.909 1.647 1.023) 2.141 5.460 ( 3.060 0.920 -3.380) 4.651 5.788 ( 0.122 -5.302 -7.704) 9.353 6.628 ( -0.164 -12.237 8.744) 15.040 7.823 ( 0.568 -8.641 -7.290) 11.320 8.493 ( -4.748 -7.844 5.616) 10.752 9.279 ( 3.247 -5.772 -8.477) 10.757 10.062 ( 3.974 4.299 5.026) 7.716 10.176 ( -6.065 1.685 2.596) 6.809 10.511 ( 3.717 5.019 -2.255) 6.640 10.706 ( -2.233 1.383 -0.772) 2.737 13.159 ( 0.126 0.893 0.726) 1.158 13.217 ( -0.442 0.066 2.033) 2.082 13.377 ( 0.453 0.346 -2.150) 2.224 13.660 ( 0.587 1.574 -2.315) 2.860 13.961 ( 0.375 0.694 0.065) 0.791 14.016 ( -0.025 -0.264 -0.542) 0.604 ======================= Grid point 89 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.390 3.011 1.164) 3.252 1.092 ( 1.954 2.090 0.330) 2.880 1.109 ( -0.658 6.227 3.813) 7.331 1.743 ( -5.041 8.248 -1.748) 9.823 1.787 ( 1.089 1.975 0.201) 2.265 1.867 ( 1.676 1.488 2.446) 3.318 2.048 ( -1.531 -0.928 -3.467) 3.902 2.096 ( 4.448 1.711 3.418) 5.864 2.246 ( 0.211 6.887 -0.831) 6.940 2.340 ( 6.316 6.168 1.780) 9.006 2.628 ( 1.095 0.162 -3.170) 3.358 2.661 ( 0.384 10.504 -0.554) 10.526 3.248 ( -11.367 25.953 5.549) 28.871 3.291 ( -2.018 -1.306 3.801) 4.497 3.534 ( 2.429 2.233 5.906) 6.765 4.395 ( -0.113 6.097 -0.373) 6.110 4.475 ( -1.043 6.283 0.945) 6.439 5.023 ( 0.447 4.869 0.111) 4.891 5.056 ( 3.921 6.484 -6.562) 10.024 5.277 ( -0.801 -0.439 2.711) 2.861 5.453 ( 0.547 2.121 -4.820) 5.294 5.843 ( 0.226 -4.988 -8.296) 9.683 6.838 ( -0.370 -12.725 7.468) 14.760 7.949 ( 1.071 -9.861 -7.130) 12.215 8.571 ( -2.397 -8.660 4.472) 10.037 9.413 ( 4.843 -7.187 -6.696) 10.952 10.007 ( -8.356 3.928 2.726) 9.627 10.104 ( 4.492 3.740 2.980) 6.561 10.483 ( 1.913 5.642 -0.795) 6.011 10.640 ( -1.389 2.413 -1.115) 2.999 13.147 ( -0.308 0.849 0.807) 1.211 13.219 ( -0.240 -0.311 2.134) 2.170 13.375 ( 0.674 0.279 -1.909) 2.043 13.630 ( 0.108 2.350 -2.486) 3.423 13.953 ( -0.107 0.680 0.072) 0.692 14.019 ( 0.072 -0.478 -0.871) 0.997 ======================= Grid point 90 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 4.600 9.374 4.854) 11.515 1.014 ( 6.255 7.935 4.105) 10.906 1.180 ( 7.687 1.364 1.462) 7.943 1.382 ( -14.330 12.686 6.105) 20.088 1.824 ( 2.027 -0.693 0.857) 2.307 1.902 ( 2.639 0.334 1.614) 3.111 2.028 ( -1.816 -1.148 -2.800) 3.530 2.067 ( -0.426 6.706 -0.422) 6.733 2.206 ( -0.853 0.714 7.564) 7.645 2.359 ( 2.966 1.854 0.531) 3.538 2.508 ( 1.916 8.539 -2.057) 8.990 2.682 ( 0.700 -3.011 -1.983) 3.673 2.884 ( 7.434 22.452 1.341) 23.688 3.275 ( -3.578 -1.540 2.853) 4.828 3.561 ( 2.318 2.585 6.711) 7.556 4.344 ( 3.723 4.341 -1.615) 5.942 4.396 ( 2.470 5.285 0.302) 5.842 4.971 ( 1.837 4.616 0.277) 4.976 5.007 ( 4.126 5.994 -6.317) 9.636 5.288 ( -0.208 0.208 1.465) 1.494 5.405 ( -0.653 1.283 -3.418) 3.709 5.878 ( -0.011 -3.788 -9.758) 10.467 6.974 ( -5.042 -9.028 7.623) 12.847 8.061 ( -0.840 -8.316 -7.684) 11.354 8.676 ( -0.940 -7.883 3.562) 8.701 9.559 ( 3.330 -4.857 -6.841) 9.026 9.819 ( -8.100 2.685 2.978) 9.038 10.151 ( 5.553 2.436 2.339) 6.499 10.399 ( -1.312 6.407 1.499) 6.710 10.610 ( 2.231 2.303 -2.130) 3.849 13.133 ( -0.412 0.511 0.965) 1.167 13.232 ( -0.165 -0.962 1.975) 2.203 13.377 ( 0.710 0.253 -1.460) 1.643 13.588 ( 0.247 2.575 -2.219) 3.408 13.942 ( -0.232 0.429 -0.149) 0.510 14.025 ( 0.047 -0.540 -0.964) 1.106 ======================= Grid point 94 (43/129) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -8.836 0.000 2.924) 9.307 1.232 ( -7.287 0.000 -2.440) 7.685 1.401 ( -8.010 0.000 3.218) 8.633 1.757 ( 3.407 -0.000 -1.802) 3.855 1.794 ( 8.578 -0.000 -1.615) 8.729 1.954 ( 0.678 -0.000 0.445) 0.811 1.988 ( -1.739 0.000 4.056) 4.414 2.257 ( -4.403 0.000 -3.430) 5.581 2.359 ( 7.048 -0.000 0.615) 7.074 2.395 ( -0.006 0.000 1.478) 1.478 2.801 ( 15.224 -0.000 -7.013) 16.762 3.055 ( -6.347 0.000 9.262) 11.228 3.240 ( 0.703 -0.000 4.921) 4.971 3.336 ( 7.309 -0.000 -4.385) 8.524 4.156 ( 19.348 -0.000 3.600) 19.680 4.652 ( 1.806 -0.000 0.427) 1.855 4.722 ( -3.435 0.000 -1.956) 3.952 5.064 ( 3.600 -0.000 -0.069) 3.601 5.164 ( 6.881 -0.000 -2.088) 7.191 5.364 ( 2.554 -0.000 -0.992) 2.740 5.473 ( -3.596 0.000 2.491) 4.374 5.655 ( -2.479 0.000 -13.304) 13.533 6.411 ( -11.000 0.000 13.513) 17.424 7.676 ( -3.187 0.000 -9.025) 9.571 8.402 ( -9.191 0.000 5.679) 10.804 9.149 ( 1.189 -0.000 -9.363) 9.438 10.132 ( 4.399 -0.000 0.776) 4.467 10.201 ( -2.857 0.000 8.487) 8.955 10.604 ( 3.592 -0.000 -2.576) 4.420 10.726 ( 0.081 -0.000 -1.702) 1.704 13.171 ( 0.760 -0.000 0.669) 1.013 13.224 ( -0.468 0.000 1.683) 1.747 13.384 ( 0.324 -0.000 -1.796) 1.825 13.681 ( 1.163 -0.000 -1.845) 2.181 13.963 ( 1.493 -0.000 -0.341) 1.532 14.016 ( -0.400 0.000 0.072) 0.406 ======================= Grid point 95 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -6.160 0.190 1.907) 6.451 1.113 ( -5.804 -0.345 -2.678) 6.402 1.293 ( -4.790 1.597 4.271) 6.613 1.787 ( 1.596 0.762 -1.986) 2.659 1.895 ( 4.490 -0.531 -3.051) 5.454 1.946 ( -0.087 2.262 2.316) 3.238 2.004 ( 1.433 -1.025 2.042) 2.697 2.163 ( -4.859 0.985 -2.799) 5.694 2.408 ( 0.308 -0.960 1.826) 2.086 2.429 ( 3.202 2.149 -0.111) 3.858 2.863 ( 6.010 11.575 -1.773) 13.162 3.021 ( 1.513 1.510 2.526) 3.309 3.247 ( -1.005 0.293 5.189) 5.294 3.438 ( 3.606 -2.491 -1.582) 4.659 4.367 ( 8.416 10.505 1.622) 13.558 4.643 ( -0.636 3.687 0.182) 3.746 4.671 ( -0.580 1.854 -0.253) 1.959 5.076 ( 0.861 0.976 -2.304) 2.647 5.208 ( 1.325 4.194 -0.392) 4.416 5.325 ( -1.503 -1.424 -0.114) 2.073 5.476 ( 2.863 0.906 -1.375) 3.302 5.645 ( 0.205 -4.651 -9.918) 10.956 6.344 ( -6.965 -6.202 12.668) 15.731 7.647 ( 0.018 -3.429 -8.250) 8.934 8.320 ( -6.242 -3.657 5.710) 9.216 9.168 ( 3.039 -2.020 -8.705) 9.439 10.156 ( -0.304 2.235 5.973) 6.385 10.198 ( -0.639 -0.061 2.689) 2.764 10.623 ( 2.542 2.544 -2.471) 4.364 10.721 ( -0.614 -0.166 -1.463) 1.596 13.179 ( 0.324 0.439 0.428) 0.694 13.222 ( -0.322 0.178 1.991) 2.024 13.382 ( 0.222 0.071 -2.104) 2.116 13.685 ( 0.481 0.362 -2.293) 2.370 13.980 ( 0.996 0.462 -0.178) 1.112 14.010 ( -0.369 -0.105 -0.186) 0.427 ======================= Grid point 96 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.626 0.383 0.905) 1.166 1.073 ( 1.436 -0.423 -1.715) 2.277 1.242 ( -1.054 1.785 4.506) 4.960 1.782 ( 0.500 0.991 -1.256) 1.676 1.908 ( -0.586 2.937 -2.489) 3.894 1.930 ( 0.215 0.693 0.736) 1.033 2.014 ( -3.665 -0.535 -2.270) 4.344 2.116 ( 3.454 0.420 0.408) 3.503 2.398 ( -1.288 4.002 0.008) 4.204 2.436 ( 0.019 -1.130 2.269) 2.535 2.760 ( 0.900 8.488 -0.217) 8.538 2.999 ( 4.378 10.598 -2.126) 11.662 3.237 ( -3.375 -1.508 5.626) 6.732 3.504 ( 1.633 -0.742 0.973) 2.040 4.079 ( -5.326 27.224 4.124) 28.045 4.565 ( 0.198 5.550 0.248) 5.560 4.627 ( -0.062 4.123 0.217) 4.129 5.109 ( 1.728 0.375 -2.743) 3.263 5.193 ( 3.417 1.867 -1.146) 4.059 5.283 ( -4.446 1.276 -0.344) 4.638 5.485 ( -0.051 0.280 -2.945) 2.959 5.713 ( 3.468 -3.788 -8.105) 9.595 6.450 ( -2.396 -13.282 10.504) 17.102 7.714 ( 2.374 -6.287 -7.181) 9.835 8.343 ( -2.371 -6.736 4.811) 8.610 9.250 ( 4.939 -4.154 -7.100) 9.594 10.096 ( -6.016 2.226 4.683) 7.943 10.193 ( 1.653 2.378 2.560) 3.865 10.611 ( 1.905 3.370 -1.861) 4.295 10.696 ( -0.627 1.387 -1.359) 2.041 13.171 ( -0.284 0.795 0.414) 0.940 13.221 ( -0.229 0.289 2.185) 2.216 13.378 ( 0.263 -0.011 -2.227) 2.242 13.673 ( 0.033 0.812 -2.734) 2.852 13.979 ( 0.173 0.961 0.049) 0.977 14.007 ( -0.235 -0.336 -0.566) 0.699 ======================= Grid point 97 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 7.503 -0.297 0.133) 7.510 1.142 ( 3.750 0.138 -0.128) 3.755 1.225 ( 4.117 3.062 4.112) 6.575 1.721 ( -8.960 8.065 -1.876) 12.200 1.809 ( -0.035 0.746 -0.505) 0.901 1.919 ( 0.986 1.693 2.505) 3.180 1.978 ( -2.432 -2.403 -3.389) 4.814 2.192 ( 4.239 0.514 -0.497) 4.299 2.291 ( -3.523 4.841 1.783) 6.247 2.439 ( -1.926 0.609 3.160) 3.751 2.679 ( 1.636 4.811 -2.511) 5.668 2.816 ( -5.218 13.200 1.306) 14.254 3.212 ( -5.184 -1.920 3.765) 6.689 3.465 ( 0.670 9.838 0.208) 9.863 3.753 ( 7.373 17.294 4.281) 19.282 4.501 ( 2.109 6.106 0.058) 6.460 4.560 ( 0.506 5.707 0.212) 5.733 5.077 ( -1.091 2.217 -1.110) 2.709 5.169 ( -0.355 4.732 -2.985) 5.607 5.245 ( -0.164 -1.713 1.009) 1.995 5.450 ( -2.013 0.678 -3.725) 4.288 5.783 ( 2.979 -2.105 -7.485) 8.327 6.644 ( -2.675 -13.829 8.836) 16.627 7.834 ( 2.863 -7.191 -6.796) 10.300 8.448 ( 0.653 -7.739 3.305) 8.440 9.391 ( 6.064 -5.768 -4.881) 9.689 9.941 ( -8.241 4.682 1.943) 9.675 10.203 ( 1.639 1.147 3.159) 3.739 10.558 ( -1.233 4.715 0.101) 4.875 10.676 ( 2.207 2.168 -2.233) 3.815 13.153 ( -0.651 0.827 0.567) 1.195 13.222 ( -0.140 0.119 2.147) 2.155 13.378 ( 0.397 -0.183 -2.000) 2.047 13.647 ( -0.291 1.419 -2.890) 3.233 13.963 ( -0.263 1.017 0.194) 1.068 14.009 ( -0.091 -0.545 -0.852) 1.016 ======================= Grid point 98 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.830 6.983 3.998) 8.089 1.184 ( 10.146 -1.187 1.189) 10.284 1.310 ( -13.406 10.236 0.997) 16.897 1.363 ( 7.044 4.122 5.246) 9.702 1.833 ( 0.773 -1.645 0.652) 1.931 1.930 ( 0.051 -0.454 -0.370) 0.588 1.969 ( -0.848 -1.159 -0.246) 1.457 2.110 ( -4.605 5.955 -1.446) 7.666 2.225 ( -3.917 3.400 5.719) 7.722 2.399 ( -0.272 0.575 2.143) 2.235 2.600 ( -3.845 5.581 -0.081) 6.777 2.684 ( 5.155 0.336 -3.729) 6.371 3.154 ( -6.467 -2.372 3.562) 7.755 3.371 ( 9.746 14.121 -1.860) 17.258 3.738 ( 9.435 10.081 4.079) 14.397 4.470 ( 3.987 5.116 -1.171) 6.591 4.504 ( 2.121 3.952 0.030) 4.485 5.031 ( -0.846 1.237 -1.437) 2.076 5.119 ( 2.466 3.592 -1.940) 4.769 5.261 ( -1.574 -1.780 0.105) 2.378 5.391 ( -2.119 1.119 -2.550) 3.499 5.820 ( 1.753 -1.407 -7.692) 8.014 6.771 ( -5.977 -9.851 8.677) 14.424 7.939 ( 1.204 -5.549 -7.231) 9.194 8.582 ( 1.631 -6.896 2.534) 7.526 9.541 ( 4.201 -3.575 -5.661) 7.905 9.751 ( -7.175 3.385 3.465) 8.658 10.232 ( 1.984 -0.440 1.193) 2.356 10.459 ( -2.047 5.547 2.236) 6.322 10.683 ( 3.349 2.201 -2.574) 4.763 13.136 ( -0.541 0.490 0.807) 1.088 13.226 ( -0.215 -0.257 1.868) 1.898 13.382 ( 0.440 -0.190 -1.651) 1.719 13.613 ( 0.007 1.566 -2.506) 2.955 13.947 ( -0.228 0.745 0.095) 0.785 14.014 ( -0.009 -0.611 -0.876) 1.068 ======================= Grid point 103 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -1.356 -0.000 1.646) 2.132 1.069 ( 1.784 -0.000 -1.492) 2.326 1.261 ( -1.568 -0.000 3.569) 3.898 1.808 ( 0.861 -0.000 -2.076) 2.247 1.897 ( -1.000 -0.000 -3.690) 3.823 1.994 ( -0.626 -0.000 -3.111) 3.173 1.999 ( -0.404 -0.000 5.956) 5.969 2.116 ( 0.451 -0.000 -1.097) 1.186 2.394 ( -1.066 -0.000 1.107) 1.537 2.468 ( -0.557 -0.000 -0.555) 0.786 2.901 ( -5.383 -0.000 3.568) 6.458 3.126 ( 5.433 -0.000 -0.967) 5.518 3.257 ( -0.872 -0.000 3.641) 3.744 3.473 ( 3.174 -0.000 0.430) 3.203 4.574 ( 1.278 -0.000 -1.940) 2.324 4.672 ( -0.160 -0.000 -0.379) 0.412 4.685 ( -0.198 -0.000 1.290) 1.305 5.044 ( -3.016 -0.000 -3.754) 4.815 5.189 ( -2.483 -0.000 0.324) 2.504 5.298 ( 0.045 -0.000 -0.775) 0.776 5.497 ( -0.685 -0.000 -1.879) 2.000 5.656 ( 7.644 -0.000 -7.728) 10.869 6.235 ( -4.892 -0.000 12.913) 13.808 7.623 ( 3.063 -0.000 -7.395) 8.004 8.242 ( -2.138 -0.000 5.145) 5.571 9.191 ( 4.768 -0.000 -7.318) 8.734 10.127 ( -4.773 -0.000 5.540) 7.312 10.227 ( 0.276 -0.000 2.192) 2.210 10.661 ( 1.053 -0.000 -1.881) 2.155 10.714 ( 0.520 -0.000 -1.696) 1.774 13.184 ( -0.261 -0.000 0.192) 0.324 13.226 ( -0.155 -0.000 2.256) 2.261 13.377 ( 0.019 -0.000 -2.370) 2.370 13.683 ( -0.011 -0.000 -2.685) 2.685 13.994 ( 0.301 -0.000 -0.051) 0.305 14.002 ( -0.368 -0.000 -0.443) 0.576 ======================= Grid point 105 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 4.647 -0.536 0.783) 4.743 1.145 ( 6.738 0.174 -0.884) 6.798 1.275 ( 2.836 0.789 3.219) 4.362 1.794 ( -0.664 1.160 -1.363) 1.909 1.863 ( -3.745 -1.126 -4.507) 5.967 1.933 ( -3.850 0.447 -2.529) 4.628 1.988 ( 0.048 2.539 4.702) 5.344 2.176 ( 5.034 -1.013 -1.677) 5.402 2.375 ( -3.374 -0.468 0.969) 3.541 2.417 ( -3.523 0.904 -0.435) 3.663 2.815 ( -2.542 2.962 -0.306) 3.915 3.148 ( -0.204 5.175 -0.455) 5.199 3.196 ( -4.958 3.177 6.546) 8.805 3.528 ( 1.838 -0.761 2.638) 3.304 4.314 ( -11.123 15.596 0.190) 19.157 4.640 ( 0.038 3.065 -0.112) 3.067 4.683 ( 2.148 2.540 0.346) 3.345 5.028 ( -5.089 -4.833 -4.667) 8.429 5.218 ( 1.543 1.495 -0.397) 2.185 5.272 ( 0.497 0.264 -1.460) 1.565 5.450 ( -3.715 0.209 -2.608) 4.544 5.769 ( 8.314 0.329 -6.371) 10.479 6.294 ( -0.580 -8.611 11.574) 14.437 7.691 ( 5.269 -2.737 -6.184) 8.573 8.285 ( 2.500 -3.293 3.950) 5.718 9.274 ( 6.203 -2.252 -5.181) 8.390 10.043 ( -6.054 2.188 2.850) 7.040 10.216 ( -2.030 -0.040 2.863) 3.510 10.651 ( -0.407 1.756 -0.918) 2.023 10.720 ( 1.643 0.851 -1.691) 2.507 13.172 ( -0.822 0.413 0.215) 0.945 13.230 ( -0.079 0.295 2.408) 2.428 13.371 ( -0.046 -0.247 -2.530) 2.542 13.669 ( -0.377 0.317 -3.020) 3.060 13.989 ( -0.420 0.587 0.248) 0.763 13.997 ( -0.193 -0.229 -0.784) 0.839 ======================= Grid point 106 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 8.879 -1.945 0.156) 9.090 1.184 ( 0.284 1.882 1.695) 2.549 1.378 ( 10.122 0.814 0.474) 10.166 1.681 ( -9.958 7.394 -0.844) 12.432 1.796 ( -1.803 -0.812 -1.087) 2.257 1.887 ( -2.152 -1.569 -3.016) 4.023 1.983 ( 1.421 1.779 2.961) 3.735 2.235 ( -1.116 2.243 -3.434) 4.251 2.287 ( -1.868 0.970 2.761) 3.472 2.383 ( -3.453 -2.214 0.391) 4.121 2.756 ( 1.472 3.011 -3.233) 4.657 2.875 ( -11.984 14.612 5.687) 19.735 3.126 ( -5.514 0.667 3.119) 6.370 3.551 ( 0.845 1.668 2.846) 3.406 4.038 ( -2.331 6.209 0.016) 6.632 4.590 ( -0.407 3.239 0.070) 3.265 4.666 ( 3.038 6.439 0.018) 7.120 4.983 ( -5.394 -3.446 -4.568) 7.863 5.169 ( -1.186 1.583 0.757) 2.118 5.283 ( 1.055 2.436 -2.558) 3.686 5.383 ( -4.174 -1.522 -2.238) 4.975 5.848 ( 6.372 2.574 -5.481) 8.790 6.472 ( 0.358 -10.314 9.496) 14.024 7.809 ( 5.880 -3.459 -5.688) 8.882 8.416 ( 5.254 -4.460 2.649) 7.383 9.411 ( 6.637 -4.098 -2.561) 8.210 9.891 ( -7.174 4.994 0.435) 8.752 10.200 ( -2.301 -1.764 2.280) 3.689 10.591 ( -2.074 3.634 0.610) 4.229 10.732 ( 2.237 1.142 -1.804) 3.092 13.152 ( -0.977 0.524 0.421) 1.186 13.230 ( -0.098 0.437 2.270) 2.314 13.369 ( 0.073 -0.639 -2.350) 2.436 13.644 ( -0.668 0.670 -3.035) 3.179 13.971 ( -0.604 0.805 0.504) 1.126 13.998 ( 0.052 -0.437 -1.014) 1.105 ======================= Grid point 107 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -3.962 4.645 4.160) 7.388 1.252 ( -12.971 11.493 3.240) 17.630 1.320 ( 6.525 -0.918 0.656) 6.622 1.540 ( 7.375 2.239 1.638) 7.879 1.796 ( -1.480 -3.298 -0.619) 3.667 1.877 ( -1.105 -1.561 -2.392) 3.063 1.994 ( 1.137 0.825 2.040) 2.477 2.098 ( -5.822 4.556 -0.165) 7.394 2.204 ( -7.560 4.689 3.997) 9.753 2.381 ( -0.675 -2.009 -0.212) 2.130 2.605 ( -4.056 4.513 1.110) 6.168 2.771 ( 5.552 0.613 -5.451) 7.805 3.029 ( -7.235 -0.787 4.277) 8.441 3.540 ( 1.016 2.772 2.253) 3.714 4.010 ( 2.385 0.955 0.263) 2.582 4.552 ( -0.043 1.406 0.349) 1.450 4.601 ( 1.780 7.099 -0.863) 7.369 4.943 ( -3.686 -3.389 -4.417) 6.677 5.171 ( 2.352 0.041 0.481) 2.401 5.227 ( -2.963 0.926 -3.376) 4.586 5.351 ( -2.042 -0.874 -0.654) 2.316 5.867 ( 4.150 3.876 -4.881) 7.488 6.614 ( -1.287 -6.566 8.561) 10.866 7.913 ( 4.486 -1.593 -6.080) 7.722 8.566 ( 4.866 -3.585 2.469) 6.529 9.556 ( 4.822 -2.414 -3.819) 6.607 9.707 ( -6.256 4.086 2.408) 7.851 10.215 ( -0.540 -3.419 -0.030) 3.462 10.498 ( -3.036 4.244 2.284) 5.697 10.744 ( 1.916 1.107 -1.764) 2.830 13.134 ( -0.643 0.256 0.699) 0.984 13.229 ( -0.200 0.312 1.927) 1.963 13.375 ( 0.130 -0.740 -2.075) 2.206 13.617 ( -0.355 0.535 -2.527) 2.607 13.954 ( -0.337 0.686 0.475) 0.900 14.004 ( 0.230 -0.505 -0.988) 1.134 ======================= Grid point 113 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 7.839 -0.000 0.854) 7.886 1.225 ( 2.304 -0.000 0.068) 2.305 1.394 ( 9.885 -0.000 0.947) 9.930 1.752 ( -7.171 0.000 -4.333) 8.378 1.777 ( -2.435 0.000 -1.177) 2.704 1.881 ( -2.133 0.000 -2.114) 3.003 2.020 ( 0.079 -0.000 4.252) 4.253 2.246 ( 5.479 -0.000 -3.615) 6.564 2.315 ( -3.842 0.000 -0.010) 3.842 2.334 ( -7.029 0.000 0.182) 7.031 2.795 ( -0.939 0.000 -3.477) 3.602 3.148 ( -4.032 0.000 4.697) 6.190 3.173 ( -6.526 0.000 4.211) 7.766 3.552 ( 0.388 -0.000 5.314) 5.328 4.073 ( -27.125 0.000 1.291) 27.156 4.636 ( -2.199 0.000 -0.383) 2.232 4.771 ( 5.476 -0.000 0.368) 5.488 4.932 ( -1.869 0.000 -6.668) 6.925 5.202 ( -4.811 0.000 1.189) 4.956 5.328 ( 5.644 -0.000 -3.713) 6.756 5.360 ( -6.471 0.000 -2.786) 7.045 5.892 ( 8.345 -0.000 -6.089) 10.331 6.301 ( 4.521 -0.000 11.529) 12.383 7.758 ( 7.542 -0.000 -4.972) 9.034 8.352 ( 7.061 -0.000 3.012) 7.676 9.350 ( 6.839 -0.000 -2.562) 7.303 9.976 ( -5.488 0.000 0.041) 5.488 10.162 ( -4.900 0.000 2.753) 5.621 10.646 ( -1.806 0.000 -0.202) 1.817 10.747 ( 1.476 -0.000 -1.104) 1.843 13.160 ( -1.172 0.000 0.276) 1.204 13.240 ( -0.019 0.000 2.588) 2.588 13.358 ( -0.191 0.000 -2.835) 2.841 13.653 ( -0.766 0.000 -3.163) 3.254 13.984 ( -0.854 0.000 0.615) 1.052 13.992 ( 0.081 -0.000 -1.076) 1.079 ======================= Grid point 114 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 5.344 -0.025 0.965) 5.430 1.210 ( 0.155 -0.012 1.110) 1.121 1.529 ( 1.751 3.187 -1.899) 4.103 1.593 ( -5.436 0.685 0.256) 5.485 1.739 ( -1.759 -0.497 -2.678) 3.242 1.858 ( 0.237 0.201 -2.848) 2.865 2.026 ( 0.158 0.810 2.862) 2.978 2.187 ( -6.788 2.581 0.908) 7.319 2.264 ( -4.812 -2.148 -0.677) 5.313 2.333 ( 3.597 -0.340 -2.323) 4.295 2.785 ( 1.621 0.454 -5.332) 5.592 2.905 ( -13.452 15.157 7.939) 21.765 3.070 ( -6.083 2.562 2.253) 6.975 3.571 ( -1.158 -0.627 6.405) 6.539 3.741 ( -23.563 -14.442 1.534) 27.679 4.586 ( -3.113 0.538 -0.146) 3.163 4.814 ( 3.282 6.064 -0.236) 6.899 4.890 ( -1.203 -1.028 -6.068) 6.271 5.151 ( -1.902 -1.666 0.650) 2.610 5.241 ( -7.417 -0.482 -2.652) 7.891 5.359 ( 1.878 2.249 -3.645) 4.676 5.976 ( 6.438 2.467 -5.298) 8.695 6.462 ( 6.880 -3.390 9.609) 12.295 7.879 ( 8.356 -0.724 -4.514) 9.525 8.500 ( 8.814 -1.107 2.376) 9.195 9.468 ( 6.375 -2.090 0.798) 6.756 9.857 ( -5.121 4.497 -2.945) 7.424 10.111 ( -4.586 -3.335 1.677) 5.913 10.589 ( -3.705 1.938 0.875) 4.272 10.759 ( 0.568 0.091 -0.779) 0.968 13.141 ( -1.073 0.165 0.504) 1.197 13.243 ( -0.085 0.476 2.430) 2.478 13.351 ( -0.062 -0.672 -2.759) 2.840 13.627 ( -1.112 0.170 -2.964) 3.170 13.970 ( -0.781 0.332 0.853) 1.203 13.994 ( 0.427 -0.209 -1.264) 1.350 ======================= Grid point 115 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -6.801 4.242 4.095) 9.001 1.200 ( -15.852 10.256 4.941) 19.516 1.369 ( 4.040 -3.788 -0.834) 5.601 1.634 ( 0.185 1.368 1.688) 2.181 1.725 ( -0.776 -1.507 -4.878) 5.164 1.863 ( 2.034 -0.609 -2.188) 3.049 2.020 ( -0.704 1.534 2.959) 3.407 2.063 ( -4.252 2.693 1.333) 5.206 2.157 ( -7.698 4.543 3.708) 9.677 2.334 ( -2.229 -0.723 -2.471) 3.405 2.601 ( -3.110 2.655 0.820) 4.170 2.832 ( 3.567 0.420 -7.103) 7.959 2.938 ( -6.030 0.561 4.591) 7.600 3.564 ( -1.471 0.690 4.511) 4.795 3.697 ( -19.015 -22.055 4.144) 29.413 4.538 ( -2.893 -0.749 0.578) 3.044 4.709 ( -2.809 7.128 -0.436) 7.674 4.890 ( 1.940 -0.281 -7.329) 7.587 5.130 ( -6.495 -1.756 -2.940) 7.342 5.203 ( 2.758 -2.400 0.012) 3.656 5.328 ( -0.654 1.244 -2.245) 2.649 5.990 ( 4.017 5.032 -4.407) 7.802 6.627 ( 6.241 -0.870 7.953) 10.147 7.989 ( 7.130 1.242 -4.839) 8.706 8.645 ( 6.814 0.038 2.852) 7.386 9.600 ( 5.235 -2.255 1.299) 5.846 9.687 ( -4.780 5.978 -2.433) 8.031 10.131 ( -1.233 -6.018 -0.939) 6.214 10.488 ( -5.239 2.709 1.978) 6.221 10.758 ( -0.559 -0.213 -0.670) 0.898 13.128 ( -0.596 0.000 0.770) 0.974 13.239 ( -0.196 0.662 2.017) 2.132 13.356 ( 0.046 -0.993 -2.458) 2.651 13.602 ( -0.844 -0.277 -2.370) 2.531 13.957 ( -0.430 0.375 0.761) 0.951 14.002 ( 0.641 -0.275 -1.231) 1.414 ======================= Grid point 122 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -9.661 0.000 2.494) 9.978 1.276 ( 4.378 -0.000 1.306) 4.568 1.377 ( -14.440 0.000 -0.984) 14.473 1.647 ( 2.449 -0.000 2.434) 3.453 1.725 ( 0.998 -0.000 -7.615) 7.680 1.868 ( 1.630 -0.000 -3.204) 3.594 2.023 ( -1.352 0.000 2.134) 2.526 2.135 ( -4.043 0.000 4.341) 5.932 2.161 ( -3.370 0.000 -1.758) 3.801 2.385 ( 2.707 -0.000 -3.109) 4.123 2.815 ( 4.106 -0.000 -7.414) 8.475 2.881 ( -11.222 0.000 11.142) 15.814 3.016 ( -6.709 0.000 -0.849) 6.762 3.072 ( -35.194 0.000 6.931) 35.870 3.574 ( -1.678 0.000 4.988) 5.262 4.522 ( -4.846 0.000 0.013) 4.846 4.797 ( -5.362 0.000 -3.321) 6.307 4.953 ( 5.134 -0.000 -3.313) 6.110 5.098 ( -1.074 0.000 -0.014) 1.074 5.105 ( -7.776 0.000 -1.937) 8.013 5.373 ( -0.982 0.000 -5.010) 5.106 6.066 ( 4.487 -0.000 -5.269) 6.920 6.616 ( 10.455 -0.000 8.560) 13.512 8.006 ( 9.345 -0.000 -4.132) 10.218 8.650 ( 9.274 -0.000 2.583) 9.627 9.552 ( 4.791 -0.000 5.384) 7.207 9.829 ( -1.257 0.000 -8.689) 8.779 10.002 ( -5.220 0.000 1.919) 5.562 10.531 ( -5.779 0.000 1.429) 5.953 10.750 ( -1.406 0.000 -0.174) 1.417 13.128 ( -0.813 0.000 0.724) 1.089 13.253 ( -0.192 0.000 2.447) 2.455 13.338 ( 0.161 -0.000 -2.910) 2.914 13.597 ( -1.543 0.000 -2.608) 3.030 13.963 ( -0.643 0.000 0.956) 1.152 13.998 ( 0.814 -0.000 -1.446) 1.659 ======================= Grid point 123 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -12.269 -2.539 5.911) 13.853 1.052 ( -19.172 6.793 5.507) 21.072 1.344 ( -1.833 -1.941 -0.153) 2.674 1.613 ( -8.007 2.098 1.143) 8.356 1.703 ( 1.328 0.309 -4.391) 4.598 1.887 ( 2.489 0.091 -2.947) 3.858 2.017 ( -1.433 0.124 1.842) 2.337 2.097 ( 0.776 3.430 3.748) 5.140 2.120 ( -3.681 2.231 2.640) 5.049 2.278 ( -8.321 5.405 -1.115) 9.985 2.562 ( -6.563 -1.964 -1.290) 6.971 2.805 ( -9.034 1.316 4.730) 10.282 2.914 ( 6.064 -2.842 -5.216) 8.489 3.042 ( -17.462 -21.882 3.809) 28.253 3.557 ( -2.297 0.403 6.436) 6.845 4.453 ( -5.298 -1.811 0.631) 5.635 4.680 ( -7.288 2.162 -0.724) 7.636 4.932 ( 1.269 4.203 -9.373) 10.351 4.993 ( -6.203 -1.204 -1.596) 6.517 5.176 ( 2.585 -6.835 -2.024) 7.582 5.319 ( -2.157 1.148 -2.690) 3.634 6.081 ( 1.966 2.826 -5.066) 6.125 6.797 ( 9.923 1.552 7.313) 12.424 8.123 ( 8.266 1.965 -4.514) 9.621 8.775 ( 6.058 1.715 3.698) 7.302 9.644 ( 2.096 -1.900 8.053) 8.536 9.734 ( 1.219 7.602 -9.532) 12.253 10.011 ( -1.168 -7.443 -1.505) 7.683 10.424 ( -6.998 1.160 2.127) 7.406 10.720 ( -2.956 -0.764 -0.106) 3.055 13.122 ( -0.375 -0.088 0.943) 1.018 13.251 ( -0.317 0.587 2.146) 2.247 13.339 ( 0.416 -0.639 -2.590) 2.700 13.570 ( -1.376 -0.683 -2.058) 2.568 13.956 ( -0.406 0.125 0.737) 0.850 14.009 ( 0.976 -0.061 -1.449) 1.748 ======================= Grid point 131 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -15.961 0.000 10.883) 19.318 0.827 ( -18.601 0.000 9.138) 20.724 1.262 ( -7.252 0.000 0.112) 7.253 1.393 ( -24.112 0.000 9.142) 25.786 1.721 ( 1.504 -0.000 -2.711) 3.101 1.938 ( 4.632 -0.000 -2.963) 5.498 1.967 ( -9.267 0.000 3.414) 9.876 2.136 ( 0.081 -0.000 9.994) 9.994 2.143 ( 2.652 -0.000 -3.542) 4.425 2.187 ( -7.667 0.000 0.218) 7.670 2.316 ( -5.379 0.000 1.753) 5.658 2.735 ( -7.339 0.000 4.179) 8.446 2.762 ( -2.528 0.000 -0.053) 2.529 2.989 ( 8.416 -0.000 -7.937) 11.569 3.545 ( -2.496 0.000 8.890) 9.233 4.348 ( -5.850 0.000 0.432) 5.865 4.583 ( -6.537 0.000 -0.328) 6.546 4.854 ( -7.178 0.000 -14.528) 16.204 4.937 ( -5.753 0.000 -8.554) 10.309 5.133 ( 3.044 -0.000 -2.203) 3.757 5.297 ( -0.623 0.000 1.737) 1.845 6.096 ( -0.220 0.000 -5.923) 5.927 6.978 ( 8.227 -0.000 6.976) 10.787 8.252 ( 7.298 -0.000 -5.171) 8.944 8.882 ( 3.528 -0.000 5.158) 6.249 9.678 ( 1.683 -0.000 3.032) 3.468 9.830 ( 3.918 -0.000 -7.695) 8.635 9.923 ( 0.349 -0.000 0.061) 0.354 10.321 ( -7.493 0.000 2.778) 7.991 10.654 ( -4.283 0.000 -0.389) 4.301 13.120 ( -0.146 0.000 1.095) 1.105 13.258 ( -0.206 0.000 2.442) 2.451 13.337 ( 0.839 -0.000 -2.296) 2.444 13.534 ( -1.407 0.000 -1.704) 2.210 13.953 ( -0.346 0.000 0.433) 0.554 14.020 ( 1.028 -0.000 -1.518) 1.833 ======================= Grid point 132 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -3.096 0.000 16.945) 17.225 0.867 ( -10.124 0.000 20.004) 22.420 1.130 ( 4.617 -0.000 2.065) 5.058 1.440 ( -4.729 0.000 25.920) 26.348 1.676 ( 0.401 -0.000 -0.927) 1.010 1.835 ( 0.172 -0.000 2.055) 2.062 2.028 ( 0.031 -0.000 -1.078) 1.078 2.096 ( -0.091 0.000 -2.634) 2.636 2.101 ( 1.433 -0.000 -2.070) 2.518 2.233 ( 3.693 -0.000 -5.955) 7.007 2.511 ( -4.294 0.000 2.873) 5.166 2.536 ( -0.448 0.000 3.967) 3.992 2.823 ( -0.602 0.000 0.595) 0.846 3.024 ( 6.874 -0.000 -9.982) 12.120 3.850 ( -3.334 0.000 9.628) 10.189 4.196 ( -1.990 0.000 -1.650) 2.585 4.234 ( 8.772 -0.000 0.194) 8.774 4.448 ( -0.475 0.000 -1.279) 1.364 4.829 ( 0.099 -0.000 0.063) 0.117 5.100 ( 1.999 -0.000 -7.020) 7.299 5.421 ( 3.402 -0.000 3.123) 4.618 5.797 ( -3.581 0.000 -11.358) 11.909 7.347 ( -0.482 0.000 11.678) 11.688 8.133 ( -0.135 0.000 -12.422) 12.423 9.020 ( -2.407 0.000 5.134) 5.670 9.474 ( -1.740 0.000 -9.485) 9.643 9.946 ( 0.079 -0.000 1.848) 1.850 9.991 ( 3.147 -0.000 0.761) 3.238 10.275 ( -0.332 0.000 5.312) 5.323 10.515 ( -0.826 0.000 -2.254) 2.401 13.158 ( -0.350 0.000 2.263) 2.290 13.318 ( 1.241 -0.000 -2.409) 2.710 13.323 ( -0.731 0.000 1.583) 1.743 13.465 ( 0.727 -0.000 -2.460) 2.566 13.939 ( -0.686 0.000 -0.044) 0.688 14.003 ( 0.851 -0.000 -1.924) 2.104 ======================= Grid point 133 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -1.786 -5.144 16.807) 17.667 0.910 ( 12.221 -3.078 7.845) 14.844 1.235 ( 8.376 2.214 2.507) 9.019 1.447 ( -7.101 -3.211 18.548) 20.118 1.767 ( 5.895 -3.271 -4.056) 7.867 1.878 ( 3.215 -0.050 4.561) 5.580 1.988 ( -2.385 0.485 -1.305) 2.761 2.055 ( -1.133 1.986 -1.172) 2.570 2.170 ( 4.205 -6.434 -1.832) 7.901 2.315 ( 5.192 0.168 -4.552) 6.908 2.440 ( -4.370 2.778 5.626) 7.646 2.550 ( -1.205 -7.436 5.097) 9.096 2.783 ( 0.861 4.940 -1.428) 5.214 3.155 ( 5.409 -7.049 -5.698) 10.556 3.795 ( -3.612 2.420 12.779) 13.498 4.212 ( 2.804 -2.031 -2.637) 4.352 4.356 ( 8.160 4.024 -1.231) 9.181 4.610 ( 8.691 -10.948 -6.750) 15.523 4.867 ( 2.475 -2.447 0.058) 3.481 5.116 ( 0.067 -2.675 -6.397) 6.934 5.478 ( 3.394 1.645 3.760) 5.325 5.704 ( -2.386 0.561 -12.623) 12.858 7.321 ( -4.982 2.830 11.866) 13.177 8.038 ( -3.143 3.577 -12.457) 13.336 8.960 ( -3.126 4.296 6.172) 8.144 9.408 ( -3.680 -1.098 -8.134) 8.995 9.926 ( -0.566 2.821 2.352) 3.717 10.078 ( 4.767 -3.294 -1.292) 5.936 10.328 ( 1.405 -2.745 5.816) 6.583 10.521 ( 1.668 -0.806 -2.653) 3.236 13.159 ( -0.403 -0.024 2.210) 2.247 13.301 ( -0.991 1.045 1.219) 1.887 13.333 ( 0.839 -0.427 -2.077) 2.281 13.485 ( 1.550 -1.058 -2.454) 3.090 13.930 ( -0.521 -0.186 -0.131) 0.568 14.009 ( 0.643 0.154 -1.598) 1.730 ======================= Grid point 134 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.988 -5.867 14.338) 15.524 1.156 ( 12.248 0.592 -1.676) 12.376 1.312 ( 5.158 2.696 1.726) 6.070 1.465 ( -0.693 -2.858 13.445) 13.763 1.855 ( 2.281 -1.812 -2.578) 3.890 1.905 ( -1.193 -1.763 -0.458) 2.177 1.947 ( -1.316 1.223 -0.519) 1.870 2.010 ( -1.260 1.074 -0.661) 1.783 2.295 ( -4.029 1.368 2.103) 4.746 2.350 ( 3.448 -5.467 -2.816) 7.050 2.425 ( 1.124 -0.806 0.695) 1.547 2.735 ( 5.978 7.291 -3.434) 10.034 2.810 ( 10.086 -18.568 3.717) 21.455 3.297 ( 1.323 -4.183 1.995) 4.819 3.777 ( -0.676 -0.029 13.418) 13.435 4.309 ( 6.106 -2.745 -3.453) 7.532 4.437 ( 6.599 0.408 -0.976) 6.683 4.839 ( 6.181 -7.045 -7.672) 12.112 4.964 ( 3.929 -3.663 0.289) 5.379 5.139 ( -0.890 -4.283 -5.464) 6.999 5.466 ( -0.749 4.845 0.087) 4.903 5.664 ( 1.770 -0.755 -8.352) 8.571 7.190 ( -8.303 5.656 12.002) 15.652 7.887 ( -3.401 4.207 -12.246) 13.388 8.857 ( -2.458 6.099 6.130) 8.990 9.347 ( -4.422 -2.985 -7.589) 9.276 9.886 ( 0.331 3.376 2.992) 4.523 10.190 ( 3.584 -2.978 -2.194) 5.150 10.409 ( 1.162 -3.126 5.684) 6.590 10.570 ( 3.517 -1.425 -2.931) 4.795 13.159 ( -0.416 0.043 2.024) 2.067 13.279 ( -0.822 0.670 1.704) 2.007 13.343 ( 0.560 -0.372 -2.136) 2.239 13.520 ( 1.951 -0.928 -2.872) 3.594 13.928 ( -0.260 -0.550 -0.012) 0.608 14.009 ( 0.416 0.432 -1.197) 1.339 ======================= Grid point 135 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -2.735 -2.970 10.874) 11.599 1.222 ( 2.226 2.624 2.335) 4.158 1.393 ( 6.740 1.888 0.525) 7.019 1.552 ( 1.677 -2.103 7.722) 8.177 1.868 ( 1.051 1.485 0.278) 1.841 1.890 ( -2.381 1.102 -2.034) 3.319 1.944 ( -0.604 -3.412 -0.465) 3.496 1.993 ( 0.015 -0.674 -0.983) 1.192 2.218 ( -5.263 -0.052 3.851) 6.522 2.406 ( -2.367 0.453 -1.794) 3.004 2.440 ( -0.174 -5.544 -1.993) 5.894 2.747 ( 9.364 7.408 -5.294) 13.061 3.248 ( 7.258 -7.406 1.544) 10.484 3.314 ( 0.329 -5.415 5.734) 7.894 3.882 ( 4.930 -5.517 8.997) 11.648 4.441 ( 5.844 -3.011 -2.713) 7.111 4.528 ( 4.652 -0.298 -0.515) 4.690 4.924 ( 0.002 -0.431 -6.745) 6.759 5.088 ( 4.089 -3.870 -1.016) 5.721 5.162 ( -0.688 -2.188 -4.275) 4.851 5.364 ( -2.478 3.182 -1.136) 4.190 5.698 ( 2.659 -0.939 -4.311) 5.151 7.003 ( -8.451 6.131 12.352) 16.173 7.769 ( -0.931 1.565 -12.126) 12.262 8.773 ( -0.427 4.700 6.139) 7.743 9.307 ( -4.328 -4.604 -7.911) 10.124 9.861 ( 1.177 3.421 3.639) 5.131 10.246 ( 1.671 -0.246 -2.060) 2.664 10.475 ( -0.437 -2.388 5.355) 5.879 10.644 ( 3.870 -1.794 -3.234) 5.353 13.158 ( -0.340 0.136 1.738) 1.776 13.268 ( -0.548 0.217 1.857) 1.948 13.346 ( 0.131 -0.075 -1.884) 1.890 13.548 ( 1.795 -0.158 -3.262) 3.726 13.937 ( 0.002 -0.876 0.212) 0.902 14.003 ( 0.278 0.683 -0.958) 1.209 ======================= Grid point 136 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -4.584 -2.855 6.487) 8.441 1.227 ( 0.039 2.124 10.599) 10.810 1.424 ( 0.715 1.723 -1.519) 2.406 1.590 ( -3.728 -2.153 4.296) 6.082 1.817 ( -2.344 3.449 -0.673) 4.224 1.878 ( 2.839 1.559 -0.597) 3.293 1.961 ( -1.705 -2.261 0.029) 2.832 2.019 ( 1.407 -1.086 -1.051) 2.065 2.162 ( -4.479 -1.072 5.261) 6.992 2.336 ( -3.485 1.122 -2.922) 4.685 2.516 ( 0.607 -5.025 -0.744) 5.116 2.756 ( 7.110 7.807 -7.560) 12.986 3.174 ( -4.832 5.384 10.595) 12.829 3.534 ( 3.112 -5.640 -0.291) 6.448 4.074 ( 3.362 -2.671 3.464) 5.517 4.515 ( -0.419 -0.792 -1.681) 1.905 4.576 ( 2.192 0.756 0.366) 2.348 4.819 ( -3.076 4.930 -7.252) 9.293 5.105 ( -2.533 0.522 -2.354) 3.497 5.206 ( 3.883 -0.572 -2.150) 4.476 5.321 ( -1.363 0.131 -0.106) 1.373 5.753 ( 2.342 -3.680 -4.282) 6.113 6.874 ( -3.730 2.626 12.397) 13.210 7.757 ( 2.925 -2.919 -11.789) 12.492 8.760 ( 1.784 1.467 6.539) 6.935 9.294 ( -3.503 -6.104 -8.751) 11.230 9.849 ( 1.857 3.419 4.111) 5.660 10.245 ( 1.488 2.950 -1.647) 3.692 10.483 ( -3.599 -1.234 4.423) 5.834 10.706 ( 2.158 -1.110 -2.829) 3.727 13.156 ( -0.193 0.207 1.650) 1.675 13.266 ( -0.231 -0.110 1.621) 1.641 13.337 ( -0.374 0.286 -1.312) 1.394 13.558 ( 1.259 0.716 -3.490) 3.778 13.951 ( 0.016 -0.832 0.409) 0.927 13.994 ( 0.334 0.750 -1.024) 1.313 ======================= Grid point 137 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -5.820 -2.221 7.534) 9.776 1.221 ( -2.751 1.637 11.421) 11.861 1.370 ( -4.733 0.590 -1.092) 4.894 1.530 ( -7.058 -1.346 2.444) 7.589 1.727 ( -1.648 3.531 0.997) 4.023 1.885 ( 0.963 1.674 -1.133) 2.239 1.983 ( 0.778 -2.240 -1.753) 2.949 2.046 ( 0.696 -0.137 0.897) 1.143 2.145 ( -2.584 -2.291 6.579) 7.430 2.254 ( -3.024 2.042 -2.689) 4.532 2.580 ( 1.167 -1.018 -0.597) 1.659 2.705 ( 0.771 3.942 -6.723) 7.831 3.074 ( -0.148 6.447 5.089) 8.215 3.578 ( -2.376 1.940 0.202) 3.074 3.887 ( -13.881 14.732 10.849) 22.965 4.508 ( -3.187 -3.927 -5.013) 7.121 4.562 ( -1.559 3.246 1.711) 3.987 4.741 ( 1.097 2.407 -7.962) 8.390 5.027 ( -3.692 2.715 -0.961) 4.683 5.236 ( 2.332 2.521 -4.677) 5.803 5.298 ( -0.123 0.356 0.709) 0.803 5.836 ( 1.202 -5.373 -5.877) 8.053 6.911 ( 3.350 -2.894 11.671) 12.483 7.855 ( 5.346 -5.866 -11.131) 13.671 8.820 ( 2.628 -1.770 6.836) 7.534 9.321 ( -1.503 -7.676 -9.699) 12.460 9.851 ( 2.734 3.209 4.324) 6.039 10.198 ( 1.088 6.399 -0.929) 6.557 10.433 ( -5.717 -0.934 3.403) 6.718 10.714 ( -0.806 0.477 -2.386) 2.563 13.156 ( -0.111 0.248 1.864) 1.884 13.273 ( 0.194 -0.355 1.180) 1.247 13.321 ( -0.677 0.374 -0.584) 0.969 13.547 ( 0.595 1.450 -3.602) 3.928 13.960 ( -0.267 -0.483 0.506) 0.748 13.988 ( 0.579 