----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:26:04]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.488487310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): *1 Na 0.56975693734828 0.25000000000000 0.10403651764964 22.990 2 Na 0.43024306265172 0.75000000000000 0.89596348235036 22.990 *3 Na 0.82911928125951 0.75000000000000 0.94717920741452 22.990 4 Na 0.93024306265172 0.75000000000000 0.60403651764964 22.990 5 Na 0.32911928125951 0.75000000000000 0.55282079258548 22.990 6 Na 0.67088071874049 0.25000000000000 0.44717920741452 22.990 7 Na 0.17088071874049 0.25000000000000 0.05282079258548 22.990 8 Na 0.06975693734828 0.25000000000000 0.39596348235036 22.990 *9 B 0.63457084970497 0.25000000000000 0.74227317435371 10.811 10 B 0.13457084970497 0.25000000000000 0.75772682564629 10.811 11 B 0.36542915029503 0.75000000000000 0.25772682564629 10.811 12 B 0.86542915029503 0.75000000000000 0.24227317435371 10.811 *13 H 0.39443496382379 0.25000000000000 0.73418912222643 1.008 14 H 0.89443496382379 0.25000000000000 0.76581087777357 1.008 15 H 0.10556503617621 0.75000000000000 0.23418912222643 1.008 16 H 0.60556503617621 0.75000000000000 0.26581087777357 1.008 *17 O 0.50733070897988 0.75000000000000 0.33484869886869 15.999 *18 O 0.62856131604319 0.25000000000000 0.88042541654241 15.999 19 O 0.49266929102012 0.25000000000000 0.66515130113132 15.999 20 O 0.37143868395681 0.75000000000000 0.11957458345759 15.999 *21 O 0.77113583644102 0.25000000000000 0.66932680954680 15.999 22 O 0.99266929102012 0.25000000000000 0.83484869886868 15.999 23 O 0.22886416355898 0.75000000000000 0.33067319045320 15.999 24 O 0.12856131604320 0.25000000000000 0.61957458345759 15.999 25 O 0.72886416355898 0.75000000000000 0.16932680954680 15.999 26 O 0.87143868395681 0.75000000000000 0.38042541654241 15.999 27 O 0.00733070897988 0.75000000000000 0.16515130113131 15.999 28 O 0.27113583644102 0.25000000000000 0.83067319045320 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.488487310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): *1 Na 0.56975693734828 0.25000000000000 0.10403651764964 22.990 > 1 2 Na 0.43024306265172 0.75000000000000 0.89596348235036 22.990 > 2 *3 Na 0.82911928125951 0.75000000000000 0.94717920741452 22.990 > 3 4 Na 0.93024306265172 0.75000000000000 0.60403651764964 22.990 > 4 5 Na 0.32911928125951 0.75000000000000 0.55282079258548 22.990 > 5 6 Na 0.67088071874049 0.25000000000000 0.44717920741452 22.990 > 6 7 Na 0.17088071874049 0.25000000000000 0.05282079258548 22.990 > 7 8 Na 0.06975693734828 0.25000000000000 0.39596348235036 22.990 > 8 *9 B 0.63457084970497 0.25000000000000 0.74227317435371 10.811 > 9 10 B 0.13457084970497 0.25000000000000 0.75772682564629 10.811 > 10 11 B 0.36542915029503 0.75000000000000 0.25772682564629 10.811 > 11 12 B 0.86542915029503 0.75000000000000 0.24227317435371 10.811 > 12 *13 H 0.39443496382379 0.25000000000000 0.73418912222643 1.008 > 13 14 H 0.89443496382379 0.25000000000000 0.76581087777357 1.008 > 14 15 H 0.10556503617621 0.75000000000000 0.23418912222643 1.008 > 15 16 H 0.60556503617621 0.75000000000000 0.26581087777357 1.008 > 16 *17 O 0.50733070897988 0.75000000000000 0.33484869886869 15.999 > 17 *18 O 0.62856131604319 0.25000000000000 0.88042541654241 15.999 > 18 19 O 0.49266929102012 0.25000000000000 0.66515130113132 15.999 > 19 20 O 0.37143868395681 0.75000000000000 0.11957458345759 15.999 > 20 *21 O 0.77113583644102 0.25000000000000 0.66932680954680 15.999 > 21 22 O 0.99266929102012 0.25000000000000 0.83484869886868 15.999 > 22 23 O 0.22886416355898 0.75000000000000 0.33067319045320 15.999 > 23 24 O 0.12856131604320 0.25000000000000 0.61957458345759 15.999 > 24 25 O 0.72886416355898 0.75000000000000 0.16932680954680 15.999 > 25 26 O 0.87143868395681 0.75000000000000 0.38042541654241 15.999 > 26 27 O 0.00733070897988 0.75000000000000 0.16515130113131 15.999 > 27 28 O 0.27113583644102 0.25000000000000 0.83067319045320 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465461930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): *1 Na 0.56975693734828 0.08333333333333 0.10403651764964 22.990 > 1 2 Na 0.56975693734828 0.41666666666667 0.10403651764964 22.990 > 1 3 Na 0.56975693734828 0.75000000000000 0.10403651764964 22.990 > 1 4 Na 0.43024306265172 0.25000000000000 0.89596348235036 22.990 > 2 5 Na 0.43024306265172 0.58333333333333 0.89596348235036 22.990 > 2 6 Na 0.43024306265172 0.91666666666667 0.89596348235036 22.990 > 2 *7 Na 0.82911928125951 0.25000000000000 0.94717920741452 22.990 > 3 8 Na 0.82911928125951 0.58333333333333 0.94717920741452 22.990 > 3 9 Na 0.82911928125951 0.91666666666667 0.94717920741452 22.990 > 3 10 Na 0.93024306265172 0.25000000000000 0.60403651764964 22.990 > 4 11 Na 0.93024306265172 0.58333333333333 0.60403651764964 22.990 > 4 12 Na 0.93024306265172 0.91666666666667 0.60403651764964 22.990 > 4 13 Na 0.32911928125951 0.25000000000000 0.55282079258548 22.990 > 5 14 Na 0.32911928125951 0.58333333333333 0.55282079258548 22.990 > 5 15 Na 0.32911928125951 0.91666666666667 0.55282079258548 22.990 > 5 16 Na 0.67088071874049 0.08333333333333 0.44717920741452 22.990 > 6 17 Na 0.67088071874049 0.41666666666667 0.44717920741452 22.990 > 6 18 Na 0.67088071874049 0.75000000000000 0.44717920741452 22.990 > 6 19 Na 0.17088071874049 0.08333333333333 0.05282079258548 22.990 > 7 20 Na 0.17088071874049 0.41666666666667 0.05282079258548 22.990 > 7 21 Na 0.17088071874049 0.75000000000000 0.05282079258548 22.990 > 7 22 Na 0.06975693734828 0.08333333333333 0.39596348235036 22.990 > 8 23 Na 0.06975693734828 0.41666666666667 0.39596348235036 22.990 > 8 24 Na 0.06975693734828 0.75000000000000 0.39596348235036 22.990 > 8 *25 B 0.63457084970497 0.08333333333333 0.74227317435371 10.811 > 9 26 B 0.63457084970497 0.41666666666667 0.74227317435371 10.811 > 9 27 B 0.63457084970497 0.75000000000000 0.74227317435371 10.811 > 9 28 B 0.13457084970497 0.08333333333333 0.75772682564629 10.811 > 10 29 B 0.13457084970497 0.41666666666667 0.75772682564629 10.811 > 10 30 B 0.13457084970497 0.75000000000000 0.75772682564629 10.811 > 10 31 B 0.36542915029503 0.25000000000000 0.25772682564629 10.811 > 11 32 B 0.36542915029503 0.58333333333333 0.25772682564629 10.811 > 11 33 B 0.36542915029503 0.91666666666667 0.25772682564629 10.811 > 11 34 B 0.86542915029503 0.25000000000000 0.24227317435371 10.811 > 12 35 B 0.86542915029503 0.58333333333333 0.24227317435371 10.811 > 12 36 B 0.86542915029503 0.91666666666667 0.24227317435371 10.811 > 12 *37 H 0.39443496382379 0.08333333333333 0.73418912222643 1.008 > 13 38 H 0.39443496382379 0.41666666666667 0.73418912222643 1.008 > 13 