0.577 -1.352) 1.580 ======================= Grid point 138 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -7.275 0.360 9.968) 12.346 1.111 ( -12.032 3.178 14.482) 19.095 1.262 ( -8.014 -0.064 0.716) 8.047 1.470 ( -1.875 0.128 2.073) 2.798 1.711 ( 1.460 -0.518 0.569) 1.650 1.882 ( 2.451 0.762 -1.412) 2.930 1.991 ( -2.740 0.053 -0.003) 2.740 2.060 ( -1.711 -2.937 2.388) 4.154 2.168 ( -0.838 3.428 -1.240) 3.740 2.205 ( 0.978 -4.253 4.214) 6.066 2.517 ( -3.212 5.732 -1.878) 6.834 2.695 ( -0.801 -3.569 -2.576) 4.474 3.015 ( 4.415 8.262 -1.716) 9.524 3.198 ( -16.525 21.925 5.450) 27.991 3.728 ( -2.585 -1.750 12.648) 13.027 4.439 ( -8.545 -1.183 -3.711) 9.391 4.453 ( -5.109 4.423 0.237) 6.762 4.677 ( -0.306 5.058 -8.429) 9.835 4.927 ( -2.989 2.915 -0.150) 4.178 5.180 ( 1.066 5.586 -6.442) 8.593 5.321 ( 1.421 -0.734 1.280) 2.049 5.885 ( -0.917 -4.081 -7.930) 8.966 7.092 ( 6.495 -4.875 10.850) 13.552 7.995 ( 5.505 -6.158 -11.199) 13.916 8.915 ( 1.368 -3.778 6.660) 7.778 9.402 ( 1.302 -8.163 -10.497) 13.361 9.876 ( 3.834 2.442 4.100) 6.122 10.092 ( -1.241 7.913 0.281) 8.015 10.367 ( -4.751 -0.329 2.690) 5.470 10.656 ( -3.361 1.771 -2.128) 4.354 13.157 ( -0.174 0.243 2.134) 2.155 13.289 ( 0.720 -0.463 0.546) 1.015 13.307 ( -0.543 -0.079 0.271) 0.612 13.517 ( 0.034 1.882 -3.488) 3.963 13.959 ( -0.585 -0.152 0.431) 0.742 13.989 ( 0.843 0.281 -1.743) 1.956 ======================= Grid point 139 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -12.498 2.488 14.090) 18.998 0.952 ( -8.020 0.093 19.325) 20.923 1.144 ( -6.509 -0.091 0.831) 6.563 1.458 ( -0.767 2.493 10.099) 10.430 1.727 ( -0.867 2.101 3.005) 3.768 1.883 ( -8.962 -0.890 4.686) 10.152 1.963 ( 5.863 -0.711 -1.921) 6.210 2.064 ( -1.313 -2.101 -1.852) 3.093 2.127 ( 1.819 2.800 -3.267) 4.671 2.273 ( -2.563 -0.175 -2.006) 3.259 2.438 ( 3.429 -0.939 5.676) 6.698 2.650 ( -6.769 6.221 1.680) 9.346 2.821 ( -2.911 1.524 2.164) 3.935 2.997 ( 7.018 7.287 -6.625) 12.093 3.789 ( -0.002 -3.684 12.732) 13.254 4.280 ( -9.660 0.444 -4.073) 10.493 4.298 ( -5.175 4.793 -0.010) 7.054 4.543 ( -1.909 7.200 -4.532) 8.719 4.858 ( -1.822 1.735 -0.045) 2.516 5.111 ( 2.263 4.021 -6.967) 8.356 5.363 ( 2.205 -0.574 2.254) 3.205 5.870 ( -2.827 -1.905 -9.726) 10.306 7.267 ( 3.995 -2.560 10.945) 11.929 8.110 ( 3.708 -4.186 -11.981) 13.222 8.997 ( -0.508 -3.768 5.596) 6.765 9.488 ( 1.290 -4.073 -10.939) 11.743 9.928 ( 4.035 0.882 2.950) 5.076 9.976 ( -1.494 4.107 1.541) 4.634 10.308 ( -3.045 1.404 3.414) 4.785 10.566 ( -3.511 1.475 -1.959) 4.283 13.157 ( -0.280 0.131 2.252) 2.273 13.306 ( 1.332 0.183 -2.393) 2.745 13.314 ( -0.363 -1.193 2.793) 3.059 13.480 ( -0.030 1.560 -3.044) 3.421 13.950 ( -0.730 0.009 0.199) 0.756 13.995 ( 0.945 0.049 -1.981) 2.195 ======================= Grid point 141 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 9.993 -0.000 10.501) 14.496 1.139 ( 15.397 -0.000 4.315) 15.990 1.387 ( 6.426 -0.000 2.911) 7.054 1.404 ( -2.640 0.000 12.484) 12.760 1.798 ( 2.048 -0.000 -5.766) 6.119 1.927 ( -2.348 0.000 -3.894) 4.547 1.950 ( 1.873 -0.000 3.928) 4.352 2.084 ( -0.113 0.000 -0.332) 0.350 2.197 ( 8.257 -0.000 1.504) 8.393 2.363 ( 1.304 -0.000 -0.472) 1.387 2.421 ( -1.049 0.000 10.472) 10.524 2.480 ( -0.651 0.000 -0.289) 0.712 2.903 ( 7.902 -0.000 -0.205) 7.905 3.164 ( 5.470 -0.000 -5.831) 7.995 3.795 ( -3.387 0.000 15.543) 15.908 4.267 ( 6.970 -0.000 -2.726) 7.484 4.545 ( 6.962 -0.000 -2.439) 7.377 4.637 ( 10.591 -0.000 -9.490) 14.221 4.909 ( 5.002 -0.000 -0.370) 5.016 5.068 ( -1.497 0.000 -4.397) 4.644 5.562 ( 3.331 -0.000 4.511) 5.608 5.631 ( -1.535 0.000 -14.393) 14.475 7.271 ( -8.724 0.000 13.092) 15.733 7.950 ( -5.645 0.000 -12.892) 14.074 8.953 ( -4.195 0.000 6.904) 8.078 9.290 ( -6.142 0.000 -6.274) 8.780 9.955 ( -0.022 0.000 1.098) 1.098 10.134 ( 6.652 -0.000 -3.676) 7.600 10.360 ( 1.986 -0.000 7.123) 7.395 10.549 ( 3.528 -0.000 -2.677) 4.429 13.161 ( -0.298 0.000 2.112) 2.133 13.294 ( -1.354 0.000 1.776) 2.233 13.334 ( 0.784 -0.000 -2.830) 2.937 13.505 ( 2.627 -0.000 -2.185) 3.417 13.921 ( -0.340 0.000 -0.227) 0.409 14.015 ( 0.536 -0.000 -1.233) 1.345 ======================= Grid point 142 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 12.137 3.683 6.921) 14.449 1.320 ( 5.241 3.187 -1.671) 6.357 1.418 ( 4.989 0.467 5.027) 7.098 1.480 ( 0.540 -2.986 6.963) 7.595 1.803 ( -1.759 -3.024 -4.555) 5.743 1.904 ( 1.191 0.002 -2.719) 2.968 1.973 ( 2.493 1.895 1.904) 3.665 2.041 ( 1.182 5.502 -0.432) 5.644 2.248 ( -3.960 -0.648 3.938) 5.622 2.362 ( 2.125 0.754 -0.939) 2.443 2.415 ( -1.514 1.525 -1.759) 2.777 2.762 ( 15.264 -17.389 3.733) 23.437 2.981 ( 10.181 8.075 -1.009) 13.033 3.275 ( 2.740 -4.065 1.207) 5.048 3.807 ( -0.339 -0.469 15.684) 15.695 4.392 ( 8.482 -0.843 -2.580) 8.906 4.596 ( 7.988 5.309 -4.186) 10.465 4.803 ( 4.446 -6.775 -7.264) 10.883 5.008 ( 5.890 -1.220 -0.551) 6.040 5.058 ( -0.335 -3.349 -2.885) 4.433 5.512 ( -1.346 5.760 -7.128) 9.263 5.653 ( 1.901 -2.909 -2.381) 4.213 7.133 ( -11.179 2.679 13.773) 17.940 7.808 ( -5.776 0.856 -13.100) 14.342 8.878 ( -5.425 2.325 7.280) 9.372 9.194 ( -5.852 -2.655 -6.380) 9.056 9.949 ( 1.386 2.090 0.830) 2.642 10.231 ( 5.724 -0.471 -3.439) 6.694 10.420 ( 1.543 -1.258 6.553) 6.849 10.607 ( 3.974 -0.704 -2.609) 4.806 13.162 ( -0.147 0.124 1.822) 1.832 13.278 ( -0.936 0.360 2.154) 2.376 13.338 ( 0.541 -0.303 -2.791) 2.859 13.544 ( 2.901 -0.100 -2.612) 3.905 13.920 ( 0.030 -0.324 -0.145) 0.357 14.017 ( 0.342 0.280 -0.840) 0.949 ======================= Grid point 143 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 1.374 7.424 2.698) 8.018 1.349 ( 7.773 5.114 4.054) 10.149 1.445 ( -2.940 -0.336 -0.297) 2.974 1.549 ( 0.418 -1.115 5.187) 5.322 1.798 ( -3.720 -3.841 -1.268) 5.495 1.935 ( 3.791 1.479 -0.776) 4.143 1.985 ( 0.938 3.781 -1.146) 4.061 2.005 ( 4.121 2.360 0.977) 4.848 2.200 ( -0.848 2.508 4.243) 5.001 2.351 ( -2.540 0.983 -2.858) 3.948 2.407 ( 1.683 -2.604 -1.738) 3.555 3.010 ( 9.324 8.959 -3.650) 13.437 3.238 ( 11.887 -14.963 -1.150) 19.144 3.298 ( -3.097 2.278 9.114) 9.892 3.928 ( 6.404 -4.415 10.248) 12.866 4.514 ( 6.110 0.142 -1.383) 6.266 4.630 ( 4.922 3.315 -2.901) 6.605 4.888 ( 0.923 -2.015 -7.130) 7.466 5.086 ( 1.146 -2.569 -1.880) 3.383 5.153 ( 6.074 -2.554 -1.681) 6.800 5.370 ( -3.002 5.677 -4.194) 7.670 5.699 ( 0.609 -1.626 -2.569) 3.101 6.956 ( -10.505 2.884 13.965) 17.711 7.693 ( -3.449 -1.519 -12.931) 13.469 8.791 ( -5.096 0.689 7.605) 9.180 9.140 ( -4.665 -4.412 -7.326) 9.742 9.949 ( 2.875 3.251 1.289) 4.527 10.297 ( 4.275 0.865 -2.214) 4.891 10.463 ( -0.576 -0.327 5.278) 5.319 10.671 ( 3.176 -1.207 -2.611) 4.286 13.164 ( 0.060 0.275 1.485) 1.512 13.269 ( -0.541 0.263 2.429) 2.503 13.339 ( 0.201 -0.112 -2.582) 2.593 13.576 ( 2.372 0.464 -3.179) 3.994 13.930 ( 0.454 -0.583 0.026) 0.739 14.013 ( 0.173 0.528 -0.650) 0.855 ======================= Grid point 144 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -1.622 3.684 1.725) 4.380 1.353 ( -4.247 1.868 1.224) 4.798 1.374 ( -1.586 4.945 3.835) 6.456 1.555 ( 1.952 3.149 4.171) 5.579 1.789 ( -2.266 -1.449 -0.021) 2.690 1.934 ( 0.843 3.510 -1.304) 3.838 1.973 ( 2.154 1.454 0.217) 2.608 2.030 ( 1.238 0.086 0.680) 1.415 2.191 ( 3.356 4.286 3.381) 6.408 2.288 ( -2.383 0.995 -2.705) 3.740 2.480 ( 2.321 -3.706 -1.242) 4.546 2.961 ( 2.298 10.982 -2.940) 11.599 3.236 ( 0.162 4.523 7.935) 9.135 3.494 ( 2.648 -6.604 0.882) 7.169 4.119 ( 4.367 -0.817 4.175) 6.097 4.532 ( -0.626 4.384 -0.776) 4.496 4.629 ( 0.756 2.200 0.285) 2.344 4.836 ( 0.142 4.774 -8.588) 9.827 5.089 ( -0.553 1.663 -0.728) 1.898 5.261 ( 4.744 -0.907 -3.394) 5.903 5.300 ( -0.114 0.095 -0.391) 0.418 5.713 ( -0.434 -2.611 -4.185) 4.952 6.852 ( -5.254 -1.126 13.332) 14.374 7.680 ( 0.131 -5.887 -12.316) 13.651 8.757 ( -3.964 -2.720 8.204) 9.509 9.128 ( -2.556 -5.752 -8.691) 10.731 9.957 ( 4.007 4.061 1.868) 6.003 10.333 ( 4.230 2.537 -1.846) 5.267 10.432 ( -4.271 1.412 4.654) 6.472 10.712 ( 1.051 -0.618 -2.363) 2.659 13.166 ( 0.190 0.391 1.419) 1.484 13.268 ( -0.297 0.033 2.642) 2.659 13.331 ( -0.083 0.285 -2.411) 2.429 13.585 ( 1.548 1.154 -3.638) 4.119 13.946 ( 0.479 -0.452 0.168) 0.680 14.005 ( 0.157 0.584 -0.768) 0.978 ======================= Grid point 145 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -4.257 0.375 0.709) 4.332 1.237 ( -5.286 7.680 9.189) 13.091 1.250 ( -8.358 -1.618 -1.223) 8.601 1.564 ( 6.651 6.589 1.120) 9.429 1.758 ( -0.336 2.916 3.073) 4.249 1.900 ( -0.373 1.068 0.590) 1.275 1.987 ( 2.038 0.704 -2.853) 3.576 2.065 ( 1.298 -1.757 0.061) 2.186 2.169 ( 0.538 5.193 5.297) 7.437 2.242 ( 0.291 2.125 -1.592) 2.671 2.565 ( 1.886 -3.605 -1.007) 4.192 2.778 ( -3.971 10.659 -1.462) 11.469 3.226 ( 5.014 6.050 2.031) 8.116 3.555 ( -2.147 -0.419 1.368) 2.580 3.929 ( -12.976 17.041 10.728) 23.956 4.443 ( -2.254 2.858 -3.205) 4.850 4.587 ( -2.573 3.499 2.801) 5.168 4.793 ( 4.040 3.269 -9.351) 10.698 5.037 ( -0.981 4.092 0.398) 4.226 5.293 ( 1.618 1.556 -3.219) 3.924 5.310 ( 2.008 0.859 -1.690) 2.762 5.745 ( -0.793 -5.189 -6.573) 8.412 6.919 ( 1.409 -6.658 11.799) 13.622 7.772 ( 2.267 -9.005 -11.513) 14.791 8.785 ( -3.458 -5.513 8.472) 10.683 9.176 ( 0.927 -7.294 -9.853) 12.294 9.974 ( 4.955 4.349 2.277) 6.975 10.304 ( -3.166 6.421 0.554) 7.181 10.367 ( 0.012 0.580 2.174) 2.250 10.699 ( -1.651 0.985 -2.077) 2.830 13.167 ( 0.077 0.454 1.671) 1.734 13.274 ( -0.401 -0.300 3.201) 3.240 13.318 ( 0.241 0.503 -2.662) 2.720 13.571 ( 0.819 1.785 -3.945) 4.407 13.955 ( 0.064 -0.073 0.258) 0.276 13.999 ( 0.311 0.407 -1.123) 1.235 ======================= Grid point 146 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -8.290 0.989 3.703) 9.133 1.076 ( -3.136 7.330 9.932) 12.736 1.149 ( -5.830 0.966 1.174) 6.025 1.591 ( 6.675 5.382 -0.276) 8.579 1.749 ( 2.699 1.922 3.773) 5.021 1.893 ( -0.934 -0.143 1.607) 1.864 2.000 ( 2.127 0.870 -3.087) 3.849 2.039 ( -2.573 4.309 1.236) 5.169 2.181 ( 2.293 -2.006 1.699) 3.488 2.227 ( 2.667 2.653 2.491) 4.512 2.552 ( -4.132 8.036 -2.075) 9.271 2.638 ( -0.308 -2.732 -1.099) 2.960 3.204 ( -0.071 11.096 0.589) 11.112 3.273 ( -9.416 17.253 3.000) 19.883 3.709 ( -2.827 -0.013 13.521) 13.813 4.333 ( -4.254 3.770 -2.754) 6.316 4.468 ( -4.427 6.055 2.802) 8.007 4.759 ( 3.484 6.649 -9.025) 11.739 4.957 ( -0.631 5.061 0.725) 5.152 5.255 ( 1.446 4.883 -6.493) 8.252 5.338 ( 1.752 -0.945 0.979) 2.218 5.773 ( -1.823 -4.706 -8.924) 10.252 7.110 ( 3.216 -8.457 10.475) 13.841 7.907 ( 2.259 -9.514 -11.551) 15.134 8.842 ( -3.557 -6.771 7.803) 10.926 9.298 ( 4.168 -8.103 -10.294) 13.748 10.006 ( 5.623 4.095 2.320) 7.332 10.129 ( -7.503 5.841 2.235) 9.767 10.370 ( 2.179 2.936 1.225) 3.856 10.627 ( -3.287 2.343 -1.845) 4.438 13.165 ( -0.232 0.427 1.985) 2.044 13.282 ( -0.837 -0.747 3.408) 3.588 13.315 ( 1.242 0.356 -2.721) 3.013 13.539 ( 0.352 2.237 -3.899) 4.509 13.952 ( -0.370 0.195 0.240) 0.482 13.998 ( 0.511 0.117 -1.514) 1.603 ======================= Grid point 147 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -0.416 3.479 8.451) 9.149 0.978 ( -3.260 8.323 15.206) 17.638 1.105 ( 2.257 -1.605 -0.223) 2.778 1.579 ( -2.200 6.052 9.990) 11.885 1.774 ( 0.777 3.782 1.301) 4.074 1.838 ( 1.370 3.707 3.469) 5.259 1.986 ( -0.280 -1.406 -0.438) 1.499 2.037 ( 1.437 -2.103 -2.455) 3.538 2.197 ( 3.112 3.897 -2.536) 5.595 2.275 ( 3.337 2.168 -2.226) 4.560 2.434 ( -2.291 -1.228 3.309) 4.207 2.651 ( -1.362 1.220 0.180) 1.837 2.826 ( -7.584 10.531 6.171) 14.370 3.196 ( 5.468 8.262 -4.048) 10.703 3.751 ( -1.742 -3.688 12.149) 12.815 4.226 ( -0.520 3.158 -2.244) 3.909 4.330 ( -1.702 6.055 1.977) 6.593 4.676 ( 4.693 9.854 -7.586) 13.292 4.892 ( 0.536 4.197 0.413) 4.251 5.180 ( 1.091 4.920 -7.421) 8.970 5.396 ( 2.663 -1.558 2.837) 4.191 5.759 ( -2.624 -2.664 -10.866) 11.492 7.271 ( -0.463 -5.917 10.535) 12.092 8.017 ( 0.393 -7.637 -12.130) 14.340 8.907 ( -3.138 -6.771 6.594) 9.959 9.426 ( 2.826 -4.558 -10.471) 11.765 9.958 ( -6.092 2.497 3.248) 7.341 10.047 ( 5.388 3.527 1.391) 6.588 10.352 ( 1.151 4.303 3.024) 5.384 10.545 ( -1.601 1.963 -2.128) 3.308 13.161 ( -0.429 0.234 2.165) 2.220 13.292 ( -0.665 -1.222 2.002) 2.438 13.326 ( 1.308 0.202 -1.819) 2.249 13.502 ( 0.484 2.119 -3.331) 3.978 13.942 ( -0.554 0.255 0.075) 0.615 14.002 ( 0.633 -0.107 -1.715) 1.832 ======================= Grid point 150 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.319 -0.000 3.753) 3.766 1.375 ( -1.450 0.000 -0.677) 1.600 1.438 ( 7.047 -0.000 0.129) 7.048 1.529 ( 4.330 -0.000 3.601) 5.631 1.720 ( -3.498 0.000 -2.889) 4.537 1.915 ( 1.810 -0.000 -3.218) 3.692 2.057 ( 4.128 -0.000 2.457) 4.804 2.166 ( 6.159 -0.000 -5.063) 7.973 2.195 ( -1.086 0.000 3.149) 3.331 2.367 ( -0.013 0.000 -2.908) 2.909 2.445 ( 1.155 -0.000 2.008) 2.316 2.887 ( 16.555 -0.000 1.386) 16.613 3.201 ( 7.488 -0.000 4.264) 8.616 3.285 ( 1.924 -0.000 1.411) 2.385 3.869 ( 3.719 -0.000 15.395) 15.838 4.515 ( 7.872 -0.000 -1.438) 8.002 4.741 ( 0.470 -0.000 -6.526) 6.543 4.785 ( 8.757 -0.000 -5.993) 10.611 5.022 ( 0.918 -0.000 -0.561) 1.076 5.118 ( 8.118 -0.000 -1.196) 8.205 5.520 ( -0.445 0.000 -13.859) 13.866 5.633 ( -1.210 0.000 4.311) 4.478 7.004 ( -12.879 0.000 15.210) 19.930 7.672 ( -6.137 0.000 -13.880) 15.176 8.801 ( -8.696 0.000 8.460) 12.133 9.073 ( -4.289 0.000 -7.367) 8.524 10.001 ( 3.342 -0.000 -0.086) 3.344 10.306 ( 4.199 -0.000 -0.658) 4.250 10.459 ( 2.111 -0.000 4.058) 4.574 10.652 ( 3.094 -0.000 -2.210) 3.802 13.168 ( 0.134 -0.000 1.429) 1.435 13.274 ( -0.754 0.000 2.819) 2.919 13.336 ( 0.584 -0.000 -3.138) 3.192 13.582 ( 2.818 -0.000 -3.065) 4.164 13.922 ( 0.613 -0.000 -0.156) 0.633 14.021 ( 0.112 -0.000 -0.501) 0.513 ======================= Grid point 151 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -6.704 4.538 2.122) 8.369 1.325 ( -8.035 -1.519 -1.082) 8.249 1.532 ( -1.082 3.272 2.376) 4.186 1.609 ( 9.181 0.270 -0.823) 9.222 1.707 ( -0.048 -2.680 -0.974) 2.852 1.943 ( 1.068 -1.547 -2.269) 2.947 2.058 ( -0.818 3.700 2.397) 4.484 2.174 ( 3.788 4.806 -2.787) 6.724 2.259 ( 4.460 -0.189 -0.586) 4.503 2.393 ( 2.523 -2.179 -3.012) 4.493 2.435 ( 6.595 9.948 2.962) 12.298 3.182 ( 8.263 -3.530 -4.097) 9.876 3.256 ( 2.857 -0.906 5.072) 5.891 3.311 ( 0.216 0.423 7.368) 7.383 4.040 ( 10.334 -2.300 9.820) 14.440 4.606 ( 4.193 1.062 -0.038) 4.326 4.699 ( -0.657 2.070 -3.327) 3.973 4.902 ( 6.688 -0.210 -8.405) 10.743 5.077 ( 3.162 -2.155 0.114) 3.828 5.241 ( 7.082 0.027 -1.855) 7.321 5.405 ( -1.863 6.822 -7.030) 9.972 5.641 ( -2.944 -3.674 -0.635) 4.750 6.845 ( -11.867 0.270 15.596) 19.600 7.559 ( -4.034 -2.374 -13.867) 14.635 8.690 ( -9.193 -1.560 8.989) 12.951 9.014 ( -2.125 -2.207 -8.672) 9.197 10.052 ( 4.824 2.134 0.355) 5.286 10.353 ( 1.272 -0.104 3.263) 3.504 10.491 ( 1.825 1.621 0.266) 2.456 10.688 ( 1.627 -0.774 -2.104) 2.770 13.175 ( 0.343 0.194 1.075) 1.145 13.272 ( -0.518 0.160 3.223) 3.268 13.335 ( 0.421 0.027 -3.132) 3.160 13.607 ( 1.949 0.426 -3.665) 4.173 13.937 ( 1.138 -0.174 -0.123) 1.158 14.018 ( -0.126 0.244 -0.370) 0.461 ======================= Grid point 152 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -6.896 2.681 1.472) 7.544 1.199 ( -8.943 -1.484 -2.385) 9.374 1.429 ( -4.716 4.817 5.875) 8.942 1.723 ( 7.028 2.513 -3.763) 8.359 1.746 ( 1.122 -2.126 -0.747) 2.517 1.965 ( -0.629 -1.132 -1.000) 1.636 2.002 ( 1.085 3.695 1.476) 4.124 2.122 ( -0.588 3.913 -2.769) 4.830 2.320 ( 4.940 2.927 0.478) 5.762 2.406 ( 7.616 11.117 3.818) 14.006 2.471 ( 4.448 -1.094 -2.168) 5.067 3.084 ( -4.702 9.538 2.368) 10.894 3.332 ( 2.926 1.638 4.136) 5.325 3.441 ( 2.119 -6.832 2.090) 7.452 4.226 ( 5.645 3.117 5.247) 8.313 4.594 ( -0.670 5.446 -0.104) 5.488 4.651 ( -0.940 1.739 0.045) 1.977 4.906 ( 2.679 5.233 -8.958) 10.715 5.130 ( 2.083 2.096 0.853) 3.075 5.284 ( 2.143 0.178 -2.253) 3.115 5.358 ( 4.392 1.645 -3.154) 5.652 5.628 ( -3.595 -3.570 -4.356) 6.682 6.761 ( -6.927 -4.098 14.605) 16.676 7.543 ( -0.554 -6.516 -13.051) 