39 H 0.39443496382379 0.75000000000000 0.73418912222643 1.008 > 13 40 H 0.89443496382379 0.08333333333333 0.76581087777357 1.008 > 14 41 H 0.89443496382379 0.41666666666667 0.76581087777357 1.008 > 14 42 H 0.89443496382379 0.75000000000000 0.76581087777357 1.008 > 14 43 H 0.10556503617621 0.25000000000000 0.23418912222643 1.008 > 15 44 H 0.10556503617621 0.58333333333333 0.23418912222643 1.008 > 15 45 H 0.10556503617621 0.91666666666667 0.23418912222643 1.008 > 15 46 H 0.60556503617621 0.25000000000000 0.26581087777357 1.008 > 16 47 H 0.60556503617621 0.58333333333333 0.26581087777357 1.008 > 16 48 H 0.60556503617621 0.91666666666667 0.26581087777357 1.008 > 16 *49 O 0.50733070897988 0.25000000000000 0.33484869886869 15.999 > 17 50 O 0.50733070897988 0.58333333333333 0.33484869886869 15.999 > 17 51 O 0.50733070897988 0.91666666666667 0.33484869886869 15.999 > 17 *52 O 0.62856131604319 0.08333333333333 0.88042541654241 15.999 > 18 53 O 0.62856131604319 0.41666666666667 0.88042541654241 15.999 > 18 54 O 0.62856131604319 0.75000000000000 0.88042541654241 15.999 > 18 55 O 0.49266929102012 0.08333333333333 0.66515130113132 15.999 > 19 56 O 0.49266929102012 0.41666666666667 0.66515130113132 15.999 > 19 57 O 0.49266929102012 0.75000000000000 0.66515130113132 15.999 > 19 58 O 0.37143868395681 0.25000000000000 0.11957458345759 15.999 > 20 59 O 0.37143868395681 0.58333333333333 0.11957458345759 15.999 > 20 60 O 0.37143868395681 0.91666666666667 0.11957458345759 15.999 > 20 *61 O 0.77113583644102 0.08333333333333 0.66932680954680 15.999 > 21 62 O 0.77113583644102 0.41666666666667 0.66932680954680 15.999 > 21 63 O 0.77113583644102 0.75000000000000 0.66932680954680 15.999 > 21 64 O 0.99266929102012 0.08333333333333 0.83484869886868 15.999 > 22 65 O 0.99266929102012 0.41666666666667 0.83484869886868 15.999 > 22 66 O 0.99266929102012 0.75000000000000 0.83484869886868 15.999 > 22 67 O 0.22886416355898 0.25000000000000 0.33067319045320 15.999 > 23 68 O 0.22886416355898 0.58333333333333 0.33067319045320 15.999 > 23 69 O 0.22886416355898 0.91666666666667 0.33067319045320 15.999 > 23 70 O 0.12856131604320 0.08333333333333 0.61957458345759 15.999 > 24 71 O 0.12856131604320 0.41666666666667 0.61957458345759 15.999 > 24 72 O 0.12856131604320 0.75000000000000 0.61957458345759 15.999 > 24 73 O 0.72886416355898 0.25000000000000 0.16932680954680 15.999 > 25 74 O 0.72886416355898 0.58333333333333 0.16932680954680 15.999 > 25 75 O 0.72886416355898 0.91666666666667 0.16932680954680 15.999 > 25 76 O 0.87143868395681 0.25000000000000 0.38042541654241 15.999 > 26 77 O 0.87143868395681 0.58333333333333 0.38042541654241 15.999 > 26 78 O 0.87143868395681 0.91666666666667 0.38042541654241 15.999 > 26 79 O 0.00733070897988 0.25000000000000 0.16515130113131 15.999 > 27 80 O 0.00733070897988 0.58333333333333 0.16515130113131 15.999 > 27 81 O 0.00733070897988 0.91666666666667 0.16515130113131 15.999 > 27 82 O 0.27113583644102 0.08333333333333 0.83067319045320 15.999 > 28 83 O 0.27113583644102 0.41666666666667 0.83067319045320 15.999 > 28 84 O 0.27113583644102 0.75000000000000 0.83067319045320 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6261070 0.0000000 0.0000000 0.0000000 2.1945451 0.0000000 0.0000000 0.0000000 2.4564960 -------------------------- Born effective charges -------------------------- 1 Na 0.9931387 0.0000000 -0.0108525 0.0000000 1.0634363 0.0000000 -0.0113765 0.0000000 1.0539303 2 Na 0.9931387 0.0000000 -0.0108525 0.0000000 1.0634363 0.0000000 -0.0113765 0.0000000 1.0539303 3 Na 1.0410846 0.0000000 0.0054191 0.0000000 1.0448779 0.0000000 0.0216833 0.0000000 1.1934482 4 Na 0.9931387 0.0000000 0.0108525 0.0000000 1.0634363 0.0000000 0.0113765 0.0000000 1.0539303 5 Na 1.0410846 0.0000000 -0.0054191 0.0000000 1.0448779 0.0000000 -0.0216833 0.0000000 1.1934482 6 Na 1.0410846 0.0000000 -0.0054191 0.0000000 1.0448779 0.0000000 -0.0216833 0.0000000 1.1934482 7 Na 1.0410846 0.0000000 0.0054191 0.0000000 1.0448779 0.0000000 0.0216833 0.0000000 1.1934482 8 Na 0.9931387 0.0000000 0.0108525 0.0000000 1.0634363 0.0000000 0.0113765 0.0000000 1.0539303 9 B 2.6738611 0.0000000 -0.1007393 0.0000000 0.4672851 0.0000000 -0.1100544 0.0000000 2.1086058 10 B 2.6738611 0.0000000 0.1007393 0.0000000 0.4672851 0.0000000 0.1100544 0.0000000 2.1086058 11 B 2.6738611 0.0000000 -0.1007393 0.0000000 0.4672851 0.0000000 -0.1100544 0.0000000 2.1086058 12 B 2.6738611 0.0000000 0.1007393 0.0000000 0.4672851 0.0000000 0.1100544 0.0000000 2.1086058 13 H 1.6015432 0.0000000 -0.9866805 0.0000000 0.2286770 0.0000000 -0.5366535 0.0000000 0.5958845 14 H 1.6015432 0.0000000 0.9866805 0.0000000 0.2286770 0.0000000 0.5366535 0.0000000 0.5958845 15 H 1.6015432 0.0000000 0.9866805 0.0000000 0.2286770 0.0000000 0.5366535 0.0000000 0.5958845 16 H 1.6015432 0.0000000 -0.9866805 0.0000000 0.2286770 0.0000000 -0.5366535 0.0000000 0.5958845 17 O -2.5178959 0.0000000 0.0925174 0.0000000 -0.8001747 0.0000000 -0.0832062 0.0000000 -1.3597724 18 O -1.3386099 0.0000000 0.0671413 0.0000000 -1.0775283 0.0000000 0.0663607 0.0000000 -2.0867089 19 O -2.5178959 0.0000000 0.0925174 0.0000000 -0.8001747 0.0000000 -0.0832062 0.0000000 -1.3597724 20 O -1.3386099 0.0000000 0.0671413 0.0000000 -1.0775283 0.0000000 0.0663607 0.0000000 -2.0867089 21 O -2.4531218 0.0000000 0.0116518 0.0000000 -0.9265735 0.0000000 0.2268782 0.0000000 -1.5053874 22 O -2.5178959 0.0000000 -0.0925174 0.0000000 -0.8001747 0.0000000 0.0832062 0.0000000 -1.3597724 23 O -2.4531218 0.0000000 0.0116518 0.0000000 -0.9265735 0.0000000 0.2268782 0.0000000 -1.5053874 24 O -1.3386099 0.0000000 -0.0671413 0.0000000 -1.0775283 0.0000000 -0.0663607 0.0000000 -2.0867089 25 O -2.4531218 0.0000000 -0.0116518 0.0000000 -0.9265735 0.0000000 -0.2268782 0.0000000 -1.5053874 26 O -1.3386099 0.0000000 -0.0671413 0.0000000 -1.0775283 0.0000000 -0.0663607 0.0000000 -2.0867089 27 O -2.5178959 0.0000000 -0.0925174 0.0000000 -0.8001747 0.0000000 0.0832062 0.0000000 -1.3597724 28 O -2.4531218 0.0000000 -0.0116518 0.0000000 -0.9265735 0.0000000 -0.2268782 0.0000000 -1.5053874 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.432 Solver_block: 200 / 480 - Time: 1.441 Solver_block: 300 / 480 - Time: 1.431 Solver_block: 400 / 480 - Time: 1.438 Solver_block: 480 / 480 - Time: 1.