14.598 8.628 ( -7.845 -4.988 9.211) 13.087 9.016 ( 0.692 -3.985 -9.804) 10.606 10.094 ( 5.437 3.672 1.326) 6.693 10.360 ( -3.349 0.059 6.387) 7.212 10.473 ( 2.797 4.350 -3.032) 5.995 10.705 ( -0.200 -0.512 -2.162) 2.230 13.179 ( 0.297 0.374 1.042) 1.146 13.273 ( -0.432 0.157 3.583) 3.613 13.329 ( 0.329 0.265 -3.156) 3.184 13.609 ( 1.091 0.926 -4.165) 4.404 13.956 ( 1.001 0.085 -0.070) 1.007 14.009 ( -0.214 0.298 -0.515) 0.632 ======================= Grid point 153 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -5.454 1.057 0.774) 5.609 1.090 ( -6.608 -1.608 -2.342) 7.193 1.323 ( -1.429 5.637 7.579) 9.553 1.714 ( 1.685 4.096 -5.043) 6.711 1.797 ( 1.645 -0.632 -1.648) 2.413 1.945 ( 0.206 2.597 3.020) 3.988 2.001 ( -0.280 0.386 -3.216) 3.251 2.078 ( 1.444 0.237 -0.184) 1.475 2.325 ( 2.278 5.285 1.572) 5.965 2.386 ( 9.840 12.488 4.081) 16.415 2.541 ( 1.954 -2.199 -1.476) 3.291 2.857 ( -5.151 11.336 -0.140) 12.452 3.357 ( 1.867 2.204 3.251) 4.349 3.515 ( -0.994 -1.378 1.160) 2.057 4.029 ( -10.411 19.051 11.454) 24.547 4.484 ( -0.787 6.530 -1.276) 6.700 4.602 ( -2.134 3.455 2.136) 4.588 4.895 ( 6.378 3.194 -9.882) 12.188 5.106 ( 0.993 4.932 1.509) 5.252 5.311 ( 0.833 0.044 0.464) 0.955 5.372 ( 2.439 2.692 -5.258) 6.390 5.628 ( -1.617 -5.278 -7.664) 9.445 6.840 ( -1.434 -9.823 12.559) 16.009 7.630 ( 1.665 -9.379 -12.078) 15.382 8.635 ( -6.208 -7.534 8.722) 13.091 9.093 ( 4.217 -6.017 -10.241) 12.604 10.130 ( 5.504 4.277 2.048) 7.265 10.261 ( -7.813 3.356 5.312) 10.026 10.467 ( 4.271 3.793 -1.979) 6.045 10.677 ( -2.072 1.017 -2.145) 3.152 13.179 ( -0.065 0.501 1.345) 1.437 13.274 ( -0.675 0.134 3.811) 3.873 13.323 ( 0.773 0.226 -3.120) 3.222 13.592 ( 0.530 1.433 -4.520) 4.771 13.963 ( 0.384 0.514 0.071) 0.645 14.001 ( -0.111 0.129 -0.859) 0.876 ======================= Grid point 154 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.028 1.172 2.295) 2.577 1.054 ( 1.659 -1.480 -2.399) 3.271 1.249 ( -0.190 8.149 8.230) 11.583 1.669 ( -0.118 2.262 -5.663) 6.099 1.804 ( -0.600 -0.063 1.767) 1.867 1.925 ( 0.836 2.117 2.879) 3.670 1.981 ( -1.143 -1.558 -2.854) 3.446 2.104 ( 1.356 2.865 -2.624) 4.115 2.294 ( 3.484 3.811 5.013) 7.197 2.385 ( 7.682 10.107 3.246) 13.104 2.575 ( -1.051 -0.193 -2.615) 2.824 2.633 ( -1.867 9.217 -2.545) 9.743 3.295 ( -7.648 11.424 2.461) 13.967 3.392 ( -1.421 8.465 2.664) 8.987 3.745 ( -2.579 6.100 15.443) 16.803 4.378 ( 0.164 7.084 -1.706) 7.288 4.504 ( -2.245 5.764 2.116) 6.538 4.896 ( 5.326 5.886 -9.358) 12.271 5.042 ( 0.640 6.137 1.575) 6.368 5.310 ( -0.153 2.649 -2.719) 3.799 5.352 ( 1.188 -0.400 -1.634) 2.059 5.659 ( -0.249 -4.206 -9.553) 10.441 7.020 ( -0.913 -11.424 10.882) 15.804 7.760 ( 1.804 -9.774 -11.837) 15.456 8.688 ( -4.473 -8.429 7.408) 12.080 9.245 ( 6.526 -7.158 -9.939) 13.878 10.074 ( -8.942 4.877 3.765) 10.859 10.166 ( 5.032 4.375 2.683) 7.188 10.471 ( 3.101 3.948 0.040) 5.020 10.608 ( -2.251 2.241 -2.256) 3.896 13.172 ( -0.499 0.495 1.734) 1.871 13.273 ( -0.714 -0.108 3.063) 3.147 13.329 ( 1.152 0.004 -2.308) 2.579 13.561 ( 0.308 1.857 -4.474) 4.854 13.956 ( -0.139 0.734 0.196) 0.773 13.998 ( 0.100 -0.152 -1.212) 1.225 ======================= Grid point 155 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 9.481 0.419 2.146) 9.729 1.118 ( -0.540 9.064 7.428) 11.731 1.169 ( 6.927 -0.306 0.799) 6.979 1.563 ( -7.847 3.647 7.124) 11.208 1.824 ( 1.839 -0.620 0.386) 1.978 1.938 ( 0.543 -0.595 1.500) 1.703 1.973 ( -0.328 1.936 -2.091) 2.869 2.028 ( -0.624 3.012 -2.464) 3.941 2.343 ( 3.361 6.069 -1.308) 7.060 2.369 ( 0.962 -1.564 7.299) 7.526 2.436 ( 1.572 9.656 -5.212) 11.085 2.624 ( 0.785 -3.290 -3.203) 4.658 2.969 ( -0.764 18.356 5.916) 19.301 3.335 ( 0.410 4.048 2.570) 4.813 3.744 ( 0.016 0.517 12.413) 12.423 4.302 ( 3.082 5.496 -3.000) 6.979 4.414 ( 1.161 5.396 1.559) 5.736 4.863 ( 5.772 6.828 -8.170) 12.111 4.982 ( 1.778 5.373 1.070) 5.760 5.232 ( -0.557 4.551 -6.422) 7.891 5.403 ( 0.695 -3.379 2.295) 4.143 5.671 ( 0.383 -1.712 -10.079) 10.230 7.156 ( -4.566 -8.897 10.754) 14.686 7.866 ( -0.125 -7.912 -11.969) 14.348 8.771 ( -2.579 -8.191 6.180) 10.580 9.388 ( 3.560 -3.578 -9.833) 11.053 9.900 ( -6.321 2.099 4.500) 8.038 10.187 ( 3.985 3.969 1.084) 5.728 10.441 ( 0.446 4.591 2.866) 5.431 10.561 ( 1.430 1.910 -2.933) 3.781 13.163 ( -0.608 0.251 1.987) 2.093 13.275 ( -0.630 -0.557 2.124) 2.285 13.340 ( 0.962 0.065 -1.807) 2.048 13.529 ( 0.743 1.778 -3.804) 4.264 13.942 ( -0.326 0.698 0.155) 0.786 14.001 ( 0.308 -0.377 -1.355) 1.440 ======================= Grid point 159 (79/129) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -9.328 0.000 3.447) 9.944 1.174 ( -8.381 0.000 -2.971) 8.892 1.488 ( -6.107 0.000 5.323) 8.102 1.717 ( 2.844 -0.000 -2.202) 3.597 1.744 ( 7.269 -0.000 -3.615) 8.118 1.937 ( 0.442 -0.000 -2.534) 2.572 2.081 ( -0.844 0.000 4.668) 4.744 2.173 ( -2.633 0.000 -4.051) 4.831 2.365 ( 6.358 -0.000 0.111) 6.359 2.398 ( 1.572 -0.000 -1.151) 1.948 2.714 ( 13.949 -0.000 -1.967) 14.087 3.225 ( -7.152 0.000 6.823) 9.885 3.270 ( 8.784 -0.000 -1.957) 8.999 3.354 ( 0.301 -0.000 6.505) 6.512 4.244 ( 13.441 -0.000 5.846) 14.657 4.660 ( 1.463 -0.000 0.434) 1.527 4.683 ( -1.077 0.000 -1.894) 2.178 4.993 ( 5.843 -0.000 -8.462) 10.283 5.133 ( 5.711 -0.000 -0.012) 5.711 5.337 ( 4.271 -0.000 -1.692) 4.594 5.427 ( -0.095 0.000 -9.467) 9.467 5.521 ( -6.382 0.000 2.612) 6.895 6.705 ( -11.528 0.000 16.321) 19.982 7.447 ( -1.798 0.000 -14.159) 14.273 8.551 ( -9.600 0.000 9.518) 13.519 8.960 ( 0.764 -0.000 -9.922) 9.952 10.150 ( 5.303 -0.000 0.845) 5.369 10.359 ( -2.269 0.000 7.309) 7.653 10.542 ( 3.103 -0.000 -3.531) 4.701 10.689 ( 0.094 -0.000 -2.033) 2.035 13.185 ( 0.383 -0.000 0.736) 0.830 13.277 ( -0.437 0.000 3.715) 3.741 13.332 ( 0.401 -0.000 -3.306) 3.330 13.622 ( 1.070 -0.000 -4.172) 4.307 13.958 ( 1.486 -0.000 -0.261) 1.509 14.014 ( -0.429 0.000 -0.266) 0.505 ======================= Grid point 160 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -6.769 1.621 2.400) 7.363 1.059 ( -4.878 -0.502 -2.600) 5.551 1.409 ( -4.942 0.895 7.275) 8.840 1.752 ( 1.865 -0.090 -1.591) 2.453 1.810 ( 3.267 0.718 -5.451) 6.396 1.936 ( -0.429 -0.935 -3.211) 3.372 2.069 ( -0.038 2.579 3.342) 4.221 2.114 ( -1.626 1.141 -1.360) 2.407 2.425 ( 2.817 1.514 -0.056) 3.198 2.435 ( 0.818 -1.781 0.770) 2.106 2.824 ( 12.606 12.434 -1.265) 17.752 3.096 ( -7.040 3.776 3.473) 8.711 3.364 ( -1.904 -0.710 6.430) 6.744 3.419 ( 5.661 -3.822 -0.382) 6.841 4.408 ( 6.529 6.409 3.080) 9.654 4.646 ( -0.768 3.442 0.071) 3.527 4.669 ( 0.622 1.321 0.108) 1.464 4.978 ( 0.704 3.276 -7.701) 8.398 5.213 ( 3.558 2.709 0.950) 4.572 5.317 ( -0.663 0.227 -0.592) 0.917 5.425 ( 2.758 0.809 -4.256) 5.135 5.492 ( -2.172 -3.995 -4.744) 6.571 6.623 ( -8.012 -4.648 15.559) 18.107 7.433 ( 1.849 -4.011 -13.433) 14.140 8.469 ( -7.367 -3.505 9.346) 12.406 8.978 ( 3.755 -2.115 -10.516) 11.364 10.219 ( 4.416 1.778 2.120) 5.211 10.319 ( -5.351 0.927 7.504) 9.262 10.561 ( 3.233 2.382 -3.787) 5.520 10.681 ( -0.737 -0.444 -2.478) 2.623 13.190 ( 0.098 0.225 0.718) 0.759 13.281 ( -0.390 0.197 4.006) 4.030 13.327 ( 0.313 0.056 -3.313) 3.328 13.617 ( 0.439 0.412 -4.570) 4.609 13.976 ( 1.086 0.320 -0.257) 1.161 14.004 ( -0.557 0.057 -0.392) 0.684 ======================= Grid point 161 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.194 0.957 1.256) 1.979 1.034 ( 2.499 -0.047 -2.118) 3.276 1.365 ( -1.912 1.117 7.646) 7.960 1.753 ( 0.018 1.910 -2.125) 2.857 1.803 ( 0.336 0.922 -5.098) 5.192 1.928 ( -1.616 -1.785 -3.479) 4.231 2.012 ( -1.351 3.626 2.489) 4.600 2.121 ( 2.768 0.160 -0.209) 2.781 2.408 ( -0.301 3.453 1.250) 3.685 2.469 ( -1.173 -2.766 0.893) 3.135 2.774 ( 3.005 12.003 1.803) 12.504 2.955 ( 1.996 10.262 -2.626) 10.780 3.350 ( -3.993 -0.943 5.709) 7.031 3.522 ( 2.791 -0.534 0.499) 2.885 4.204 ( -6.798 20.273 8.716) 23.091 4.568 ( 0.371 5.705 -0.218) 5.722 4.636 ( -0.553 3.583 0.831) 3.720 4.988 ( 4.306 0.203 -9.163) 10.126 5.199 ( 1.474 3.912 1.624) 4.485 5.287 ( -4.578 -1.165 0.979) 4.824 5.409 ( -0.165 1.858 -4.498) 4.869 5.551 ( 4.721 -2.897 -7.911) 9.657 6.689 ( -3.691 -10.845 13.534) 17.731 7.521 ( 4.135 -6.656 -12.334) 14.613 8.473 ( -4.358 -6.201 8.308) 11.246 9.075 ( 6.761 -4.491 -10.335) 13.142 10.197 ( -7.564 3.565 5.086) 9.787 10.261 ( 2.357 2.139 4.127) 5.212 10.566 ( 3.254 2.765 -2.361) 4.879 10.655 ( -1.028 1.015 -2.799) 3.150 13.185 ( -0.405 0.418 1.040) 1.192 13.281 ( -0.559 0.504 3.579) 3.657 13.325 ( 0.564 -0.268 -2.663) 2.736 13.598 ( 0.119 0.811 -4.847) 4.916 13.979 ( 0.379 0.803 -0.018) 0.888 13.994 ( -0.453 -0.103 -0.693) 0.834 ======================= Grid point 162 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 6.494 -0.343 0.368) 6.514 1.123 ( 7.971 -0.440 -1.740) 8.170 1.343 ( -0.782 3.249 7.468) 8.181 1.672 ( -3.462 4.698 -3.514) 6.812 1.792 ( 0.101 -0.839 -0.576) 1.022 1.909 ( -2.474 -1.759 -2.629) 4.015 1.979 ( 0.929 1.666 2.464) 3.117 2.143 ( 0.843 1.826 -3.608) 4.131 2.363 ( -0.715 1.406 4.583) 4.847 2.476 ( -2.732 -1.984 0.357) 3.396 2.631 ( -1.130 8.727 -2.345) 9.107 2.817 ( 1.043 14.424 -0.732) 14.480 3.293 ( -4.768 1.041 3.924) 6.262 3.492 ( -0.558 7.647 2.038) 7.934 3.912 ( 0.300 13.486 11.900) 17.988 4.496 ( 1.946 7.009 -0.990) 7.341 4.570 ( -0.015 5.244 0.885) 5.319 4.983 ( 0.512 1.384 -8.381) 8.510 5.147 ( 0.721 5.861 1.052) 5.998 5.267 ( -3.113 -3.061 0.796) 4.438 5.360 ( -0.473 1.315 -5.023) 5.214 5.631 ( 4.927 -0.566 -7.306) 8.830 6.848 ( -3.252 -12.389 11.707) 17.352 7.649 ( 4.169 -6.857 -11.807) 14.276 8.547 ( -1.405 -7.237 6.690) 9.955 9.240 ( 8.096 -5.782 -9.757) 13.934 10.014 ( -9.001 4.970 4.731) 11.318 10.272 ( 0.828 1.836 3.565) 4.094 10.557 ( 0.882 3.452 0.141) 3.565 10.620 ( 1.532 2.194 -3.492) 4.399 13.173 ( -0.773 0.447 1.459) 1.711 13.274 ( -0.572 0.390 2.498) 2.592 13.335 ( 0.685 -0.460 -1.563) 1.767 13.571 ( 0.122 1.119 -4.741) 4.873 13.968 ( -0.089 1.064 0.266) 1.101 13.990 ( -0.177 -0.385 -0.996) 1.082 ======================= Grid point 163 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 9.536 -1.514 -1.312) 9.744 1.228 ( 1.122 2.843 5.145) 5.985 1.274 ( 0.993 4.581 2.166) 5.163 1.545 ( -2.332 3.280 6.879) 7.970 1.823 ( 0.997 -2.097 -0.691) 2.423 1.899 ( -1.740 -2.268 -1.907) 3.437 1.989 ( 0.935 0.519 1.287) 1.673 2.063 ( -2.443 5.206 -2.963) 6.469 2.337 ( -5.851 2.813 4.771) 8.057 2.422 ( -1.197 0.999 -0.130) 1.565 2.572 ( 3.627 3.394 -5.387) 7.328 2.603 ( -3.115 5.384 -0.640) 6.253 3.240 ( 1.662 3.606 3.123) 5.051 3.385 ( 1.514 8.867 4.021) 9.853 3.865 ( 4.562 6.802 9.235) 12.343 4.439 ( 3.946 6.373 -2.466) 7.891 4.512 ( 1.660 4.359 0.930) 4.756 4.947 ( 0.042 0.421 -7.070) 7.083 5.097 ( 2.530 4.931 0.173) 5.545 5.227 ( -3.136 0.425 -3.943) 5.056 5.354 ( -0.431 -1.818 -0.939) 2.091 5.676 ( 3.810 0.843 -6.048) 7.197 6.970 ( -5.811 -9.720 11.397) 16.067 7.749 ( 2.141 -4.921 -11.805) 12.967 8.663 ( 0.677 -6.993 5.668) 9.027 9.377 ( 3.640 -1.843 -9.838) 10.651 9.851 ( -5.297 1.804 5.455) 7.815 10.257 ( -0.556 1.388 1.122) 1.869 10.510 ( -0.230 3.755 3.045) 4.839 10.623 ( 3.616 2.197 -3.596) 5.553 13.161 ( -0.705 0.196 1.729) 1.878 13.269 ( -0.536 0.021 1.911) 1.985 13.345 ( 0.449 -0.269 -1.372) 1.469 13.548 ( 0.720 0.937 -4.053) 4.222 13.951 ( -0.176 1.043 0.348) 1.114 13.993 ( 0.124 -0.621 -1.108) 1.276 ======================= Grid point 168 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.425 -0.000 2.053) 3.177 1.036 ( 3.087 -0.000 -1.683) 3.516 1.371 ( -2.886 -0.000 7.532) 8.066 1.777 ( 1.529 -0.000 -1.170) 1.926 1.813 ( -1.376 -0.000 -4.628) 4.828 1.905 ( -0.863 -0.000 -5.841) 5.905 2.099 ( -0.425 -0.000 3.781) 3.805 2.105 ( 0.587 0.000 0.217) 0.626 2.419 ( -0.940 -0.000 1.346) 1.642 2.459 ( -0.655 -0.000 -0.297) 0.719 2.978 ( -9.480 -0.000 3.712) 10.181 3.097 ( 9.024 -0.000 -1.704) 9.183 3.344 ( -2.274 -0.000 4.838) 5.345 3.484 ( 5.562 -0.000 0.486) 5.584 4.554 ( 1.759 -0.000 0.361) 1.796 4.662 ( -0.507 -0.000 -0.603) 0.788 4.705 ( 0.903 -0.000 0.781) 1.194 4.937 ( -4.222 -0.000 -6.808) 8.011 5.208 ( -5.551 -0.000 1.858) 5.854 5.298 ( 1.194 -0.000 0.892) 1.490 5.448 ( -1.364 -0.000 -3.040) 3.331 5.508 ( 9.111 -0.000 -7.396) 11.735 6.516 ( -6.079 -0.000 15.496) 16.646 7.422 ( 5.471 -0.000 -12.905) 14.016 8.381 ( -3.905 -0.000 8.878) 9.698 9.011 ( 6.470 -0.000 -10.643) 12.456 10.253 ( -6.951 -0.000 6.755) 9.693 10.285 ( 1.229 -0.000 3.611) 3.815 10.611 ( 2.417 -0.000 -2.997) 3.850 10.666 ( 0.457 -0.000 -3.247) 3.279 13.192 ( -0.327 -0.000 0.690) 0.763 13.291 ( -0.254 -0.000 4.289) 4.296 13.319 ( 0.037 -0.000 -3.342) 3.343 13.609 ( 0.033 -0.000 -4.815) 4.815 13.992 ( 0.603 -0.000 -0.207) 0.638 13.993 ( -0.688 -0.000 -0.471) 0.834 ======================= Grid point 170 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 4.214 0.107 1.373) 4.434 1.125 ( 8.092 0.333 -1.222) 8.190 1.371 ( -0.059 0.016 6.719) 6.720 1.748 ( -3.024 0.804 -3.758) 4.890 1.790 ( -0.828 -0.260 -1.968) 2.151 1.870 ( -1.868 -0.363 -4.027) 4.454 2.063 ( -0.105 3.588 2.777) 4.539 2.151 ( 2.314 -1.022 -0.658) 2.614 2.400 ( -3.785 -0.722 1.286) 4.062 2.416 ( -3.139 0.090 0.450) 3.172 2.821 ( -6.475 3.698 0.554) 7.477 3.144 ( 2.226 6.229 -0.083) 6.615 3.306 ( -3.147 1.713 4.631) 5.856 3.568 ( 3.222 -0.307 1.047) 3.402 4.363 ( -10.373 13.725 5.224) 17.979 4.634 ( -0.158 2.431 -0.551) 2.497 4.688 ( 1.792 2.979 0.111) 3.478 4.908 ( -5.089 -5.899 -7.260) 10.649 5.201 ( 1.665 -0.960 -0.701) 2.045 5.272 ( -1.866 2.350 1.180) 3.225 5.387 ( -3.585 0.829 -3.618) 5.161 5.637 ( 9.236 0.356 -6.672) 11.400 6.549 ( -2.029 -6.918 14.149) 15.880 7.511 ( 7.630 -2.662 -11.894) 14.380 8.400 ( 0.270 -2.859 7.630) 8.153 9.117 ( 8.744 -2.487 -10.240) 13.693 10.131 ( -8.456 2.756 5.312) 10.359 10.289 ( -2.224 -0.271 4.504) 5.031 10.625 ( 1.265 1.267 -1.493) 2.332 10.669 ( 2.045 1.046 -3.521) 4.204 13.184 ( -0.778 0.235 0.994) 1.284 13.292 ( -0.402 0.782 2.448) 2.601 13.317 ( 0.107 -0.766 -1.308) 1.520 13.590 ( -0.152 0.316 -4.930) 4.942 13.982 ( -0.534 -0.162 -0.728) 0.918 13.992 ( 0.014 0.536 0.118) 0.549 ======================= Grid point 171 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 9.399 -1.228 0.965) 9.528 1.227 ( 4.191 0.701 1.003) 4.366 1.400 ( 2.624 1.761 3.217) 4.509 1.655 ( -4.750 2.487 -2.111) 5.762 1.774 ( -1.016 -1.154 -0.864) 1.764 1.837 ( -2.384 -1.315 -1.796) 3.262 2.031 ( 0.798 2.593 1.532) 3.116 2.165 ( -0.090 2.218 -3.231) 3.920 2.345 ( -2.915 -0.920 2.834) 4.168 2.386 ( -4.093 -2.720 0.068) 4.915 2.692 ( -1.765 4.849 -3.765) 6.387 2.957 ( -8.646 13.966 3.453) 16.784 3.234 ( -5.446 0.704 6.601) 8.587 3.581 ( 1.352 3.005 -0.026) 3.295 4.105 ( -3.477 7.135 7.176) 10.700 4.588 ( -0.124 3.191 -0.432) 3.222 4.658 ( 1.694 5.817 -0.834) 6.115 4.869 ( -5.638 -4.654 -6.777) 9.969 5.187 ( -1.748 1.579 1.101) 2.600 5.235 ( -0.924 1.794 -2.069) 2.890 5.326 ( -1.835 -1.393 -3.371) 4.083 5.732 ( 7.435 2.411 -5.785) 9.724 6.691 ( -0.752 -8.968 12.542) 15.437 7.640 ( 7.662 -2.765 -11.381) 13.995 8.503 ( 3.539 -4.064 6.078) 8.123 9.279 ( 9.180 -3.829 -9.801) 13.964 9.956 ( -8.733 4.394 4.937) 10.952 10.260 ( -3.927 -0.990 3.635) 5.443 10.601 ( -0.682 2.476 0.574) 2.632 10.681 ( 3.098 1.684 -3.484) 4.957 13.169 ( -0.944 0.315 1.391) 1.710 13.279 ( -0.435 0.624 0.996) 1.253 13.329 ( 0.111 -0.800 0.144) 0.821 13.567 ( -0.091 0.447 -4.710) 4.732 13.978 ( -0.176 -0.421 -0.996) 1.096 13.981 ( -0.276 0.865 0.451) 1.014 ======================= Grid point 172 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 1.390 1.515 2.869) 3.530 1.280 ( -1.366 3.266 3.869) 5.244 1.332 ( 0.393 1.612 1.213) 2.055 1.607 ( 2.213 1.384 3.433) 4.313 1.790 ( -1.187 -3.579 0.472) 3.800 1.832 ( -0.581 -2.127 -2.059) 3.017 2.019 ( 0.648 1.395 -0.545) 1.632 2.077 ( -3.318 4.448 -0.712) 5.595 2.293 ( -6.924 3.245 4.474) 8.859 2.366 ( -2.668 -2.505 -1.475) 3.945 2.622 ( -0.213 2.924 -4.136) 5.069 2.651 ( -2.867 6.773 -0.928) 7.413 3.175 ( -6.490 -2.836 9.440) 11.801 3.558 ( 2.808 4.478 -0.766) 5.340 4.058 ( 1.911 3.064 5.102) 6.251 4.553 ( 1.578 2.813 -1.168) 3.430 4.580 ( -0.669 4.907 -0.582) 4.987 4.833 ( -4.523 -4.653 -6.485) 9.174 5.159 ( -1.917 0.899 -2.638) 3.382 5.177 ( -0.001 0.400 -0.550) 0.680 5.328 ( -0.656 -1.388 -1.442) 2.106 5.766 ( 4.926 4.057 -4.853) 8.017 6.818 ( -2.070 -6.483 12.021) 13.814 7.739 ( 5.868 -0.547 -11.484) 12.908 8.645 ( 4.608 -3.875 5.501) 8.156 9.392 ( 3.462 0.569 -10.353) 10.931 9.815 ( -4.048 0.967 6.092) 7.378 10.228 ( -2.851 -1.650 1.151) 3.490 10.546 ( -2.225 2.549 2.710) 4.335 10.695 ( 2.893 1.599 -3.241) 4.630 13.157 ( -0.677 0.112 1.643) 1.780 13.269 ( -0.329 0.318 1.067) 1.161 13.339 ( -0.157 -0.549 -0.298) 0.644 13.552 ( 0.448 0.068 -4.049) 4.074 13.964 ( -0.240 0.972 0.566) 1.151 13.983 ( 0.193 -0.693 -1.134) 1.343 ======================= Grid point 178 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 7.875 -0.000 1.659) 8.047 1.247 ( 5.513 -0.000 1.127) 5.627 1.422 ( 4.655 -0.000 2.907) 5.488 1.664 ( -5.791 0.000 -3.918) 6.992 1.756 ( -3.130 0.000 -0.403) 3.155 1.831 ( -1.517 0.000 -3.397) 3.721 2.094 ( -0.850 0.000 3.004) 3.122 2.189 ( 3.913 -0.000 -1.893) 4.347 2.328 ( -4.913 0.000 1.097) 5.034 2.339 ( -6.008 0.000 0.177) 6.011 2.750 ( -4.424 0.000 -1.494) 4.669 3.174 ( -3.129 0.000 1.011) 3.288 3.293 ( -4.368 0.000 4.861) 6.535 3.611 ( 1.331 -0.000 0.338) 1.373 4.180 ( -24.012 0.000 10.018) 26.018 4.628 ( -1.905 0.000 -0.525) 1.976 4.765 ( 4.166 -0.000 -1.100) 4.309 4.785 ( -1.646 0.000 -8.303) 8.464 5.230 ( -4.887 0.000 1.616) 5.147 5.253 ( 4.223 -0.000 -3.343) 5.386 5.302 ( -6.194 0.000 -3.100) 6.926 5.765 ( 8.648 -0.000 -6.260) 10.676 6.551 ( 2.809 -0.000 13.805) 14.088 7.600 ( 9.794 -0.000 -11.067) 14.778 8.446 ( 4.954 -0.000 6.465) 8.145 9.218 ( 10.187 -0.000 -9.959) 14.247 10.032 ( -8.734 0.000 4.552) 9.849 10.234 ( -5.438 0.000 4.525) 7.075 10.637 ( -0.495 0.000 -0.498) 0.702 10.705 ( 2.488 -0.000 -3.109) 3.983 13.174 ( -1.013 0.000 1.277) 1.630 13.296 ( -0.155 0.000 -3.284) 3.288 13.310 ( -0.343 0.000 4.582) 4.595 13.573 ( -0.333 0.000 -4.864) 4.876 13.971 ( -0.297 0.000 -0.972) 1.016 13.994 ( -0.375 0.000 0.454) 0.588 ======================= Grid point 179 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 8.294 -1.404 1.871) 8.618 1.277 ( -1.008 1.240 4.985) 5.235 1.476 ( -1.113 4.176 -2.207) 4.852 1.584 ( -1.206 -2.981 -1.406) 3.509 1.710 ( -3.259 -1.512 0.362) 3.611 1.804 ( -0.272 0.002 -2.711) 2.724 2.070 ( -0.945 1.757 1.170) 2.312 2.180 ( -2.697 3.112 -0.906) 4.217 2.274 ( -5.140 -2.505 0.897) 5.788 2.300 ( 0.980 -2.045 -0.839) 2.417 2.697 ( -0.336 0.734 -4.133) 4.211 2.998 ( -10.972 13.869 2.894) 17.919 3.174 ( -8.357 2.432 6.624) 10.938 3.589 ( -4.163 -2.335 -2.272) 5.286 3.923 ( -17.321 -8.412 14.722) 24.239 4.585 ( -2.766 0.214 -0.083) 2.775 4.739 ( 0.436 1.492 -8.865) 9.000 4.787 ( 0.736 3.162 -2.870) 4.333 5.157 ( -4.115 -0.424 -0.211) 4.142 5.193 ( -5.567 -0.261 -1.656) 5.813 5.292 ( 1.472 -0.094 -3.058) 3.396 5.859 ( 6.673 1.676 -5.987) 9.120 6.684 ( 5.146 -2.560 12.755) 13.990 7.729 ( 10.010 -0.209 -10.698) 14.652 8.576 ( 7.634 -1.097 5.277) 9.345 9.363 ( 9.962 -1.340 -10.008) 14.184 9.889 ( -8.008 2.775 4.702) 9.692 10.167 ( -6.024 -2.031 3.779) 7.396 10.603 ( -2.669 1.264 0.725) 3.041 10.724 ( 1.495 0.481 -2.792) 3.203 13.162 ( -0.937 0.138 1.644) 1.897 13.281 ( -0.071 0.399 -1.820) 1.864 13.321 ( -0.460 -0.544 3.111) 3.192 13.553 ( -0.377 0.001 -4.545) 4.560 13.968 ( 0.144 -0.291 -1.270) 1.311 13.985 ( -0.536 0.422 0.729) 0.998 ======================= Grid point 180 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -2.943 1.520 7.228) 7.951 1.274 ( -10.232 6.533 4.877) 13.083 1.356 ( 3.541 -2.649 -0.483) 4.449 1.621 ( -1.654 -1.300 -1.288) 2.467 1.707 ( -1.794 -2.453 1.574) 3.422 1.824 ( 2.494 -1.697 -1.778) 3.502 2.030 ( -1.192 1.431 -2.112) 2.816 2.095 ( -1.825 3.922 2.011) 4.771 2.229 ( -5.124 -0.344 2.513) 5.717 2.304 ( -3.095 1.582 0.092) 3.477 2.626 ( -7.060 6.613 0.779) 9.705 2.691 ( 2.039 1.676 -5.637) 6.224 3.059 ( -7.307 -1.813 6.770) 10.125 3.577 ( -3.449 -4.603 -1.352) 5.909 3.882 ( -13.529 -11.770 12.933) 22.110 4.552 ( -2.139 -1.392 0.685) 2.642 4.655 ( -0.836 8.165 -6.990) 10.781 4.735 ( -1.487 -1.704 -5.877) 6.297 5.079 ( -5.581 -1.230 -2.032) 6.065 5.184 ( 0.874 -2.425 -1.949) 3.231 5.296 ( -0.155 -0.394 -1.061) 1.143 5.883 ( 3.821 4.111 -5.745) 8.032 6.827 ( 4.668 -0.633 12.011) 12.902 7.833 ( 8.424 2.061 -10.874) 13.909 8.726 ( 7.117 -0.628 5.248) 8.865 9.441 ( 3.281 3.561 -11.167) 12.172 9.789 ( -2.154 -0.258 6.541) 6.891 10.139 ( -3.454 -4.228 1.508) 5.664 10.527 ( -4.683 1.677 2.112) 5.404 10.725 ( 0.282 0.167 -2.655) 2.675 13.154 ( -0.548 0.023 1.860) 1.939 13.273 ( 0.171 0.313 -0.504) 0.618 13.326 ( -0.721 -0.421 1.477) 1.697 13.539 ( -0.019 -0.591 -3.945) 3.989 13.972 ( -0.473 0.588 0.728) 1.048 13.975 ( 0.515 -0.533 -1.423) 1.604 ======================= Grid point 187 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -6.965 0.000 8.859) 11.269 1.310 ( 5.075 -0.000 1.762) 5.373 1.385 ( -11.406 0.000 2.242) 11.624 1.573 ( 0.917 -0.000 -6.403) 6.469 1.693 ( 1.931 -0.000 1.320) 2.339 1.797 ( 0.835 -0.000 -4.028) 4.114 2.050 ( -2.580 0.000 0.579) 2.644 2.141 ( -4.049 0.000 -0.329) 4.063 2.203 ( -1.527 0.000 2.523) 2.950 2.327 ( 3.297 -0.000 -2.752) 4.294 2.699 ( 2.306 -0.000 -5.015) 5.520 2.996 ( -7.871 0.000 -0.438) 7.883 3.076 ( -10.558 0.000 7.706) 13.071 3.194 ( -29.874 0.000 5.250) 30.332 3.765 ( -4.081 0.000 14.627) 15.186 4.524 ( -4.507 0.000 0.037) 4.507 4.701 ( -1.884 0.000 -6.747) 7.005 4.822 ( -1.013 0.000 -8.839) 8.897 5.073 ( -6.485 0.000 -1.312) 6.616 5.089 ( -3.073 0.000 -0.690) 3.150 5.308 ( 0.765 -0.000 -1.809) 1.964 5.941 ( 4.472 -0.000 -6.642) 8.007 6.824 ( 8.455 -0.000 12.198) 14.841 7.861 ( 10.411 -0.000 -10.512) 14.795 8.721 ( 9.087 -0.000 4.592) 10.181 9.482 ( 9.438 -0.000 -11.086) 14.559 9.811 ( -5.899 0.000 5.205) 7.867 10.060 ( -6.375 0.000 3.925) 7.486 10.556 ( -4.820 0.000 1.214) 4.970 10.724 ( -0.763 0.000 -2.513) 2.626 13.155 ( -0.729 0.000 1.976) 2.106 13.278 ( 0.427 -0.000 -2.966) 2.996 13.320 ( -0.797 0.000 4.317) 4.390 13.530 ( -0.650 0.000 -4.228) 4.277 13.968 ( 0.597 -0.000 -1.595) 1.703 13.981 ( -0.685 0.000 0.844) 1.088 ======================= Grid point 188 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -9.981 -0.866 9.407) 13.743 1.186 ( -11.036 1.206 10.163) 15.051 1.354 ( -1.825 -0.087 1.026) 2.095 1.549 ( -3.069 -0.509 -4.430) 5.413 1.707 ( 0.480 1.691 1.359) 2.222 1.827 ( 2.536 -1.880 -3.223) 4.512 2.024 ( -0.411 0.387 -1.064) 1.205 2.106 ( -0.894 -0.822 -1.014) 1.582 2.195 ( -0.124 1.849 3.520) 3.978 2.306 ( -4.802 6.508 2.199) 8.381 2.581 ( -12.853 6.770 3.966) 15.059 2.737 ( 3.888 1.321 -7.065) 8.172 2.934 ( -6.459 -2.832 2.584) 7.511 3.140 ( -17.917 -22.629 5.732) 29.427 3.753 ( -2.992 0.940 13.359) 13.722 4.465 ( -4.911 -2.664 0.548) 5.614 4.643 ( -6.237 0.929 -3.385) 7.157 4.692 ( -3.306 2.400 -12.644) 13.287 4.971 ( -5.095 -0.269 -0.769) 5.160 5.110 ( -0.385 -5.659 -4.057) 6.973 5.310 ( 0.815 0.705 0.411) 1.154 5.951 ( 1.472 2.274 -7.241) 7.731 6.985 ( 8.269 1.737 11.532) 14.296 7.971 ( 8.887 2.145 -10.854) 14.191 8.862 ( 6.974 1.053 4.936) 8.609 9.518 ( 2.500 5.202 -12.120) 13.425 9.788 ( 1.181 -1.125 6.566) 6.766 10.021 ( -3.445 -4.994 2.068) 6.410 10.464 ( -6.281 0.945 2.089) 6.687 10.693 ( -2.505 -0.724 -2.450) 3.578 13.152 ( -0.399 -0.043 2.145) 2.182 13.280 ( 0.873 0.044 -2.140) 2.311 13.318 ( -0.929 0.145 3.311) 3.442 13.512 ( -0.525 -0.800 -3.730) 3.851 13.970 ( -0.692 0.205 0.698) 1.004 13.976 ( 0.887 -0.238 -1.778) 2.001 ======================= Grid point 196 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -11.986 0.000 15.997) 19.989 1.044 ( -10.236 0.000 11.850) 15.659 1.282 ( -8.261 0.000 2.403) 8.604 1.489 ( -3.706 0.000 -1.156) 3.882 1.723 ( -0.956 0.000 2.894) 3.048 1.869 ( 6.153 -0.000 -4.312) 7.513 2.017 ( -2.498 0.000 0.595) 2.568 2.079 ( 0.014 -0.000 -2.275) 2.275 2.214 ( -8.485 0.000 2.995) 8.999 2.328 ( -2.920 0.000 -1.012) 3.090 2.370 ( -8.942 0.000 14.336) 16.897 2.715 ( -8.650 0.000 -0.851) 8.692 2.832 ( 7.799 -0.000 -8.463) 11.509 2.862 ( -4.084 0.000 4.897) 6.376 3.776 ( -1.050 0.000 13.986) 14.026 4.353 ( -6.149 0.000 -0.011) 6.149 4.521 ( -12.899 0.000 -12.945) 18.275 4.559 ( -4.686 0.000 -2.471) 5.297 4.899 ( -4.237 0.000 -0.558) 4.273 5.060 ( 1.979 -0.000 -5.173) 5.538 5.334 ( 1.283 -0.000 1.625) 2.071 5.945 ( -1.136 0.000 -8.553) 8.629 7.161 ( 7.200 -0.000 11.283) 13.385 8.085 ( 7.364 -0.000 -11.485) 13.643 8.978 ( 4.081 -0.000 4.798) 6.299 9.548 ( 0.412 -0.000 -11.581) 11.588 9.848 ( 4.667 -0.000 4.714) 6.634 9.942 ( -1.583 0.000 1.967) 2.525 10.375 ( -6.517 0.000 2.836) 7.108 10.625 ( -4.085 0.000 -2.338) 4.707 13.153 ( -0.281 0.000 2.267) 2.284 13.290 ( 1.299 -0.000 -2.446) 2.770 13.320 ( -0.528 0.000 3.526) 3.565 13.485 ( -0.623 0.000 -3.339) 3.396 13.962 ( -0.788 0.000 0.475) 0.920 13.985 ( 1.064 -0.000 -2.009) 2.273 ======================= Grid point 197 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -3.902 0.000 8.946) 9.760 1.100 ( -0.454 0.000 0.602) 0.754 1.269 ( -3.621 0.000 14.481) 14.927 1.515 ( 7.166 -0.000 -9.227) 11.683 1.858 ( -13.252 0.000 10.076) 16.648 1.943 ( 4.958 -0.000 9.480) 10.698 2.018 ( -1.675 0.000 -2.872) 3.325 2.030 ( 9.068 -0.000 -3.825) 9.842 2.054 ( -0.378 0.000 -1.500) 1.547 2.103 ( -1.056 0.000 -6.053) 6.145 2.591 ( -2.377 0.000 4.440) 5.036 2.612 ( -1.188 0.000 2.972) 3.200 2.808 ( -3.032 0.000 -1.425) 3.350 2.849 ( 7.675 -0.000 -6.847) 10.285 4.044 ( -1.303 0.000 8.979) 9.073 4.154 ( -2.332 0.000 -3.027) 3.822 4.268 ( 4.180 -0.000 4.075) 5.838 4.384 ( -0.250 0.000 -5.735) 5.740 4.848 ( -0.434 0.000 2.424) 2.462 4.944 ( 1.839 -0.000 -7.565) 7.785 5.496 ( 4.432 -0.000 4.681) 6.446 5.611 ( -5.044 0.000 -7.557) 9.086 7.596 ( -0.406 0.000 13.748) 13.754 7.870 ( 0.218 -0.000 -14.210) 14.212 9.139 ( -1.637 0.000 7.125) 7.310 9.294 ( 0.254 -0.000 -8.782) 8.785 9.977 ( 0.283 -0.000 1.269) 1.300 9.993 ( 0.767 -0.000 -0.395) 0.863 10.376 ( 0.814 -0.000 4.829) 4.898 10.458 ( -1.088 0.000 -3.591) 3.752 13.209 ( -0.583 0.000 2.886) 2.945 13.266 ( 0.955 -0.000 -2.904) 3.057 13.361 ( -1.334 0.000 2.343) 2.696 13.412 ( 1.279 -0.000 -2.797) 3.076 13.945 ( -0.959 0.000 0.732) 1.206 13.968 ( 1.027 -0.000 -1.597) 1.899 ======================= Grid point 198 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 5.251 1.731 5.640) 7.898 1.123 ( 1.432 -1.860 7.061) 7.441 1.300 ( 3.952 1.345 5.813) 7.156 1.574 ( 3.172 0.712 -8.820) 9.400 1.752 ( -6.234 -4.781 7.147) 10.620 1.940 ( -3.772 -0.103 -1.365) 4.012 2.015 ( -1.355 0.378 3.831) 4.081 2.027 ( 0.854 3.040 -1.226) 3.387 2.152 ( 7.049 -4.620 0.457) 8.441 2.200 ( 9.458 1.449 -6.071) 11.331 2.537 ( -3.452 1.998 4.891) 6.311 2.630 ( 1.094 -1.314 0.023) 1.710 2.763 ( -2.818 -2.940 1.908) 4.497 3.042 ( 8.020 -10.966 -6.012) 14.856 4.047 ( 0.082 2.238 12.012) 12.219 4.150 ( 2.684 -0.020 -4.014) 4.829 4.347 ( 3.423 -0.646 0.481) 3.516 4.486 ( 6.914 -8.202 -6.556) 12.572 4.885 ( 1.588 -3.025 2.206) 4.067 4.970 ( 1.723 -2.592 -7.237) 7.878 5.501 ( -4.325 1.465 -5.755) 7.346 5.579 ( 4.332 0.525 4.389) 6.189 7.570 ( -4.845 3.976 13.306) 14.709 7.780 ( -2.736 2.948 -13.475) 14.062 9.099 ( -2.766 4.228 8.253) 9.676 9.254 ( -1.355 0.395 -7.564) 7.695 9.960 ( -1.274 1.278 1.035) 2.080 10.048 ( 2.593 -4.084 -1.712) 5.131 10.429 ( 1.950 -1.085 3.356) 4.030 10.464 ( 2.208 -1.434 -2.129) 3.386 13.207 ( -0.722 0.023 2.608) 2.706 13.270 ( 0.711 0.077 -3.100) 3.181 13.350 ( -1.084 -0.222 2.645) 2.867 13.431 ( 1.805 -0.333 -2.949) 3.474 13.935 ( -0.737 -0.270 0.730) 1.072 13.979 ( 0.968 0.056 -1.358) 1.668 ======================= Grid point 199 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 6.215 3.190 0.581) 7.010 1.231 ( 4.432 -2.736 5.005) 7.223 1.370 ( 4.957 1.224 5.043) 7.176 1.580 ( 2.146 -0.040 -2.906) 3.613 1.802 ( -0.725 -6.246 -1.208) 6.403 1.904 ( -1.588 -1.624 -1.373) 2.654 1.980 ( -0.893 2.527 -1.946) 3.312 1.987 ( -1.420 1.753 4.539) 5.069 2.253 ( 3.071 1.829 -4.486) 5.736 2.320 ( 3.945 -5.167 -0.267) 6.506 2.465 ( -4.883 0.770 2.655) 5.611 2.641 ( 5.863 5.861 -4.689) 9.524 2.904 ( 4.355 -13.501 4.693) 14.942 3.319 ( 6.679 -10.427 0.051) 12.383 4.061 ( -0.132 1.556 14.607) 14.690 4.204 ( 6.066 -1.220 -7.794) 9.952 4.438 ( 4.314 -2.793 1.247) 5.288 4.682 ( 6.061 -6.547 -8.248) 12.150 4.985 ( 2.929 -4.519 2.217) 5.824 5.021 ( 1.380 -3.874 -5.710) 7.037 5.401 ( -3.357 1.838 -4.080) 5.594 5.644 ( 3.716 1.304 3.714) 5.413 7.420 ( -7.668 7.096 9.323) 14.003 7.650 ( -3.397 3.273 -9.507) 10.613 8.999 ( -2.637 6.670 8.273) 10.950 9.203 ( -2.499 -0.823 -7.068) 7.542 9.929 ( -0.743 1.178 1.224) 1.854 10.147 ( 1.956 -4.760 -2.127) 5.569 10.483 ( 3.585 -1.077 -0.857) 3.840 10.535 ( 2.351 -1.927 2.123) 3.707 13.201 ( -0.830 0.114 2.181) 2.337 13.267 ( 0.395 0.263 -2.779) 2.819 13.352 ( -0.693 -0.720 2.935) 3.100 13.457 ( 2.084 -0.213 -3.402) 3.995 13.935 ( -0.415 -0.700 0.723) 1.089 13.986 ( 0.729 0.350 -1.049) 1.325 ======================= Grid point 200 (97/129) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.678 2.516 -0.307) 3.040 1.332 ( 3.340 -0.904 1.513) 3.777 1.448 ( 3.167 0.113 6.143) 6.912 1.622 ( 2.452 -0.827 -0.848) 2.723 1.844 ( -0.962 -1.134 -2.323) 2.758 1.902 ( 0.167 1.898 1.782) 2.609 1.945 ( -0.535 -1.875 -3.928) 4.386 1.971 ( -0.348 -0.473 3.658) 3.705 2.246 ( -0.592 -0.155 -1.254) 1.396 2.370 ( -3.658 1.003 -1.674) 4.146 2.435 ( -1.580 -6.927 2.248) 7.452 2.636 ( 6.957 7.520 -5.056) 11.424 3.221 ( 9.756 -12.255 -2.189) 15.816 3.462 ( -1.224 -1.325 6.595) 6.837 4.099 ( 0.746 -0.727 12.555) 12.598 4.340 ( 8.254 -4.666 -7.941) 12.368 4.542 ( 3.435 -1.898 1.895) 4.358 4.766 ( 0.202 -0.926 -8.425) 8.478 5.067 ( 0.657 -2.353 -2.415) 3.435 5.103 ( 2.891 -3.641 0.196) 4.653 5.334 ( -1.628 0.277 -1.440) 2.191 5.678 ( 2.064 1.347 1.570) 2.922 7.233 ( -6.737 6.205 8.673) 12.614 7.537 ( -1.900 1.841 -8.897) 9.282 8.910 ( -0.493 5.184 7.419) 9.064 9.159 ( -2.922 -2.166 -6.912) 7.810 9.911 ( 0.020 1.128 1.360) 1.767 10.210 ( 0.517 -2.205 -1.513) 2.724 10.564 ( 3.044 -1.676 0.694) 3.544 10.586 ( 1.429 -0.907 0.341) 1.727 13.194 ( -0.651 0.090 1.859) 1.972 13.259 ( 0.223 0.408 -2.351) 2.397 13.362 ( -0.668 -0.849 3.062) 3.247 13.478 ( 1.849 0.203 -3.627) 4.076 13.946 ( -0.127 -1.032 0.669) 1.237 13.985 ( 0.421 0.729 -0.849) 1.196 ======================= Grid point 201 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.065 -1.015 0.350) 1.512 1.365 ( 0.415 0.580 -0.023) 0.713 1.480 ( -0.826 0.923 7.105) 7.212 1.648 ( -1.918 -0.987 1.158) 2.449 1.813 ( -0.958 1.113 -0.098) 1.472 1.886 ( 1.187 2.049 1.303) 2.703 1.947 ( -0.283 0.571 -1.240) 1.394 2.004 ( -0.139 -2.955 -0.494) 2.999 2.244 ( -1.011 -1.149 1.365) 2.051 2.297 ( -3.473 0.255 0.461) 3.513 2.514 ( -1.210 -6.444 0.725) 6.596 2.609 ( 6.025 8.584 -6.270) 12.219 3.358 ( -5.555 5.705 7.451) 10.905 3.496 ( 5.136 -5.867 -3.464) 8.532 4.173 ( 1.380 -2.023 5.379) 5.910 4.452 ( -0.043 1.004 -4.158) 4.278 4.602 ( 2.047 -0.480 2.411) 3.199 4.684 ( -2.796 2.536 -5.686) 6.825 5.074 ( -0.926 0.218 -0.764) 1.220 5.167 ( 1.493 -0.381 -1.315) 2.026 5.321 ( -0.523 0.133 0.034) 0.540 5.698 ( 0.906 -1.560 -1.365) 2.262 7.118 ( -3.048 2.567 11.232) 11.918 7.516 ( 2.805 -2.702 -11.258) 11.913 8.893 ( 2.028 1.940 6.219) 6.823 9.134 ( -2.616 -3.654 -6.833) 8.179 9.905 ( 0.677 1.172 1.515) 2.031 10.221 ( 0.466 1.019 -0.681) 1.311 10.568 ( -3.323 0.128 4.179) 5.340 10.644 ( 2.850 -0.883 -3.597) 4.673 13.192 ( -0.260 -0.049 1.822) 1.841 13.250 ( 0.350 0.448 -2.057) 2.134 13.370 ( -1.031 -0.686 3.205) 3.436 13.484 ( 1.158 0.758 -3.640) 3.894 13.961 ( -0.102 -1.003 0.606) 1.176 13.975 ( 0.256 0.971 -0.884) 1.338 ======================= Grid point 202 