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.011 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 12:26:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:26:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.488487310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): 1 Na 0.56975693734828 0.25000000000000 0.10403651764964 22.990 2 Na 0.43024306265172 0.75000000000000 0.89596348235036 22.990 3 Na 0.82911928125951 0.75000000000000 0.94717920741452 22.990 4 Na 0.93024306265172 0.75000000000000 0.60403651764964 22.990 5 Na 0.32911928125951 0.75000000000000 0.55282079258548 22.990 6 Na 0.67088071874049 0.25000000000000 0.44717920741452 22.990 7 Na 0.17088071874049 0.25000000000000 0.05282079258548 22.990 8 Na 0.06975693734828 0.25000000000000 0.39596348235036 22.990 9 B 0.63457084970497 0.25000000000000 0.74227317435371 10.811 10 B 0.13457084970497 0.25000000000000 0.75772682564629 10.811 11 B 0.36542915029503 0.75000000000000 0.25772682564629 10.811 12 B 0.86542915029503 0.75000000000000 0.24227317435371 10.811 13 H 0.39443496382379 0.25000000000000 0.73418912222643 1.008 14 H 0.89443496382379 0.25000000000000 0.76581087777357 1.008 15 H 0.10556503617621 0.75000000000000 0.23418912222643 1.008 16 H 0.60556503617621 0.75000000000000 0.26581087777357 1.008 17 O 0.50733070897988 0.75000000000000 0.33484869886869 15.999 18 O 0.62856131604319 0.25000000000000 0.88042541654241 15.999 19 O 0.49266929102012 0.25000000000000 0.66515130113132 15.999 20 O 0.37143868395681 0.75000000000000 0.11957458345759 15.999 21 O 0.77113583644102 0.25000000000000 0.66932680954680 15.999 22 O 0.99266929102012 0.25000000000000 0.83484869886868 15.999 23 O 0.22886416355898 0.75000000000000 0.33067319045320 15.999 24 O 0.12856131604320 0.25000000000000 0.61957458345759 15.999 25 O 0.72886416355898 0.75000000000000 0.16932680954680 15.999 26 O 0.87143868395681 0.75000000000000 0.38042541654241 15.999 27 O 0.00733070897988 0.75000000000000 0.16515130113131 15.999 28 O 0.27113583644102 0.25000000000000 0.83067319045320 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465461930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): 1 Na 0.56975693734828 0.08333333333333 0.10403651764964 22.990 > 1 2 Na 0.56975693734828 0.41666666666667 0.10403651764964 22.990 > 1 3 Na 0.56975693734828 0.75000000000000 0.10403651764964 22.990 > 1 4 Na 0.43024306265172 0.25000000000000 0.89596348235036 22.990 > 4 5 Na 0.43024306265172 0.58333333333333 0.89596348235036 22.990 > 4 6 Na 0.43024306265172 0.91666666666667 0.89596348235036 22.990 > 4 7 Na 0.82911928125951 0.25000000000000 0.94717920741452 22.990 > 7 8 Na 0.82911928125951 0.58333333333333 0.94717920741452 22.990 > 7 9 Na 0.82911928125951 0.91666666666667 0.94717920741452 22.990 > 7 10 Na 0.93024306265172 0.25000000000000 0.60403651764964 22.990 > 10 11 Na 0.93024306265172 0.58333333333333 0.60403651764964 22.990 > 10 12 Na 0.93024306265172 0.91666666666667 0.60403651764964 22.990 > 10 13 Na 0.32911928125951 0.25000000000000 0.55282079258548 22.990 > 13 14 Na 0.32911928125951 0.58333333333333 0.55282079258548 22.990 > 13 15 Na 0.32911928125951 0.91666666666667 0.55282079258548 22.990 > 13 16 Na 0.67088071874049 0.08333333333333 0.44717920741452 22.990 > 16 17 Na 0.67088071874049 0.41666666666667 0.44717920741452 22.990 > 16 18 Na 0.67088071874049 0.75000000000000 0.44717920741452 22.990 > 16 19 Na 0.17088071874049 0.08333333333333 0.05282079258548 22.990 > 19 20 Na 0.17088071874049 0.41666666666667 0.05282079258548 22.990 > 19 21 Na 0.17088071874049 0.75000000000000 0.05282079258548 22.990 > 19 22 Na 0.06975693734828 0.08333333333333 0.39596348235036 22.990 > 22 23 Na 0.06975693734828 0.41666666666667 0.39596348235036 22.990 > 22 24 Na 0.06975693734828 0.75000000000000 0.39596348235036 22.990 > 22 25 B 0.63457084970497 0.08333333333333 0.74227317435371 10.811 > 25 26 B 0.63457084970497 0.41666666666667 0.74227317435371 10.811 > 25 27 B 0.63457084970497 0.75000000000000 0.74227317435371 10.811 > 25 28 B 0.13457084970497 0.08333333333333 0.75772682564629 10.811 > 28 29 B 0.13457084970497 0.41666666666667 0.75772682564629 10.811 > 28 30 B 0.13457084970497 0.75000000000000 0.75772682564629 10.811 > 28 31 B 0.36542915029503 0.25000000000000 0.25772682564629 10.811 > 31 32 B 0.36542915029503 0.58333333333333 0.25772682564629 10.811 > 31 33 B 0.36542915029503 0.91666666666667 0.25772682564629 10.811 > 31 34 B 0.86542915029503 0.25000000000000 0.24227317435371 10.811 > 34 35 B 0.86542915029503 0.58333333333333 0.24227317435371 10.811 > 34 36 B 0.86542915029503 0.91666666666667 0.24227317435371 10.811 > 34 37 H 0.39443496382379 0.08333333333333 0.73418912222643 1.008 > 37 38 H 0.39443496382379 0.41666666666667 0.73418912222643 1.008 > 37 39 H 0.39443496382379 0.75000000000000 0.73418912222643 1.008 > 37 40 H 0.89443496382379 0.08333333333333 0.76581087777357 1.008 > 40 41 H 0.89443496382379 0.41666666666667 0.76581087777357 1.008 > 40 42 H 0.89443496382379 0.75000000000000 0.76581087777357 1.008 > 40 43 H 0.10556503617621 0.25000000000000 0.23418912222643 1.008 > 43 44 H 0.10556503617621 0.58333333333333 0.23418912222643 1.008 > 43 45 H 0.10556503617621 0.91666666666667 0.23418912222643 1.008 > 43 46 H 0.60556503617621 0.25000000000000 0.26581087777357 1.008 > 46 47 H 0.60556503617621 0.58333333333333 0.26581087777357 1.008 > 46 48 H 0.60556503617621 0.91666666666667 0.26581087777357 1.008 > 46 49 O 0.50733070897988 0.25000000000000 0.33484869886869 15.999 > 49 50 O 0.50733070897988 0.58333333333333 0.33484869886869 15.999 > 49 51 O 0.50733070897988 0.91666666666667 0.33484869886869 15.999 > 49 52 O 0.62856131604319 0.08333333333333 0.88042541654241 15.999 > 52 53 O 0.62856131604319 0.41666666666667 0.88042541654241 15.999 > 52 54 O 0.62856131604319 0.75000000000000 0.88042541654241 15.999 > 52 55 O 0.49266929102012 0.08333333333333 0.66515130113132 15.999 > 55 56 O 0.49266929102012 0.41666666666667 0.66515130113132 15.999 > 55 57 O 0.49266929102012 0.75000000000000 0.66515130113132 15.999 > 55 58 O 0.37143868395681 0.25000000000000 0.11957458345759 15.999 > 58 59 O 0.37143868395681 0.58333333333333 0.11957458345759 15.999 > 58 60 O 0.37143868395681 0.91666666666667 0.11957458345759 15.999 > 58 61 O 0.77113583644102 0.08333333333333 0.66932680954680 15.999 > 61 62 O 0.77113583644102 0.41666666666667 0.66932680954680 15.999 > 61 63 O 0.77113583644102 0.75000000000000 0.66932680954680 15.999 > 61 64 O 0.99266929102012 0.08333333333333 0.83484869886868 15.999 > 64 65 O 0.99266929102012 0.41666666666667 0.83484869886868 15.999 > 64 66 O 0.99266929102012 0.75000000000000 0.83484869886868 15.999 > 64 67 O 0.22886416355898 0.25000000000000 0.33067319045320 15.999 > 67 68 O 0.22886416355898 0.58333333333333 0.33067319045320 15.999 > 67 69 O 0.22886416355898 0.91666666666667 0.33067319045320 15.999 > 67 70 O 0.12856131604320 0.08333333333333 0.61957458345759 15.999 > 70 71 O 0.12856131604320 0.41666666666667 0.61957458345759 15.999 > 70 72 O 0.12856131604320 0.75000000000000 