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -3.313 -3.519 0.834) 4.905 1.335 ( -3.112 0.324 -0.298) 3.143 1.456 ( -2.925 0.954 7.423) 8.035 1.581 ( -7.091 0.401 2.168) 7.426 1.784 ( -0.416 2.927 4.019) 4.989 1.878 ( 1.128 2.837 1.286) 3.313 1.939 ( 0.242 -1.401 -2.243) 2.655 2.039 ( 0.354 -2.749 -2.178) 3.525 2.222 ( -2.093 0.835 0.145) 2.258 2.287 ( -1.458 -1.984 6.644) 7.085 2.547 ( 3.913 7.422 -7.668) 11.367 2.581 ( -1.228 -4.666 0.388) 4.841 3.165 ( -5.851 9.211 3.802) 11.555 3.553 ( -1.483 3.062 -2.873) 4.453 4.121 ( -8.955 6.950 12.195) 16.650 4.349 ( -1.536 -0.459 -10.648) 10.768 4.590 ( -2.115 3.076 -1.462) 4.009 4.651 ( -0.448 1.314 1.453) 2.010 5.027 ( -2.442 2.662 1.077) 3.769 5.148 ( -0.399 3.135 -3.826) 4.962 5.313 ( 0.743 0.392 0.811) 1.168 5.736 ( -0.561 -3.824 -4.178) 5.692 7.152 ( 2.593 -2.722 12.245) 12.810 7.616 ( 5.888 -5.757 -12.303) 14.805 8.952 ( 3.633 -0.970 5.453) 6.624 9.143 ( -1.478 -5.491 -7.397) 9.330 9.910 ( 1.417 1.148 1.576) 2.411 10.192 ( 0.389 4.344 0.313) 4.373 10.503 ( -5.425 0.474 3.689) 6.577 10.656 ( -0.164 0.634 -3.577) 3.636 13.197 ( -0.012 -0.145 2.134) 2.139 13.246 ( 0.687 0.402 -1.955) 2.111 13.369 ( -1.331 -0.592 3.267) 3.577 13.471 ( 0.402 1.255 -3.598) 3.832 13.963 ( 0.369 0.910 -1.144) 1.507 13.971 ( -0.397 -0.651 0.619) 0.982 ======================= Grid point 203 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -5.860 -3.788 2.317) 7.352 1.262 ( -6.664 -0.551 -0.193) 6.690 1.398 ( -7.295 0.620 11.668) 13.775 1.470 ( -2.941 1.932 -1.312) 3.755 1.773 ( 2.503 1.571 4.177) 5.117 1.859 ( 2.530 3.394 -0.010) 4.233 1.971 ( 0.177 -2.590 -0.823) 2.723 2.071 ( 0.826 -0.984 -2.979) 3.244 2.176 ( -4.967 -1.060 3.186) 5.995 2.299 ( -2.053 0.398 3.340) 3.941 2.491 ( -0.239 0.665 -0.377) 0.801 2.620 ( 0.348 -2.511 -3.275) 4.142 2.977 ( -0.344 10.452 -2.707) 10.802 3.289 ( -12.019 16.423 3.334) 20.623 3.990 ( -4.596 -0.687 13.357) 14.142 4.302 ( -4.019 -1.104 -9.318) 10.207 4.478 ( -3.478 5.792 -0.868) 6.811 4.575 ( -3.450 4.569 0.028) 5.725 4.944 ( -2.617 3.488 2.166) 4.869 5.059 ( -0.911 5.198 -5.385) 7.540 5.348 ( 2.383 -0.911 1.706) 3.069 5.744 ( -2.687 -3.076 -6.321) 7.526 7.322 ( 5.609 -5.306 12.315) 14.535 7.752 ( 5.623 -5.503 -12.919) 15.126 9.046 ( 2.582 -2.036 6.358) 7.158 9.200 ( 0.983 -6.945 -9.582) 11.875 9.929 ( 2.278 0.862 1.323) 2.772 10.111 ( -1.144 6.488 1.509) 6.759 10.427 ( -4.591 0.089 3.361) 5.691 10.603 ( -2.647 1.920 -3.354) 4.684 13.205 ( -0.190 -0.055 2.723) 2.730 13.249 ( 1.066 0.239 -2.208) 2.463 13.367 ( -1.222 -0.721 3.079) 3.391 13.443 ( 0.011 1.474 -3.474) 3.774 13.957 ( 0.649 0.585 -1.453) 1.695 13.970 ( -0.779 -0.238 0.679) 1.060 ======================= Grid point 204 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -6.471 -3.181 4.813) 8.669 1.137 ( -7.083 0.346 1.021) 7.164 1.317 ( -7.872 -0.543 16.018) 17.856 1.450 ( 4.775 1.635 -6.854) 8.512 1.844 ( 4.224 -0.742 5.751) 7.174 1.889 ( 7.840 1.716 -4.542) 9.222 1.992 ( -3.248 -1.437 3.555) 5.025 2.067 ( 0.784 2.304 -2.589) 3.553 2.092 ( -9.906 -2.577 4.499) 11.181 2.207 ( -6.003 1.771 -3.889) 7.369 2.543 ( 0.957 -4.069 5.227) 6.693 2.641 ( 0.018 -0.744 -3.416) 3.496 2.838 ( 2.948 11.220 -2.795) 11.933 2.934 ( -5.956 9.381 3.143) 11.548 4.017 ( -2.173 -3.612 9.907) 10.767 4.207 ( -5.094 -0.643 -4.196) 6.631 4.325 ( -3.719 7.309 2.883) 8.693 4.455 ( -2.326 4.005 -4.443) 6.418 4.876 ( -1.790 2.174 2.374) 3.683 4.970 ( 0.594 3.642 -6.503) 7.477 5.414 ( 3.509 -0.749 3.229) 4.827 5.699 ( -4.320 -1.529 -7.526) 8.811 7.504 ( 3.694 -3.400 13.144) 14.071 7.853 ( 3.788 -3.664 -13.988) 14.948 9.115 ( -0.027 -2.035 6.600) 6.906 9.280 ( 1.908 -4.120 -10.178) 11.145 9.963 ( 2.434 0.355 0.726) 2.564 10.012 ( -1.435 4.058 1.935) 4.719 10.381 ( -2.084 0.620 3.943) 4.503 10.516 ( -3.165 1.673 -3.267) 4.847 13.209 ( -0.469 0.044 2.988) 3.024 13.258 ( 1.156 0.047 -2.530) 2.782 13.369 ( -1.113 -0.664 2.761) 3.050 13.415 ( 0.383 1.102 -3.288) 3.489 13.958 ( 0.031 0.098 -0.529) 0.539 13.959 ( -0.123 0.124 -0.384) 0.422 ======================= Grid point 206 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 3.623 -0.000 10.800) 11.392 1.202 ( 9.474 -0.000 2.029) 9.689 1.415 ( 6.432 -0.000 -0.671) 6.467 1.555 ( -2.404 0.000 -0.368) 2.432 1.689 ( 0.324 -0.000 -1.623) 1.654 1.863 ( -3.259 0.000 -2.961) 4.403 2.022 ( 0.035 -0.000 2.840) 2.840 2.053 ( -0.182 0.000 -2.779) 2.785 2.238 ( 5.729 -0.000 2.447) 6.230 2.319 ( 3.496 -0.000 -3.167) 4.717 2.533 ( -3.725 0.000 5.456) 6.606 2.593 ( 2.842 -0.000 7.171) 7.714 2.851 ( 11.167 -0.000 -5.772) 12.571 3.048 ( 7.843 -0.000 -5.801) 9.755 4.104 ( -0.613 0.000 15.282) 15.294 4.209 ( 6.217 -0.000 -3.643) 7.206 4.449 ( 6.880 -0.000 -7.384) 10.092 4.505 ( 7.851 -0.000 -4.142) 8.876 4.911 ( 3.932 -0.000 0.940) 4.043 4.962 ( 1.894 -0.000 -5.231) 5.563 5.430 ( -3.285 0.000 -6.009) 6.848 5.663 ( 3.288 -0.000 5.845) 6.706 7.542 ( -8.061 0.000 14.653) 16.724 7.681 ( -5.904 0.000 -14.438) 15.599 9.113 ( -3.388 0.000 9.523) 10.108 9.175 ( -5.335 0.000 -5.591) 7.728 9.961 ( -1.078 0.000 -0.623) 1.245 10.062 ( 5.232 -0.000 -3.670) 6.391 10.481 ( 2.663 -0.000 5.320) 5.949 10.492 ( 4.128 -0.000 -3.098) 5.161 13.203 ( -0.759 0.000 2.193) 2.320 13.271 ( 0.661 -0.000 -3.432) 3.496 13.341 ( -0.870 0.000 3.129) 3.248 13.454 ( 2.352 -0.000 -3.085) 3.879 13.925 ( -0.544 0.000 0.691) 0.879 13.992 ( 0.961 -0.000 -1.127) 1.481 ======================= Grid point 207 (103/129) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.383 3.449 3.907) 7.493 1.322 ( 6.375 0.906 1.733) 6.668 1.461 ( 1.734 1.172 0.339) 2.120 1.566 ( -0.081 -2.906 0.287) 2.922 1.721 ( 0.676 -4.661 -2.871) 5.516 1.839 ( -0.392 -2.199 -3.685) 4.309 2.010 ( 0.540 3.852 -1.120) 4.048 2.041 ( 2.197 1.981 2.728) 4.025 2.282 ( -1.474 -0.270 0.280) 1.525 2.325 ( 0.597 -1.100 -2.777) 3.046 2.448 ( -1.944 5.435 5.304) 7.839 2.807 ( 10.097 -5.800 -0.403) 11.651 2.950 ( 13.010 5.487 -1.162) 14.167 3.283 ( 7.731 -10.673 -0.588) 13.192 4.129 ( -0.447 1.600 16.388) 16.472 4.300 ( 8.700 0.918 -8.393) 12.123 4.521 ( 6.984 1.288 -2.139) 7.417 4.652 ( 4.526 -5.793 -7.644) 10.605 4.997 ( 2.362 -1.876 -2.114) 3.683 5.008 ( 5.561 -2.320 0.013) 6.026 5.363 ( -2.238 1.243 -4.695) 5.348 5.711 ( 1.186 0.572 4.949) 5.121 7.398 ( -9.665 5.011 10.148) 14.884 7.550 ( -6.755 -1.282 -9.884) 12.040 9.030 ( -5.717 3.132 4.286) 7.802 9.097 ( -5.495 -1.986 0.337) 5.852 9.946 ( 0.711 0.864 -1.356) 1.758 10.155 ( 5.910 -1.271 -4.097) 7.303 10.534 ( 2.456 -0.367 3.828) 4.562 10.560 ( 3.543 -0.765 -1.001) 3.760 13.197 ( -0.641 0.106 1.754) 1.870 13.269 ( 0.541 0.237 -3.305) 3.358 13.343 ( -0.542 -0.414 3.650) 3.713 13.482 ( 2.447 0.065 -3.749) 4.477 13.924 ( -0.155 -0.422 0.626) 0.771 14.000 ( 0.714 0.298 -0.870) 1.164 ======================= Grid point 208 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.216 6.447 1.964) 6.743 1.382 ( 0.590 1.341 -1.600) 2.169 1.482 ( 1.075 -1.153 3.678) 4.002 1.596 ( -1.069 -2.392 -0.158) 2.624 1.782 ( -1.638 -3.792 -0.489) 4.159 1.879 ( 1.917 -3.253 -4.660) 5.998 1.958 ( 1.089 4.448 -0.713) 4.635 2.069 ( 4.429 3.765 3.658) 6.868 2.246 ( -1.017 0.739 0.160) 1.267 2.344 ( -0.981 1.684 1.171) 2.274 2.391 ( 1.235 -0.099 1.920) 2.285 2.896 ( 10.614 9.833 -7.186) 16.155 3.222 ( 11.452 -9.963 -1.321) 15.237 3.444 ( -0.613 -1.898 5.962) 6.286 4.165 ( 1.941 1.114 13.218) 13.406 4.424 ( 9.955 -0.851 -9.012) 13.455 4.603 ( 4.332 0.449 0.798) 4.427 4.720 ( 0.078 -1.709 -8.390) 8.563 5.062 ( 2.667 -1.425 -0.622) 3.087 5.128 ( 5.209 -1.864 -0.515) 5.556 5.300 ( -1.996 0.529 -2.112) 2.953 5.712 ( -1.210 1.084 2.724) 3.172 7.212 ( -8.229 4.068 8.641) 12.607 7.449 ( -5.091 -2.433 -8.299) 10.035 8.924 ( -4.853 0.498 1.541) 5.116 9.046 ( -5.438 -2.555 1.945) 6.315 9.950 ( 2.544 1.783 -1.309) 3.371 10.240 ( 5.218 0.306 -3.190) 6.124 10.569 ( -1.196 -0.190 5.171) 5.311 10.620 ( 3.621 -0.610 -2.594) 4.496 13.193 ( -0.273 0.111 1.535) 1.563 13.262 ( 0.502 0.403 -2.883) 2.954 13.353 ( -0.583 -0.469 3.830) 3.902 13.501 ( 1.932 0.439 -4.280) 4.716 13.935 ( 0.247 -0.729 0.507) 0.922 13.999 ( 0.375 0.672 -0.722) 1.056 ======================= Grid point 209 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -2.594 3.867 2.214) 5.156 1.320 ( -6.282 -1.378 -1.851) 6.692 1.500 ( -1.438 1.924 5.516) 6.016 1.589 ( -1.427 0.631 -0.359) 1.601 1.796 ( -0.665 -2.316 0.425) 2.447 1.923 ( 1.385 1.438 -3.069) 3.661 1.934 ( 1.125 -0.505 -0.752) 1.444 2.064 ( 1.498 4.417 2.064) 5.101 2.255 ( 2.208 0.897 2.441) 3.411 2.294 ( 0.461 4.113 4.243) 5.927 2.458 ( 2.111 -3.681 -0.937) 4.345 2.862 ( 7.076 12.630 -6.510) 15.873 3.372 ( -3.837 4.056 4.883) 7.418 3.488 ( 5.190 -5.565 -1.346) 7.727 4.226 ( 3.376 1.752 5.532) 6.714 4.485 ( -0.246 5.618 -4.389) 7.134 4.646 ( 1.846 -0.283 1.731) 2.546 4.673 ( 0.270 2.641 -6.224) 6.766 5.090 ( 1.213 1.835 0.780) 2.334 5.201 ( 3.200 0.553 -2.462) 4.075 5.295 ( -0.446 -2.094 0.002) 2.141 5.671 ( -2.782 -0.124 -0.321) 2.803 7.110 ( -4.387 -0.159 11.114) 11.949 7.435 ( -0.444 -6.444 -10.613) 12.424 8.886 ( -2.360 -3.115 -0.403) 3.929 9.015 ( -4.900 -3.883 2.304) 6.663 9.965 ( 3.919 2.789 -1.048) 4.923 10.290 ( 4.659 2.500 -2.156) 5.710 10.531 ( -4.405 1.288 5.017) 6.799 10.661 ( 1.453 -0.249 -2.898) 3.251 13.196 ( 0.102 0.017 1.609) 1.612 13.257 ( 0.652 0.394 -2.576) 2.686 13.359 ( -0.901 -0.216 4.049) 4.154 13.502 ( 1.110 0.930 -4.564) 4.788 13.952 ( 0.294 -0.653 0.405) 0.823 13.990 ( 0.171 0.901 -0.773) 1.199 ======================= Grid point 210 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -5.611 -0.157 0.501) 5.635 1.233 ( -7.914 -2.338 -0.250) 8.256 1.424 ( -5.668 2.636 8.948) 10.915 1.540 ( 0.265 3.703 -2.526) 4.490 1.829 ( 0.937 -0.822 2.529) 2.820 1.915 ( 1.152 1.475 -0.475) 1.931 1.941 ( 0.676 0.867 -0.997) 1.484 2.048 ( 1.300 0.795 -0.901) 1.771 2.241 ( 1.427 5.328 3.304) 6.430 2.307 ( 1.927 0.895 6.421) 6.763 2.534 ( 1.541 -3.233 -2.078) 4.141 2.715 ( -0.388 12.923 -4.382) 13.651 3.258 ( 0.604 8.270 1.022) 8.355 3.551 ( -1.819 1.505 -1.786) 2.960 4.157 ( -6.731 10.635 11.662) 17.158 4.333 ( -0.144 4.759 -8.973) 10.158 4.623 ( 1.023 4.170 -5.501) 6.978 4.663 ( -1.616 1.283 3.749) 4.279 5.063 ( 0.091 4.250 2.414) 4.889 5.194 ( 1.426 4.076 -4.631) 6.332 5.320 ( 0.849 -1.379 0.866) 1.836 5.643 ( -3.280 -3.320 -3.657) 5.929 7.159 ( 0.904 -5.505 11.896) 13.139 7.534 ( 2.223 -9.437 -11.699) 15.194 8.934 ( -0.041 -5.870 0.563) 5.897 9.018 ( -3.251 -5.589 -0.216) 6.469 9.989 ( 4.956 3.433 -0.855) 6.089 10.288 ( 1.654 5.541 -1.028) 5.873 10.447 ( -4.355 1.283 4.829) 6.628 10.648 ( -1.202 1.078 -3.092) 3.488 13.204 ( 0.138 -0.035 2.017) 2.022 13.256 ( 0.839 0.276 -2.532) 2.682 13.357 ( -1.020 -0.034 4.246) 4.366 13.483 ( 0.443 1.347 -4.677) 4.888 13.962 ( -0.056 -0.280 0.444) 0.528 13.977 ( 0.220 0.838 -1.008) 1.329 ======================= Grid point 211 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -3.989 -2.686 1.244) 4.967 1.118 ( -9.341 -1.576 0.228) 9.476 1.337 ( -4.220 3.018 12.107) 13.172 1.503 ( 2.516 2.184 -6.663) 7.450 1.858 ( 2.320 1.096 5.001) 5.621 1.929 ( 0.755 -0.868 1.702) 2.055 1.946 ( 2.048 0.209 -2.112) 2.949 2.047 ( -1.501 0.434 -1.303) 2.035 2.191 ( 1.838 6.420 2.362) 7.084 2.325 ( 0.140 4.404 4.050) 5.985 2.516 ( -2.728 4.805 -0.429) 5.542 2.587 ( 0.465 -2.003 -3.902) 4.411 3.171 ( 5.433 10.975 -3.322) 12.689 3.334 ( -10.430 14.036 2.458) 17.659 3.990 ( -3.384 3.899 14.023) 14.943 4.244 ( -1.750 3.564 -7.458) 8.449 4.534 ( -2.654 6.673 2.441) 7.585 4.597 ( 0.336 4.681 -5.189) 6.996 4.994 ( -0.558 5.726 3.376) 6.671 5.117 ( 0.534 5.932 -6.453) 8.781 5.378 ( 2.909 -1.751 2.631) 4.295 5.622 ( -3.984 -3.688 -6.212) 8.250 7.333 ( 2.837 -8.149 11.984) 14.768 7.665 ( 1.824 -9.267 -12.593) 15.742 9.006 ( -3.713 -5.699 8.694) 11.038 9.099 ( 3.625 -7.760 -9.679) 12.925 10.020 ( 5.539 3.614 -0.841) 6.667 10.167 ( -5.102 6.334 1.572) 8.283 10.417 ( 0.870 1.782 3.392) 3.929 10.579 ( -2.955 2.306 -2.987) 4.793 13.210 ( -0.273 0.055 2.593) 2.607 13.260 ( 0.928 0.092 -2.686) 2.844 13.357 ( -0.765 -0.094 4.065) 4.137 13.454 ( 0.263 1.482 -4.535) 4.779 13.960 ( -0.485 0.107 0.595) 0.775 13.969 ( 0.463 0.523 -1.290) 1.467 ======================= Grid point 212 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.852 -1.695 6.567) 7.358 1.073 ( 2.013 -2.300 -2.727) 4.097 1.278 ( -3.586 2.067 14.354) 14.938 1.522 ( 4.998 -0.028 -10.184) 11.344 1.908 ( -2.106 -0.341 6.852) 7.176 1.931 ( -2.209 3.361 5.495) 6.810 1.984 ( -0.761 -2.949 -1.375) 3.342 1.997 ( 3.695 -0.915 -1.280) 4.016 2.154 ( 4.196 6.070 -1.570) 7.545 2.182 ( -1.885 7.812 -4.949) 9.438 2.519 ( -0.363 -2.806 4.847) 5.613 2.609 ( -0.033 -2.441 -4.006) 4.691 2.972 ( -8.495 14.061 7.757) 18.167 3.103 ( 7.210 12.013 -5.647) 15.105 3.989 ( -0.804 -1.239 11.509) 11.603 4.157 ( -0.660 1.936 -5.529) 5.895 4.395 ( -2.867 6.678 5.124) 8.892 4.529 ( 4.331 7.326 -7.871) 11.593 4.923 ( 0.044 4.999 3.159) 5.914 5.026 ( 1.046 5.232 -7.405) 9.128 5.468 ( 3.592 -1.904 4.497) 6.062 5.579 ( -3.958 -2.177 -7.336) 8.615 7.500 ( -0.578 -6.647 12.922) 14.543 7.762 ( 0.604 -7.251 -13.709) 15.521 9.051 ( -3.687 -5.774 8.265) 10.734 9.227 ( 3.520 -4.906 -9.797) 11.508 10.015 ( -5.102 3.196 2.501) 6.519 10.050 ( 4.807 3.757 -0.989) 6.181 10.422 ( 1.932 2.718 3.859) 5.100 10.492 ( -1.992 2.125 -3.249) 4.363 13.210 ( -0.631 0.074 2.796) 2.867 13.266 ( 0.837 -0.049 -2.806) 2.929 13.358 ( -0.798 -0.041 3.351) 3.445 13.430 ( 0.861 1.082 -3.891) 4.129 13.949 ( -0.727 0.306 0.712) 1.062 13.970 ( 0.758 0.158 -1.431) 1.627 ======================= Grid point 215 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -2.027 0.000 -0.793) 2.177 1.430 ( 7.188 -0.000 2.129) 7.497 1.444 ( -3.525 0.000 0.540) 3.566 1.542 ( 1.210 -0.000 -2.445) 2.728 1.686 ( 0.353 -0.000 -0.155) 0.385 1.827 ( 2.234 -0.000 -5.550) 5.983 2.090 ( 3.998 -0.000 -2.855) 4.913 2.113 ( 4.864 -0.000 2.547) 5.491 2.242 ( -2.289 0.000 1.975) 3.023 2.292 ( -0.567 0.000 -3.645) 3.689 2.517 ( 1.345 -0.000 4.497) 4.694 2.928 ( 11.585 -0.000 2.560) 11.864 3.266 ( 11.568 -0.000 1.990) 11.738 3.270 ( 6.736 -0.000 -2.440) 7.165 4.189 ( 0.603 -0.000 16.467) 16.478 4.427 ( 10.122 -0.000 -10.764) 14.776 4.633 ( 2.323 -0.000 -4.332) 4.916 4.644 ( 6.188 -0.000 -4.519) 7.662 5.027 ( 3.357 -0.000 0.868) 3.467 5.095 ( 7.276 -0.000 -1.070) 7.354 5.334 ( -1.036 0.000 -5.081) 5.186 5.723 ( -2.145 0.000 4.842) 5.296 7.310 ( -11.965 0.000 16.065) 20.031 7.380 ( -6.443 0.000 -15.625) 16.901 8.939 ( -6.170 0.000 -6.450) 8.926 8.997 ( -8.437 0.000 11.569) 14.319 9.981 ( 3.729 -0.000 -2.130) 4.294 10.242 ( 7.012 -0.000 -4.588) 8.380 10.563 ( 0.022 -0.000 5.485) 5.485 10.612 ( 3.462 -0.000 -1.845) 3.923 13.195 ( -0.314 0.000 1.429) 1.463 13.269 ( 0.611 -0.000 -3.583) 3.635 13.346 ( -0.394 0.000 4.438) 4.455 13.507 ( 2.239 -0.000 -4.536) 5.058 13.924 ( 0.387 -0.000 0.461) 0.602 14.009 ( 0.427 -0.000 -0.660) 0.786 ======================= Grid point 216 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -6.235 1.678 0.518) 6.477 1.305 ( -8.823 2.376 -0.028) 9.138 1.549 ( 3.865 1.376 -0.321) 4.115 1.582 ( 4.222 -1.075 -2.459) 5.003 1.708 ( -1.269 -2.960 1.425) 3.522 1.861 ( 2.163 -1.932 -5.665) 6.364 2.070 ( 1.995 6.482 -0.400) 6.794 2.160 ( -0.438 1.625 0.726) 1.833 2.265 ( 4.854 -0.118 0.668) 4.901 2.337 ( 3.373 -3.864 -2.184) 5.574 2.519 ( 4.616 7.529 4.869) 10.085 3.111 ( 8.483 0.989 -3.240) 9.134 3.311 ( 6.011 0.489 0.405) 6.044 3.437 ( 1.545 -1.578 5.592) 6.012 4.265 ( 4.152 0.689 12.654) 13.335 4.553 ( 9.445 0.793 -9.217) 13.221 4.650 ( 0.698 -0.254 -1.553) 1.722 4.711 ( 4.022 0.167 -6.251) 7.435 5.100 ( 3.797 -1.155 1.960) 4.426 5.206 ( 6.284 0.145 -1.607) 6.488 5.288 ( -0.623 2.027 -3.924) 4.460 5.679 ( -5.031 -0.152 3.304) 6.021 7.144 ( -10.030 2.338 11.447) 15.398 7.281 ( -5.329 -4.336 -10.868) 12.858 8.834 ( -4.555 -0.230 -4.726) 6.568 8.911 ( -8.744 -3.100 8.357) 