0.61957458345759 15.999 > 70 73 O 0.72886416355898 0.25000000000000 0.16932680954680 15.999 > 73 74 O 0.72886416355898 0.58333333333333 0.16932680954680 15.999 > 73 75 O 0.72886416355898 0.91666666666667 0.16932680954680 15.999 > 73 76 O 0.87143868395681 0.25000000000000 0.38042541654241 15.999 > 76 77 O 0.87143868395681 0.58333333333333 0.38042541654241 15.999 > 76 78 O 0.87143868395681 0.91666666666667 0.38042541654241 15.999 > 76 79 O 0.00733070897988 0.25000000000000 0.16515130113131 15.999 > 79 80 O 0.00733070897988 0.58333333333333 0.16515130113131 15.999 > 79 81 O 0.00733070897988 0.91666666666667 0.16515130113131 15.999 > 79 82 O 0.27113583644102 0.08333333333333 0.83067319045320 15.999 > 82 83 O 0.27113583644102 0.41666666666667 0.83067319045320 15.999 > 82 84 O 0.27113583644102 0.75000000000000 0.83067319045320 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6261070 0.0000000 0.0000000 0.0000000 2.1945451 0.0000000 0.0000000 0.0000000 2.4564960 -------------------------- Born effective charges -------------------------- 1 Na 0.9931387 0.0000000 -0.0108525 0.0000000 1.0634363 0.0000000 -0.0113765 0.0000000 1.0539303 2 Na 0.9931387 0.0000000 -0.0108525 0.0000000 1.0634363 0.0000000 -0.0113765 0.0000000 1.0539303 3 Na 1.0410846 0.0000000 0.0054191 0.0000000 1.0448779 0.0000000 0.0216833 0.0000000 1.1934482 4 Na 0.9931387 0.0000000 0.0108525 0.0000000 1.0634363 0.0000000 0.0113765 0.0000000 1.0539303 5 Na 1.0410846 0.0000000 -0.0054191 0.0000000 1.0448779 0.0000000 -0.0216833 0.0000000 1.1934482 6 Na 1.0410846 0.0000000 -0.0054191 0.0000000 1.0448779 0.0000000 -0.0216833 0.0000000 1.1934482 7 Na 1.0410846 0.0000000 0.0054191 0.0000000 1.0448779 0.0000000 0.0216833 0.0000000 1.1934482 8 Na 0.9931387 0.0000000 0.0108525 0.0000000 1.0634363 0.0000000 0.0113765 0.0000000 1.0539303 9 B 2.6738611 0.0000000 -0.1007393 0.0000000 0.4672851 0.0000000 -0.1100544 0.0000000 2.1086058 10 B 2.6738611 0.0000000 0.1007393 0.0000000 0.4672851 0.0000000 0.1100544 0.0000000 2.1086058 11 B 2.6738611 0.0000000 -0.1007393 0.0000000 0.4672851 0.0000000 -0.1100544 0.0000000 2.1086058 12 B 2.6738611 0.0000000 0.1007393 0.0000000 0.4672851 0.0000000 0.1100544 0.0000000 2.1086058 13 H 1.6015432 0.0000000 -0.9866805 0.0000000 0.2286770 0.0000000 -0.5366535 0.0000000 0.5958845 14 H 1.6015432 0.0000000 0.9866805 0.0000000 0.2286770 0.0000000 0.5366535 0.0000000 0.5958845 15 H 1.6015432 0.0000000 0.9866805 0.0000000 0.2286770 0.0000000 0.5366535 0.0000000 0.5958845 16 H 1.6015432 0.0000000 -0.9866805 0.0000000 0.2286770 0.0000000 -0.5366535 0.0000000 0.5958845 17 O -2.5178959 0.0000000 0.0925174 0.0000000 -0.8001747 0.0000000 -0.0832062 0.0000000 -1.3597724 18 O -1.3386099 0.0000000 0.0671413 0.0000000 -1.0775283 0.0000000 0.0663607 0.0000000 -2.0867089 19 O -2.5178959 0.0000000 0.0925174 0.0000000 -0.8001747 0.0000000 -0.0832062 0.0000000 -1.3597724 20 O -1.3386099 0.0000000 0.0671413 0.0000000 -1.0775283 0.0000000 0.0663607 0.0000000 -2.0867089 21 O -2.4531218 0.0000000 0.0116518 0.0000000 -0.9265735 0.0000000 0.2268782 0.0000000 -1.5053874 22 O -2.5178959 0.0000000 -0.0925174 0.0000000 -0.8001747 0.0000000 0.0832062 0.0000000 -1.3597724 23 O -2.4531218 0.0000000 0.0116518 0.0000000 -0.9265735 0.0000000 0.2268782 0.0000000 -1.5053874 24 O -1.3386099 0.0000000 -0.0671413 