12.486 10.040 ( 5.837 1.844 -1.703) 6.354 10.331 ( 6.282 0.602 -3.699) 7.315 10.560 ( -2.455 0.602 5.133) 5.721 10.650 ( 1.718 -0.326 -1.780) 2.495 13.197 ( 0.049 0.037 1.325) 1.327 13.266 ( 0.609 0.200 -3.349) 3.409 13.355 ( -0.432 -0.070 4.728) 4.749 13.520 ( 1.521 0.348 -5.123) 5.355 13.938 ( 0.857 -0.270 0.234) 0.928 14.009 ( 0.055 0.371 -0.518) 0.640 ======================= Grid point 217 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -8.164 4.087 1.715) 9.290 1.159 ( -8.502 -2.226 -0.880) 8.832 1.529 ( -1.039 3.774 3.877) 5.509 1.635 ( 3.323 2.007 -4.787) 6.163 1.746 ( 0.099 -3.510 0.773) 3.596 1.898 ( 0.407 -2.383 -4.897) 5.461 2.020 ( 2.459 4.967 0.564) 5.571 2.107 ( -1.749 2.463 0.580) 3.076 2.343 ( 4.738 1.302 1.563) 5.156 2.440 ( 3.566 -2.919 -1.465) 4.836 2.498 ( 7.194 10.766 5.437) 14.044 3.079 ( -0.198 11.051 -2.157) 11.261 3.381 ( 0.971 -0.358 0.502) 1.151 3.497 ( 2.280 -2.586 3.123) 4.651 4.349 ( 4.721 3.622 6.181) 8.580 4.565 ( 0.076 7.407 -4.166) 8.499 4.654 ( 0.912 -0.336 -0.115) 0.979 4.730 ( 2.986 2.997 -5.698) 7.097 5.162 ( 2.977 2.206 2.276) 4.349 5.241 ( 2.232 -0.718 -1.919) 3.030 5.295 ( 3.115 1.100 -2.845) 4.360 5.595 ( -6.519 -0.581 0.577) 6.570 7.046 ( -6.187 -2.258 12.753) 14.353 7.279 ( -1.191 -7.944 -12.077) 14.504 8.792 ( -2.719 -3.411 -1.054) 4.488 8.866 ( -6.220 -5.080 2.847) 8.521 10.097 ( 6.802 3.635 -1.133) 7.795 10.396 ( 5.235 2.084 -3.041) 6.403 10.495 ( -5.211 1.977 5.624) 7.918 10.660 ( -0.330 -0.157 -2.339) 2.368 13.203 ( 0.210 -0.013 1.486) 1.501 13.263 ( 0.630 0.191 -3.051) 3.121 13.361 ( -0.575 0.203 4.950) 4.987 13.514 ( 0.778 0.783 -5.424) 5.535 13.956 ( 0.816 -0.141 0.106) 0.834 13.999 ( -0.179 0.603 -0.530) 0.823 ======================= Grid point 218 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -4.445 1.461 0.482) 4.704 1.059 ( -8.042 -2.092 -0.338) 8.317 1.466 ( -0.799 4.894 6.650) 8.295 1.603 ( 1.134 4.450 -5.393) 7.084 1.804 ( 0.381 -3.343 1.475) 3.673 1.909 ( -0.792 -1.966 -4.752) 5.203 2.001 ( 1.768 3.774 1.839) 4.555 2.067 ( 0.182 1.170 -0.692) 1.371 2.384 ( 2.607 1.967 3.780) 4.995 2.477 ( 7.329 10.904 4.511) 13.891 2.511 ( 2.660 -0.725 -1.507) 3.142 2.836 ( -6.432 13.237 -1.643) 14.809 3.392 ( 3.999 4.329 0.138) 5.895 3.527 ( -2.781 0.428 0.044) 2.814 4.265 ( -5.111 12.462 11.721) 17.855 4.418 ( 1.413 8.666 -7.007) 11.233 4.661 ( -2.436 1.789 4.130) 5.118 4.700 ( 4.323 3.601 -8.212) 9.954 5.152 ( 1.399 4.941 3.222) 6.063 5.268 ( 1.681 4.493 -4.582) 6.634 5.322 ( 2.974 -2.133 0.030) 3.660 5.519 ( -5.386 -3.180 -3.068) 6.967 7.098 ( -1.883 -7.902 13.261) 15.551 7.378 ( 1.497 -10.361 -13.051) 16.731 8.818 ( -5.828 -6.872 8.788) 12.586 8.897 ( 2.344 -6.232 -8.598) 10.874 10.145 ( 7.009 4.719 -0.660) 8.475 10.334 ( -5.883 5.282 1.263) 8.007 10.465 ( 2.810 1.431 2.587) 4.079 10.626 ( -2.187 0.912 -2.873) 3.724 13.211 ( -0.043 -0.020 1.947) 1.947 13.262 ( 0.608 0.056 -2.899) 2.963 13.363 ( -0.509 0.436 5.067) 5.111 13.492 ( 0.359 1.151 -5.528) 5.659 13.965 ( 0.363 0.242 0.230) 0.493 13.985 ( -0.159 0.560 -0.714) 0.921 ======================= Grid point 219 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -1.525 -0.844 2.899) 3.382 1.002 ( 2.099 -1.813 -2.937) 4.039 1.407 ( -0.426 5.790 7.711) 9.652 1.545 ( 1.274 2.768 -6.748) 7.404 1.852 ( -0.691 -2.942 3.074) 4.311 1.914 ( -0.401 -2.200 -3.009) 3.749 1.990 ( 1.058 1.586 2.552) 3.185 2.043 ( -0.425 2.393 -3.063) 3.910 2.391 ( 2.806 6.423 4.839) 8.517 2.452 ( 4.962 7.933 1.390) 9.460 2.522 ( -2.644 3.782 -1.176) 4.762 2.571 ( -2.067 5.770 -3.633) 7.124 3.351 ( -5.778 9.001 3.019) 11.114 3.398 ( 2.929 8.272 -1.453) 8.895 4.068 ( -3.755 8.134 16.029) 18.363 4.302 ( 1.252 8.171 -7.263) 11.004 4.564 ( -3.855 4.947 4.572) 7.761 4.703 ( 5.842 4.699 -9.608) 12.187 5.092 ( 0.274 6.448 3.756) 7.467 5.190 ( 0.369 5.788 -6.254) 8.530 5.399 ( 0.911 -2.780 3.902) 4.876 5.499 ( -0.871 -3.288 -6.632) 7.453 7.251 ( -1.563 -10.489 12.815) 16.634 7.509 ( 1.962 -9.958 -13.504) 16.892 8.852 ( -5.954 -7.817 9.331) 13.551 9.045 ( 6.668 -7.315 -10.377) 14.340 10.143 ( -7.112 5.381 3.183) 9.469 10.186 ( 5.555 5.421 -0.806) 7.803 10.496 ( 3.197 2.278 2.482) 4.644 10.554 ( -2.776 1.992 -3.123) 4.629 13.212 ( -0.594 0.066 2.414) 2.487 13.263 ( 0.557 -0.116 -2.718) 2.777 13.365 ( -0.357 0.495 4.673) 4.713 13.464 ( 0.490 1.232 -5.289) 5.453 13.962 ( -0.118 0.594 0.504) 0.788 13.976 ( 0.102 0.258 -0.963) 1.002 ======================= Grid point 220 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.661 -2.064 0.911) 5.178 1.135 ( 8.772 -1.672 -1.003) 8.986 1.341 ( -0.643 5.299 10.101) 11.425 1.541 ( 2.730 -0.802 -7.792) 8.295 1.882 ( -1.588 -1.244 3.850) 4.347 1.920 ( -2.025 -0.573 -1.698) 2.705 1.977 ( -0.342 1.662 -1.906) 2.552 2.001 ( -0.071 0.246 2.243) 2.258 2.276 ( -0.245 8.160 -5.474) 9.829 2.362 ( 4.388 9.831 -1.321) 10.846 2.494 ( -0.760 -0.874 5.394) 5.517 2.558 ( 0.086 -1.952 -3.514) 4.021 3.084 ( -4.278 14.147 5.473) 15.760 3.359 ( 5.723 9.182 -0.060) 10.820 4.019 ( -0.941 1.499 14.463) 14.571 4.207 ( 2.855 5.754 -7.554) 9.916 4.462 ( -0.677 5.429 3.711) 6.611 4.696 ( 6.359 5.905 -8.677) 12.272 5.022 ( 0.945 6.045 3.323) 6.962 5.094 ( 0.412 5.536 -6.742) 8.733 5.428 ( -3.426 -3.606 -1.289) 5.138 5.552 ( 4.405 -1.296 -0.447) 4.613 7.378 ( -5.018 -9.175 11.121) 15.265 7.622 ( 0.747 -7.817 -11.938) 14.290 8.914 ( -3.703 -8.008 8.426) 12.200 9.195 ( 4.250 -4.287 -9.884) 11.582 9.978 ( -5.695 2.899 3.315) 7.199 10.190 ( 3.686 5.527 -0.669) 6.677 10.483 ( -0.123 2.403 -1.960) 3.103 10.520 ( 2.563 2.177 1.894) 3.860 13.207 ( -0.875 0.019 2.471) 2.621 13.265 ( 0.429 -0.213 -2.558) 2.603 13.363 ( -0.582 0.658 3.567) 3.674 13.448 ( 1.297 0.787 -4.273) 4.534 13.950 ( -0.389 0.755 0.702) 1.102 13.977 ( 0.466 -0.119 -1.098) 1.199 ======================= Grid point 224 (115/129) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -8.642 0.000 -2.127) 8.900 1.196 ( -9.452 0.000 2.726) 9.837 1.587 ( -1.012 0.000 3.833) 3.965 1.653 ( 5.199 -0.000 -5.811) 7.797 1.686 ( 1.275 -0.000 0.088) 1.278 1.855 ( 0.853 -0.000 -5.087) 5.158 2.133 ( -0.769 0.000 -0.342) 0.842 2.148 ( -1.248 0.000 2.089) 2.433 2.364 ( 5.976 -0.000 -0.270) 5.982 2.364 ( 4.612 -0.000 -1.762) 4.937 2.707 ( 10.043 -0.000 0.647) 10.063 3.221 ( 5.046 -0.000 -1.648) 5.309 3.335 ( -1.518 0.000 2.918) 3.289 3.478 ( 0.446 -0.000 5.914) 5.931 4.393 ( 6.838 -0.000 9.310) 11.551 4.654 ( 0.960 -0.000 -0.996) 1.383 4.656 ( 3.598 -0.000 -2.983) 4.674 4.777 ( 7.197 -0.000 -10.484) 12.716 5.155 ( 3.589 -0.000 1.984) 4.101 5.296 ( 1.168 -0.000 -4.159) 4.320 5.301 ( 5.169 -0.000 -1.919) 5.514 5.579 ( -8.177 0.000 3.430) 8.867 7.030 ( -11.646 0.000 16.816) 20.455 7.146 ( -1.236 0.000 -16.233) 16.280 8.761 ( -10.054 0.000 11.816) 15.514 8.770 ( -0.793 0.000 -9.552) 9.585 10.154 ( 7.028 -0.000 -0.724) 7.065 10.421 ( 5.772 -0.000 -3.094) 6.549 10.530 ( -4.214 0.000 4.471) 6.144 10.653 ( -0.343 0.000 -1.535) 1.573 13.203 ( 0.194 -0.000 1.290) 1.304 13.266 ( 0.515 -0.000 -3.306) 3.346 13.364 ( -0.328 0.000 5.169) 5.179 13.525 ( 0.870 -0.000 -5.631) 5.698 13.954 ( 1.227 -0.000 -0.071) 1.229 14.008 ( -0.333 0.000 -0.324) 0.465 ======================= Grid point 225 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.382 -0.229 -1.913) 4.787 1.046 ( -7.581 2.036 2.470) 8.229 1.557 ( -2.883 1.292 7.357) 8.007 1.687 ( 2.667 1.241 -7.202) 7.780 1.731 ( 2.474 -1.308 -0.206) 2.805 1.850 ( -1.104 -1.503 -4.393) 4.773 2.111 ( 0.226 1.585 0.359) 1.641 2.114 ( -0.409 3.196 1.493) 3.551 2.424 ( 2.960 0.456 -0.090) 2.996 2.441 ( 2.096 -1.585 -0.142) 2.632 2.818 ( 11.873 8.905 0.347) 14.845 3.135 ( -7.791 6.583 0.837) 10.234 3.410 ( 5.512 -2.524 -0.762) 6.110 3.482 ( -2.511 -1.284 5.152) 5.873 4.495 ( 4.388 3.752 5.388) 7.898 4.638 ( -0.872 4.130 -1.458) 4.466 4.677 ( 2.181 0.110 0.853) 2.344 4.808 ( 2.501 3.726 -8.247) 9.388 5.238 ( 5.398 -0.253 0.747) 5.456 5.289 ( 2.629 2.186 -1.708) 3.822 5.350 ( 1.632 0.425 -2.540) 3.049 5.460 ( -8.332 -1.014 1.079) 8.462 6.933 ( -8.476 -3.259 15.924) 18.332 7.146 ( 2.560 -5.031 -15.373) 16.377 8.671 ( -8.019 -3.008 11.042) 13.975 8.772 ( 2.718 -2.397 -10.348) 10.964 10.248 ( 6.712 2.133 0.440) 7.056 10.444 ( -5.999 2.222 2.515) 6.874 10.493 ( 4.461 0.602 -0.336) 4.514 10.632 ( -1.726 -0.236 -2.270) 2.862 13.210 ( 0.073 -0.023 1.482) 1.484 13.263 ( 0.370 0.012 -3.047) 3.070 13.374 ( -0.310 0.259 5.410) 5.425 13.514 ( 0.384 0.410 -5.831) 5.858 13.971 ( 1.045 0.149 -0.165) 1.068 13.997 ( -0.587 0.243 -0.260) 0.687 ======================= Grid point 226 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -1.940 1.145 1.887) 2.938 0.991 ( 2.656 0.658 -2.343) 3.603 1.519 ( -1.865 2.014 7.849) 8.316 1.658 ( 0.808 3.604 -6.436) 7.420 1.781 ( 0.431 -1.655 1.719) 2.425 1.845 ( -0.896 -2.548 -4.433) 5.191 2.062 ( -0.935 3.199 2.401) 4.108 2.102 ( 1.550 2.095 -1.645) 3.082 2.442 ( 0.506 0.860 1.877) 2.126 2.469 ( -1.025 -1.502 -0.822) 1.996 2.826 ( 2.649 12.129 3.319) 12.850 2.894 ( -0.686 11.064 -3.519) 11.630 3.449 ( -4.141 -0.135 4.292) 5.965 3.510 ( 3.546 -0.034 -1.876) 4.012 4.399 ( -4.757 12.455 10.300) 16.848 4.540 ( 1.116 7.166 -3.481) 8.045 4.669 ( -2.066 2.737 3.043) 4.585 4.792 ( 4.665 1.738 -9.695) 10.898 5.247 ( 0.803 3.938 3.230) 5.156 5.321 ( -0.624 3.176 -3.975) 5.126 5.327 ( -4.346 -1.762 2.923) 5.526 5.416 ( 4.833 -2.201 -5.862) 7.910 6.965 ( -4.714 -8.905 14.763) 17.874 7.254 ( 4.963 -7.499 -14.697) 17.230 8.656 ( -5.857 -5.509 10.304) 13.070 8.865 ( 6.759 -4.918 -11.040) 13.848 10.283 ( -4.729 4.188 3.653) 7.297 10.319 ( 2.032 3.522 0.708) 4.127 10.543 ( 3.308 1.170 0.718) 3.582 10.592 ( -1.756 0.615 -3.481) 3.947 13.213 ( -0.362 0.021 1.902) 1.937 13.260 ( 0.251 -0.127 -2.794) 2.808 13.381 ( -0.258 0.526 5.455) 5.486 13.492 ( 0.241 0.739 -5.836) 5.887 13.979 ( 0.547 0.542 0.063) 0.772 13.983 ( -0.579 0.217 -0.397) 0.735 ======================= Grid point 227 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 5.105 0.718 0.558) 5.186 1.082 ( 8.708 -1.223 -2.165) 9.056 1.485 ( -0.983 3.080 6.305) 7.086 1.587 ( 0.087 4.092 -4.861) 6.355 1.807 ( -1.048 -2.651 1.922) 3.438 1.865 ( -0.298 -2.294 -1.520) 2.768 2.014 ( -1.089 2.043 0.827) 2.458 2.079 ( 0.691 2.872 -2.404) 3.809 2.436 ( -2.042 -0.635 0.944) 2.338 2.462 ( -1.023 -1.431 0.244) 1.776 2.573 ( -6.563 11.105 -3.927) 13.484 2.811 ( 5.843 14.715 0.532) 15.842 3.361 ( -4.395 3.876 2.962) 6.566 3.521 ( 1.264 3.327 0.767) 3.641 4.184 ( -4.113 10.368 14.811) 18.541 4.442 ( 2.473 9.046 -5.329) 10.786 4.599 ( -1.162 4.135 2.456) 4.948 4.799 ( 2.778 1.504 -9.311) 9.832 5.187 ( -0.790 5.284 2.593) 5.938 5.235 ( -2.093 3.916 -3.841) 5.871 5.313 ( -2.518 -4.121 0.552) 4.861 5.523 ( 6.657 -0.447 -3.347) 7.464 7.088 ( -3.867 -10.895 12.688) 17.164 7.396 ( 4.821 -7.375 -13.442) 16.073 8.700 ( -3.072 -6.623 8.928) 11.533 9.036 ( 8.264 -6.188 -10.876) 14.996 10.100 ( -8.360 5.111 3.734) 10.486 10.325 ( 1.783 3.688 1.683) 4.429 10.542 ( 0.480 1.732 -4.390) 4.743 10.576 ( 2.144 1.758 1.929) 3.377 13.209 ( -0.842 0.120 2.186) 2.346 13.258 ( 0.182 -0.304 -2.429) 2.455 13.383 ( -0.356 0.744 4.886) 4.955 13.470 ( 0.606 0.728 -5.374) 5.457 13.973 ( -0.227 0.154 -0.400) 0.485 13.975 ( 0.030 0.660 0.179) 0.684 ======================= Grid point 228 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 7.100 0.282 -1.845) 7.341 1.239 ( 7.351 -2.293 -0.569) 7.721 1.434 ( -0.798 4.554 7.954) 9.200 1.567 ( 3.748 0.142 -4.001) 5.484 1.841 ( -0.552 -3.114 1.686) 3.584 1.875 ( -1.467 -1.470 0.241) 2.091 1.976 ( -0.650 1.148 -2.677) 2.985 2.036 ( -0.398 3.486 0.434) 3.535 2.335 ( -3.896 7.347 -5.000) 9.703 2.406 ( -2.338 -0.949 -2.721) 3.711 2.499 ( 1.400 -2.646 0.217) 3.002 2.634 ( -2.894 12.788 3.321) 13.525 3.265 ( 4.007 9.363 0.249) 10.188 3.486 ( -1.032 2.310 4.838) 5.460 4.093 ( -0.485 4.661 13.362) 14.160 4.353 ( 4.875 8.364 -6.959) 11.922 4.544 ( 0.933 4.096 2.484) 4.881 4.789 ( 1.417 0.770 -8.257) 8.413 5.115 ( -0.350 4.046 0.259) 4.070 5.142 ( -0.640 4.123 -2.444) 4.836 5.338 ( -1.023 -2.626 -0.938) 2.970 5.611 ( 4.668 -0.352 -0.599) 4.719 7.194 ( -5.242 -8.905 10.229) 14.541 7.510 ( 2.224 -5.633 -11.070) 12.618 8.797 ( -0.267 -6.968 7.963) 10.584 9.180 ( 4.151 -2.908 -10.248) 11.433 9.943 ( -4.957 2.550 3.748) 6.717 10.273 ( -1.780 3.619 0.639) 4.084 10.536 ( 3.947 2.369 -3.736) 5.928 10.584 ( 0.920 1.546 2.851) 3.372 13.200 ( -0.918 0.050 2.135) 2.325 13.258 ( 0.103 -0.366 -2.184) 2.217 13.376 ( -0.636 0.963 3.499) 3.685 13.464 ( 1.356 0.258 -4.090) 4.317 13.961 ( -0.155 1.071 0.658) 1.267 13.974 ( 0.138 -0.478 -0.826) 0.965 ======================= Grid point 233 (120/129) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -3.228 -0.000 1.690) 3.644 1.006 ( 3.594 -0.000 -1.487) 3.890 1.539 ( -3.029 -0.000 9.317) 9.797 1.707 ( 1.304 -0.000 -7.207) 7.324 1.765 ( 2.292 -0.000 0.123) 2.296 1.798 ( -2.334 -0.000 -3.838) 4.492 2.123 ( 0.343 -0.000 1.319) 1.363 2.138 ( -0.280 0.000 0.299) 0.410 2.442 ( -0.163 -0.000 0.953) 0.966 2.455 ( -0.450 -0.000 -0.333) 0.560 3.033 ( -11.028 -0.000 2.043) 11.216 3.066 ( 10.700 -0.000 -1.550) 10.812 3.430 ( -4.204 -0.000 3.686) 5.591 3.479 ( 5.772 -0.000 -1.294) 5.916 4.594 ( 2.011 -0.000 3.253) 3.824 4.644 ( -1.183 -0.000 -1.512) 1.920 4.725 ( 1.849 -0.000 1.874) 2.633 4.804 ( -3.302 -0.000 -6.223) 7.045 5.267 ( -7.848 -0.000 4.319) 8.958 5.331 ( 1.153 -0.000 2.247) 2.525 5.373 ( 9.759 -0.000 -6.255) 11.591 5.386 ( -2.008 -0.000 -3.142) 3.728 6.826 ( -6.989 -0.000 16.310) 17.744 7.140 ( 6.877 -0.000 -15.749) 17.185 8.575 ( -5.323 -0.000 10.874) 12.107 8.794 ( 6.312 -0.000 -11.463) 13.086 10.355 ( 3.876 0.000 2.976) 4.886 10.360 ( -7.712 -0.000 3.247) 8.367 10.563 ( 3.894 -0.000 -1.037) 4.030 10.595 ( -1.156 -0.000 -3.580) 3.762 13.214 ( -0.210 -0.000 1.660) 1.674 13.257 ( 0.090 -0.000 -2.827) 2.828 13.389 ( -0.255 -0.000 5.664) 5.670 13.503 ( 0.148 -0.000 -5.892) 5.894 13.987 ( -0.864 -0.000 -0.132) 0.874 13.987 ( 0.826 -0.000 -0.187) 0.847 ======================= Grid point 235 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.203 0.192 1.548) 4.483 1.092 ( 8.316 1.239 -2.170) 8.683 1.525 ( -2.055 0.374 8.598) 8.848 1.675 ( -1.910 1.452 -4.005) 4.669 1.760 ( -0.714 -0.468 -2.592) 2.729 1.804 ( 0.338 -1.877 -0.559) 1.988 2.100 ( -0.492 3.340 1.232) 3.594 2.140 ( 1.055 0.961 -0.863) 1.668 2.418 ( -3.600 -0.337 0.578) 3.662 2.431 ( -2.738 -0.959 0.839) 3.020 2.825 ( -9.527 5.545 -0.213) 11.025 3.142 ( 5.559 7.008 -0.148) 8.946 3.377 ( -4.054 -0.365 2.706) 4.888 3.557 ( 3.048 -0.423 -2.286) 3.833 4.502 ( -6.672 9.891 7.512) 14.099 4.612 ( -0.234 2.385 -1.714) 2.946 4.688 ( -0.719 2.321 -0.027) 2.430 4.774 ( -3.091 -3.310 -5.071) 6.799 5.210 ( -2.258 -1.970 1.681) 3.436 5.304 ( -2.693 2.619 1.432) 4.020 5.320 ( -2.898 1.546 -2.576) 4.174 5.522 ( 9.853 0.002 -4.889) 10.999 6.837 ( -3.042 -5.586 15.390) 16.652 7.245 ( 8.952 -3.012 -15.101) 17.812 8.570 ( -1.633 -2.414 9.716) 10.144 8.900 ( 9.000 -2.848 -11.724) 15.052 10.221 ( -8.608 2.784 3.335) 9.642 10.380 ( -1.685 0.475 4.678) 4.995 10.583 ( 2.351 1.048 -5.016) 5.638 10.608 ( 2.260 0.464 -0.128) 2.310 13.213 ( -0.593 0.105 2.011) 2.099 13.250 ( -0.060 -0.193 -2.571) 2.579 13.399 ( -0.342 0.328 5.696) 5.716 13.485 ( 0.142 0.278 -5.755) 5.764 13.972 ( -0.850 -0.024 -0.263) 0.890 13.994 ( 0.393 0.413 0.090) 0.577 ======================= Grid point 236 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 9.454 0.228 1.508) 9.576 1.198 ( 7.397 0.963 -3.037) 8.054 1.509 ( -1.724 1.153 6.314) 6.646 1.605 ( -1.847 1.320 -2.464) 3.351 1.766 ( 0.022 -1.825 -0.612) 1.925 1.826 ( -1.474 -2.208 1.419) 3.010 2.035 ( -1.190 3.733 -0.803) 3.999 2.124 ( 0.728 2.847 -1.152) 3.156 2.368 ( -4.115 -1.375 -0.695) 4.394 2.406 ( -3.595 -2.369 2.000) 4.747 2.604 ( -4.898 8.072 -5.177) 10.768 3.023 ( -4.617 12.244 3.298) 13.495 3.343 ( -2.309 -0.863 4.146) 4.823 3.553 ( -0.403 1.959 -2.462) 3.172 4.296 ( -4.655 8.045 10.889) 14.317 4.552 ( -0.265 4.143 -3.674) 5.544 4.644 ( -1.002 2.496 -0.078) 2.691 4.746 ( -3.236 -2.527 -4.869) 6.369 5.204 ( -3.822 2.809 -1.504) 4.976 5.211 ( -1.918 0.266 1.244) 2.301 5.272 ( -0.550 -1.158 -1.218) 1.768 5.638 ( 7.610 1.537 -3.672) 8.589 6.950 ( -1.163 -7.537 13.798) 15.766 7.385 ( 8.493 -3.033 -14.144) 16.774 8.643 ( 1.796 -3.697 8.199) 9.171 9.066 ( 9.212 -4.244 -11.577) 15.391 10.047 ( -8.085 4.025 3.951) 9.858 10.331 ( -4.747 0.574 3.539) 5.949 10.599 ( 3.973 1.888 -4.858) 6.554 10.620 ( 0.295 0.974 1.541) 1.847 13.204 ( -0.845 0.263 2.131) 2.307 13.247 ( -0.051 -0.426 -2.140) 2.182 13.401 ( -0.673 0.730 4.878) 4.978 13.469 ( 0.500 0.110 -4.956) 4.982 13.962 ( -0.500 -0.335 -0.564) 0.825 13.989 ( 0.013 0.815 0.450) 0.931 ======================= Grid point 237 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 2.667 4.811 -2.137) 5.902 1.302 ( 5.641 -2.451 -0.067) 6.151 1.470 ( -2.605 1.092 7.778) 8.275 1.619 ( 3.672 -1.242 -2.129) 4.423 1.803 ( 0.510 -2.173 -0.528) 2.294 1.831 ( -1.732 -2.377 3.625) 4.668 1.973 ( -0.958 1.594 -2.941) 3.480 2.081 ( -0.604 3.733 0.165) 3.785 2.315 ( -4.264 0.145 -2.877) 5.146 2.357 ( -3.550 2.361 0.122) 4.265 2.485 ( 1.482 -0.713 -5.479) 5.720 2.733 ( -8.782 12.414 6.134) 16.397 3.345 ( -4.143 -3.852 6.897) 8.920 3.514 ( 2.299 3.892 -3.314) 5.605 4.199 ( -0.621 5.168 7.925) 9.481 4.483 ( 0.198 3.226 -4.742) 5.739 4.599 ( -0.541 1.851 2.043) 2.809 4.715 ( -3.300 -2.501 -5.079) 6.553 5.116 ( -2.762 1.371 -1.751) 3.546 5.173 ( -0.762 1.107 0.381) 1.396 5.304 ( 0.288 -2.462 -0.932) 2.648 5.693 ( 4.413 2.579 -2.522) 5.700 7.063 ( -1.764 -5.613 12.272) 13.610 7.492 ( 6.227 -0.946 -12.751) 14.222 8.771 ( 3.897 -4.177 7.187) 9.181 9.184 ( 3.904 -0.788 -10.765) 11.478 9.915 ( -3.836 1.720 4.035) 5.827 10.254 ( -4.177 0.673 1.569) 4.513 10.602 ( -1.697 0.830 3.042) 3.581 10.621 ( 3.694 1.621 -4.272) 5.876 13.195 ( -0.679 0.203 2.028) 2.149 13.247 ( 0.055 -0.463 -1.890) 1.947 13.388 ( -0.982 0.946 3.346) 3.613 13.470 ( 0.946 -0.379 -3.586) 3.728 13.963 ( -0.017 -0.738 -0.812) 1.097 13.976 ( -0.184 1.038 0.642) 1.234 ======================= Grid point 243 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 8.357 -0.000 1.702) 8.528 1.239 ( 8.889 -0.000 -1.651) 9.041 1.524 ( -1.608 0.000 6.883) 7.068 1.617 ( -4.731 0.000 -0.993) 4.834 1.748 ( 0.493 -0.000 -4.782) 4.807 1.776 ( -2.369 0.000 2.603) 3.519 2.129 ( -0.516 0.000 0.666) 0.842 2.169 ( 2.408 -0.000 -0.557) 2.471 2.343 ( -5.805 0.000 0.444) 5.822 2.351 ( -5.683 0.000 1.088) 5.786 2.726 ( -7.047 0.000 -1.133) 7.137 3.194 ( -4.010 0.000 1.166) 4.176 3.351 ( -1.292 0.000 1.108) 1.702 3.574 ( -0.323 0.000 -3.718) 3.732 4.433 ( -16.294 0.000 14.793) 22.007 4.576 ( -2.037 0.000 -7.830) 8.091 4.654 ( -2.552 0.000 -2.051) 3.274 4.734 ( 1.323 -0.000 -1.574) 2.056 5.201 ( 0.712 -0.000 -2.465) 2.566 5.260 ( -3.853 0.000 -0.454) 3.879 5.264 ( -5.222 0.000 1.845) 5.538 5.658 ( 8.714 -0.000 -4.773) 9.935 6.835 ( 1.636 -0.000 15.485) 15.571 7.343 ( 11.181 -0.000 -15.069) 18.764 8.593 ( 2.786 -0.000 8.526) 8.970 8.997 ( 10.482 -0.000 -12.212) 16.094 10.115 ( -8.602 0.000 3.389) 9.246 10.330 ( -5.843 0.000 5.195) 7.818 10.628 ( 3.503 -0.000 -4.766) 5.915 10.634 ( 0.410 -0.000 0.339) 0.532 13.210 ( -0.733 0.000 2.398) 2.508 13.239 ( -0.145 0.000 -2.426) 2.430 13.412 ( -0.622 0.000 5.774) 5.807 13.470 ( 0.071 -0.000 -5.576) 5.576 13.957 ( -0.784 0.000 -0.435) 0.897 14.001 ( 0.056 -0.000 0.327) 0.332 ======================= Grid point 244 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 8.356 -1.143 1.897) 8.645 1.326 ( 4.619 3.735 -0.635) 5.974 1.499 ( -3.760 1.189 4.247) 5.796 1.559 ( -2.022 -2.366 -0.679) 3.186 1.748 ( 0.269 -1.430 -0.550) 1.556 1.759 ( -3.018 -2.259 2.147) 4.339 2.071 ( -2.192 4.603 -0.486) 5.121 2.171 ( -0.204 2.885 -0.285) 2.907 2.276 ( -4.166 -1.387 -0.421) 4.411 2.307 ( -2.611 -4.176 1.129) 5.053 2.613 ( -2.659 3.944 -4.656) 6.656 3.052 ( -9.040 7.634 2.855) 12.172 3.277 ( -7.736 1.576 3.668) 8.706 3.529 ( -3.818 -2.842 -3.865) 6.132 4.246 ( -12.911 -1.804 17.392) 21.736 4.513 ( -1.993 0.767 -10.333) 10.551 4.620 ( -1.631 -0.245 0.014) 1.649 4.720 ( -1.218 1.597 -3.418) 3.965 5.139 ( -5.525 0.230 -1.655) 5.772 5.184 ( -4.983 -0.563 0.501) 5.040 5.255 ( 1.835 0.160 -0.323) 1.871 5.755 ( 6.077 1.060 -4.610) 7.701 6.952 ( 4.192 -2.004 14.696) 15.413 7.479 ( 11.058 -0.194 -14.624) 18.335 8.697 ( 5.907 -1.148 7.005) 9.235 9.138 ( 9.702 -1.546 -12.374) 15.800 9.982 ( -7.085 2.072 4.181) 8.483 10.249 ( -6.594 -0.635 4.464) 7.989 10.621 ( -1.937 0.443 1.162) 2.302 10.654 ( 2.170 0.604 -4.340) 4.890 13.203 ( -0.719 0.311 2.474) 2.595 13.234 ( 0.045 -0.383 -2.015) 2.051 13.412 ( -1.076 0.630 4.794) 4.954 13.458 ( 0.175 -0.390 -4.613) 4.633 13.948 ( -0.354 -0.312 -0.789) 0.919 13.998 ( -0.275 0.433 0.590) 0.782 ======================= Grid point 245 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.460 6.228 -0.946) 6.763 1.350 ( 1.835 0.124 0.881) 2.039 1.451 ( -2.235 -0.879 7.407) 7.787 1.605 ( -0.230 -4.030 -1.052) 4.172 1.755 ( -2.768 -3.034 3.366) 5.310 1.803 ( 2.161 -3.093 0.409) 3.795 1.979 ( -1.176 2.949 -2.466) 4.020 2.111 ( -1.949 2.740 -0.590) 3.414 2.244 ( -2.133 -0.731 0.014) 2.255 2.331 ( -1.318 -0.676 1.549) 2.143 2.507 ( 0.644 4.420 -7.973) 9.139 2.753 ( -10.491 9.739 6.947) 15.911 3.170 ( -9.522 -5.555 4.258) 11.818 3.533 ( -1.907 -4.587 -3.274) 5.950 4.160 ( -10.363 -3.917 14.716) 18.420 4.432 ( -1.394 2.097 -11.930) 12.192 4.606 ( -1.867 -0.234 2.904) 3.460 4.655 ( -2.641 -0.446 -3.395) 4.324 5.057 ( -4.568 -0.894 -0.224) 4.660 5.142 ( -2.499 -2.107 -1.819) 3.741 5.284 ( 1.466 -0.713 -0.102) 1.633 5.783 ( 2.658 2.914 -4.465) 5.958 7.079 ( 3.883 -0.212 13.481) 14.031 7.587 ( 9.239 1.922 -13.651) 16.595 8.839 ( 6.696 -1.408 6.109) 9.173 9.218 ( 3.838 1.845 -11.383) 12.154 9.896 ( -2.228 0.596 4.241) 4.827 10.182 ( -4.778 -1.758 2.692) 5.759 10.571 ( -4.166 0.410 2.378) 4.815 10.659 ( 0.888 0.143 -4.050) 4.149 13.197 ( -0.396 0.312 2.283) 2.338 13.237 ( 0.336 -0.464 -1.718) 1.811 13.392 ( -1.338 0.921 3.113) 3.512 13.460 ( 0.286 -0.952 -3.174) 3.326 13.951 ( 0.148 -0.703 -1.069) 1.288 13.986 ( -0.464 0.691 0.694) 1.084 ======================= Grid point 252 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 2.949 -0.000 1.308) 3.226 1.403 ( -0.525 0.000 6.116) 6.139 1.461 ( -4.505 0.000 4.914) 6.667 1.476 ( -2.743 0.000 -3.492) 4.441 1.721 ( -0.379 0.000 -3.391) 3.412 1.730 ( 0.218 -0.000 3.355) 3.363 2.057 ( -3.812 0.000 0.632) 3.864 2.139 ( -4.859 0.000 -0.321) 4.870 2.242 ( 0.169 -0.000 1.858) 1.866 2.280 ( 3.021 -0.000 -2.113) 3.687 2.607 ( 0.273 -0.000 -4.676) 4.684 2.973 ( -8.871 0.000 -1.831) 9.058 3.199 ( -9.253 0.000 4.918) 10.479 3.266 ( -19.200 0.000 1.989) 19.303 4.106 ( -8.514 0.000 19.105) 20.916 4.465 ( -1.637 0.000 -10.071) 10.203 4.587 ( -1.858 0.000 -0.839) 2.039 4.670 ( -5.179 0.000 -5.670) 7.679 5.048 ( -5.444 0.000 -1.257) 5.587 5.082 ( -5.651 0.000 0.154) 5.653 5.292 ( 2.011 -0.000 0.190) 2.020 5.822 ( 3.285 -0.000 -5.540) 6.441 7.084 ( 7.313 -0.000 14.559) 16.292 7.613 ( 11.162 -0.000 -14.649) 18.417 8.822 ( 7.924 -0.000 5.666) 9.741 9.239 ( 8.472 -0.000 -12.989) 15.508 9.915 ( -4.503 0.000 4.642) 6.467 10.148 ( -7.052 0.000 4.916) 8.596 10.581 ( -4.023 0.000 1.404) 4.261 10.658 ( -0.303 0.000 -4.190) 4.201 13.204 ( -0.640 0.000 3.019) 3.086 13.228 ( 0.505 -0.000 -2.116) 2.176 13.413 ( -1.480 0.000 5.052) 5.264 13.439 ( -0.025 0.000 -4.950) 4.950 13.940 ( 0.105 -0.000 -1.151) 1.156 13.996 ( -0.616 0.000 0.728) 0.953 ======================= Grid point 253 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -6.412 4.438 3.177) 8.420 1.360 ( -3.183 2.571 -0.552) 4.129 1.414 ( -3.318 -2.006 7.452) 8.401 1.503 ( -3.721 -5.091 2.037) 6.626 1.719 ( 1.544 -0.492 -0.729) 1.777 1.784 ( 1.491 -3.088 0.390) 3.451 1.999 ( -0.342 2.014 -0.717) 2.165 2.084 ( -2.081 -0.375 -1.386) 2.528 2.251 ( 0.468 1.956 2.498) 3.207 2.316 ( 0.122 -0.587 -0.651) 0.885 2.573 ( 0.867 6.398 -6.831) 9.400 2.726 ( -11.007 7.677 6.509) 14.915 2.952 ( -10.102 -4.136 -0.389) 10.923 3.240 ( -13.013 -16.725 3.972) 21.560 4.048 ( -5.735 1.345 15.909) 16.965 4.403 ( -1.997 0.506 -10.514) 10.714 4.532 ( -7.830 0.059 -1.780) 8.030 4.572 ( -3.029 -2.887 -1.601) 4.480 4.968 ( -4.581 -0.815 0.570) 4.688 5.039 ( -3.191 -3.864 -2.844) 5.762 5.319 ( 2.093 0.621 0.750) 2.308 5.819 ( -0.007 1.601 -6.165) 6.369 7.233 ( 7.202 2.131 13.667) 15.595 7.722 ( 9.372 1.742 -14.102) 17.022 8.961 ( 7.046 0.094 5.174) 8.742 9.281 ( 3.576 3.283 -12.003) 12.947 9.893 ( 0.134 -0.190 4.108) 4.115 10.079 ( -4.993 -2.843 3.640) 6.801 10.507 ( -5.458 0.482 2.269) 5.930 10.631 ( -1.922 -0.850 -3.901) 4.432 13.203 ( -0.391 0.180 2.901) 2.933 13.236 ( 0.885 -0.265 -1.945) 2.153 13.392 ( -1.455 0.979 3.001) 3.476 13.435 ( -0.154 -1.198 -3.179) 3.401 13.944 ( 0.531 -0.380 -1.410) 1.554 13.984 ( -0.829 0.267 0.754) 1.152 ======================= Grid point 261 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -6.660 0.000 2.954) 7.286 1.265 ( -10.411 0.000 6.912) 12.497 1.400 ( 1.580 -0.000 -4.827) 5.080 1.401 ( -6.330 0.000 10.023) 11.855 1.768 ( 6.142 -0.000 -5.807) 8.453 1.795 ( 1.941 -0.000 3.993) 4.440 2.013 ( 0.357 -0.000 0.389) 0.528 2.054 ( -0.755 0.000 -0.842) 1.131 2.268 ( -4.528 0.000 2.323) 5.089 2.287 ( -3.426 0.000 -2.626) 4.317 2.658 ( -10.331 0.000 8.640) 13.467 2.671 ( 1.912 -0.000 -3.106) 3.647 2.690 ( -5.955 0.000 -2.722) 6.548 2.947 ( -7.107 0.000 4.481) 8.402 4.053 ( -2.598 0.000 13.146) 13.400 4.322 ( -4.706 0.000 -5.295) 7.084 4.372 ( -9.934 0.000 -2.169) 10.168 4.489 ( -3.592 0.000 -3.029) 4.699 4.902 ( -3.609 0.000 1.146) 3.786 4.959 ( -1.083 0.000 -4.227) 4.364 5.364 ( 2.583 -0.000 1.831) 3.166 5.789 ( -2.585 0.000 -7.264) 7.710 7.405 ( 6.511 -0.000 13.664) 15.136 7.828 ( 7.580 -0.000 -14.444) 16.312 9.073 ( 4.487 -0.000 5.043) 6.751 9.319 ( 2.091 -0.000 -11.517) 11.705 9.926 ( 2.560 -0.000 2.996) 3.941 9.994 ( -3.428 0.000 3.236) 4.714 10.432 ( -5.252 0.000 3.052) 6.074 10.567 ( -3.366 0.000 -3.644) 4.961 13.206 ( -0.458 0.000 3.121) 3.154 13.245 ( 1.240 -0.000 -2.183) 2.510 13.389 ( -1.548 0.000 3.525) 3.850 13.412 ( 0.156 -0.000 -3.954) 3.957 13.948 ( 0.837 -0.000 -1.633) 1.835 13.973 ( -1.047 0.000 0.759) 1.294 =================== 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 3/16128 10.0 89.790 59.973 123.841 -0.000 -20.401 -0.000 3/16128 20.0 26.965 16.089 30.859 -0.000 -5.900 -0.000 3/16128 30.0 16.880 10.190 17.755 -0.000 -3.692 -0.000 3/16128 40.0 12.402 7.752 12.584 -0.000 -2.727 -0.000 3/16128 50.0 9.772 6.291 9.772 -0.000 -2.162 -0.000 3/16128 60.0 8.048 5.298 8.022 -0.000 -1.793 -0.000 3/16128 70.0 6.844 4.578 6.839 -0.000 -1.537 -0.000 3/16128 80.0 5.959 4.034 5.987 -0.000 -1.350 -0.000 3/16128 90.0 5.282 3.609 5.343 -0.000 -1.206 -0.000 3/16128 100.0 4.749 3.267 4.836 -0.000 -1.092 -0.000 3/16128 110.0 4.317 2.986 4.425 -0.000 -1.000 -0.000 3/16128 120.0 3.960 2.751 4.083 -0.000 -0.923 -0.000 3/16128 130.0 3.660 2.550 3.795 -0.000 -0.858 -0.000 3/16128 140.0 3.403 2.378 3.546 -0.000 -0.802 -0.000 3/16128 150.0 3.181 2.227 3.330 -0.000 -0.753 -0.000 3/16128 160.0 2.986 2.095 3.140 -0.000 -0.710 -0.000 3/16128 170.0 2.815 1.978 2.971 -0.000 -0.672 -0.000 3/16128 180.0 2.663 1.873 2.820 -0.000 -0.637 -0.000 3/16128 190.0 2.526 1.779 2.683 -0.000 -0.606 -0.000 3/16128 200.0 2.403 1.694 2.560 -0.000 -0.579 -0.000 3/16128 210.0 2.291 1.617 2.447 -0.000 -0.553 -0.000 3/16128 220.0 2.190 1.546 2.344 -0.000 -0.530 -0.000 3/16128 230.0 2.097 1.482 2.250 -0.000 -0.508 -0.000 3/16128 240.0 2.012 1.422 2.162 -0.000 -0.489 -0.000 3/16128 250.0 1.933 1.367 2.082 -0.000 -0.470 -0.000 3/16128 260.0 1.861 1.317 2.007 -0.000 -0.453 -0.000 3/16128 270.0 1.793 1.269 1.937 -0.000 -0.438 -0.000 3/16128 280.0 1.731 1.226 1.872 -0.000 -0.423 -0.000 3/16128 290.0 1.672 1.185 1.811 -0.000 -0.409 -0.000 3/16128 300.0 1.618 1.146 1.754 -0.000 -0.396 -0.000 3/16128 310.0 1.567 1.110 1.700 -0.000 -0.384 -0.000 3/16128 320.0 1.519 1.077 1.650 -0.000 -0.373 -0.000 3/16128 330.0 1.474 1.045 1.602 -0.000 -0.362 -0.000 3/16128 340.0 1.431 1.015 1.557 -0.000 -0.352 -0.000 3/16128 350.0 1.391 0.987 1.515 -0.000 -0.342 -0.000 3/16128 360.0 1.353 0.960 1.474 -0.000 -0.333 -0.000 3/16128 370.0 1.317 0.935 1.436 -0.000 -0.324 -0.000 3/16128 380.0 1.283 0.910 1.400 -0.000 -0.316 -0.000 3/16128 390.0 1.251 0.888 1.365 -0.000 -0.308 -0.000 3/16128 400.0 1.220 0.866 1.333 -0.000 -0.301 -0.000 3/16128 410.0 1.191 0.845 1.301 -0.000 -0.294 -0.000 3/16128 420.0 1.163 0.826 1.271 -0.000 -0.287 -0.000 3/16128 430.0 1.136 0.807 1.243 -0.000 -0.281 -0.000 3/16128 440.0 1.111 0.789 1.215 -0.000 -0.274 -0.000 3/16128 450.0 1.086 0.772 1.189 -0.000 -0.268 -0.000 3/16128 460.0 1.063 0.755 1.164 -0.000 -0.263 -0.000 3/16128 470.0 1.041 0.739 1.140 -0.000 -0.257 -0.000 3/16128 480.0 1.019 0.724 1.117 -0.000 -0.252 -0.000 3/16128 490.0 0.999 0.710 1.095 -0.000 -0.247 -0.000 3/16128 500.0 0.979 0.696 1.074 -0.000 -0.242 -0.000 3/16128 510.0 0.960 0.682 1.053 -0.000 -0.238 -0.000 3/16128 520.0 0.942 0.669 1.033 -0.000 -0.233 -0.000 3/16128 530.0 0.924 0.657 1.014 -0.000 -0.229 -0.000 3/16128 540.0 0.908 0.645 0.996 -0.000 -0.225 -0.000 3/16128 550.0 0.891 0.633 0.978 -0.000 -0.221 -0.000 3/16128 560.0 0.876 0.622 0.961 -0.000 -0.217 -0.000 3/16128 570.0 0.860 0.611 0.945 -0.000 -0.213 -0.000 3/16128 580.0 0.846 0.601 0.929 -0.000 -0.210 -0.000 3/16128 590.0 0.832 0.591 0.913 -0.000 -0.206 -0.000 3/16128 600.0 0.818 0.581 0.898 -0.000 -0.203 -0.000 3/16128 610.0 0.805 0.572 0.884 -0.000 -0.200 -0.000 3/16128 620.0 0.792 0.563 0.870 -0.000 -0.196 -0.000 3/16128 630.0 0.779 0.554 0.857 -0.000 -0.193 -0.000 3/16128 640.0 0.767 0.545 0.843 -0.000 -0.190 -0.000 3/16128 650.0 0.756 0.537 0.831 -0.000 -0.188 -0.000 3/16128 660.0 0.744 0.529 0.818 -0.000 -0.185 -0.000 3/16128 670.0 0.733 0.521 0.806 -0.000 -0.182 -0.000 3/16128 680.0 0.722 0.514 0.795 -0.000 -0.179 -0.000 3/16128 690.0 0.712 0.506 0.783 -0.000 -0.177 -0.000 3/16128 700.0 0.702 0.499 0.772 -0.000 -0.174 -0.000 3/16128 710.0 0.692 0.492 0.762 -0.000 -0.172 -0.000 3/16128 720.0 0.683 0.485 0.751 -0.000 -0.170 -0.000 3/16128 730.0 0.673 0.479 0.741 -0.000 -0.167 -0.000 3/16128 740.0 0.664 0.472 0.731 -0.000 -0.165 -0.000 3/16128 750.0 0.656 0.466 0.722 -0.000 -0.163 -0.000 3/16128 760.0 0.647 0.460 0.712 -0.000 -0.161 -0.000 3/16128 770.0 0.639 0.454 0.703 -0.000 -0.159 -0.000 3/16128 780.0 0.631 0.448 0.694 -0.000 -0.157 -0.000 3/16128 790.0 0.623 0.443 0.686 -0.000 -0.155 -0.000 3/16128 800.0 0.615 0.437 0.677 -0.000 -0.153 -0.000 3/16128 810.0 0.607 0.432 0.669 -0.000 -0.151 -0.000 3/16128 820.0 0.600 0.427 0.661 -0.000 -0.149 -0.000 3/16128 830.0 0.593 0.422 0.653 -0.000 -0.147 -0.000 3/16128 840.0 0.586 0.417 0.645 -0.000 -0.146 -0.000 3/16128 850.0 0.579 0.412 0.638 -0.000 -0.144 -0.000 3/16128 860.0 0.572 0.407 0.630 -0.000 -0.142 -0.000 3/16128 870.0 0.566 0.402 0.623 -0.000 -0.141 -0.000 3/16128 880.0 0.559 0.398 0.616 -0.000 -0.139 -0.000 3/16128 890.0 0.553 0.394 0.609 -0.000 -0.138 -0.000 3/16128 900.0 0.547 0.389 0.603 -0.000 -0.136 -0.000 3/16128 910.0 0.541 0.385 0.596 -0.000 -0.135 -0.000 3/16128 920.0 0.535 0.381 0.590 -0.000 -0.133 -0.000 3/16128 930.0 0.530 0.377 0.583 -0.000 -0.132 -0.000 3/16128 940.0 0.524 0.373 0.577 -0.000 -0.130 -0.000 3/16128 950.0 0.519 0.369 0.571 -0.000 -0.129 -0.000 3/16128 960.0 0.513 0.365 0.565 -0.000 -0.128 -0.000 3/16128 970.0 0.508 0.361 0.560 -0.000 -0.126 -0.000 3/16128 980.0 0.503 0.358 0.554 -0.000 -0.125 -0.000 3/16128 990.0 0.498 0.354 0.548 -0.000 -0.124 -0.000 3/16128 1000.0 0.493 0.351 0.543 -0.000 -0.123 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:59:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|