0.0000000 -1.0775283 0.0000000 -0.0663607 0.0000000 -2.0867089 25 O -2.4531218 0.0000000 -0.0116518 0.0000000 -0.9265735 0.0000000 -0.2268782 0.0000000 -1.5053874 26 O -1.3386099 0.0000000 -0.0671413 0.0000000 -1.0775283 0.0000000 -0.0663607 0.0000000 -2.0867089 27 O -2.5178959 0.0000000 -0.0925174 0.0000000 -0.8001747 0.0000000 0.0832062 0.0000000 -1.3597724 28 O -2.4531218 0.0000000 -0.0116518 0.0000000 -0.9265735 0.0000000 -0.2268782 0.0000000 -1.5053874 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 12:26:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:26:43]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.488487310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): 1 Na 0.56975693734828 0.25000000000000 0.10403651764964 22.990 2 Na 0.43024306265172 0.75000000000000 0.89596348235036 22.990 3 Na 0.82911928125951 0.75000000000000 0.94717920741452 22.990 4 Na 0.93024306265172 0.75000000000000 0.60403651764964 22.990 5 Na 0.32911928125951 0.75000000000000 0.55282079258548 22.990 6 Na 0.67088071874049 0.25000000000000 0.44717920741452 22.990 7 Na 0.17088071874049 0.25000000000000 0.05282079258548 22.990 8 Na 0.06975693734828 0.25000000000000 0.39596348235036 22.990 9 B 0.63457084970497 0.25000000000000 0.74227317435371 10.811 10 B 0.13457084970497 0.25000000000000 0.75772682564629 10.811 11 B 0.36542915029503 0.75000000000000 0.25772682564629 10.811 12 B 0.86542915029503 0.75000000000000 0.24227317435371 10.811 13 H 0.39443496382379 0.25000000000000 0.73418912222643 1.008 14 H 0.89443496382379 0.25000000000000 0.76581087777357 1.008 15 H 0.10556503617621 0.75000000000000 0.23418912222643 1.008 16 H 0.60556503617621 0.75000000000000 0.26581087777357 1.008 17 O 0.50733070897988 0.75000000000000 0.33484869886869 15.999 18 O 0.62856131604319 0.25000000000000 0.88042541654241 15.999 19 O 0.49266929102012 0.25000000000000 0.66515130113132 15.999 20 O 0.37143868395681 0.75000000000000 0.11957458345759 15.999 21 O 0.77113583644102 0.25000000000000 0.66932680954680 15.999 22 O 0.99266929102012 0.25000000000000 0.83484869886868 15.999 23 O 0.22886416355898 0.75000000000000 0.33067319045320 15.999 24 O 0.12856131604320 0.25000000000000 0.61957458345759 15.999 25 O 0.72886416355898 0.75000000000000 0.16932680954680 15.999 26 O 0.87143868395681 0.75000000000000 0.38042541654241 15.999 27 O 0.00733070897988 0.75000000000000 0.16515130113131 15.999 28 O 0.27113583644102 0.25000000000000 0.83067319045320 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.544404460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.465461930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.867666000000000 Atomic positions (fractional): 1 Na 0.56975693734828 0.08333333333333 0.10403651764964 22.990 > 1 2 Na 0.56975693734828 0.41666666666667 0.10403651764964 22.990 > 1 3 Na 0.56975693734828 0.75000000000000 0.10403651764964 22.990 > 1 4 Na 0.43024306265172 0.25000000000000 0.89596348235036 22.990 > 4 5 Na 0.43024306265172 0.58333333333333 0.89596348235036 22.990 > 4 6 Na 0.43024306265172 0.91666666666667 0.89596348235036 22.990 > 4 7 Na 0.82911928125951 0.25000000000000 0.94717920741452 22.990 > 7 8 Na 0.82911928125951 0.58333333333333 0.94717920741452 22.990 > 7 9 Na 0.82911928125951 0.91666666666667 0.94717920741452 22.990 > 7 10 Na 0.93024306265172 0.25000000000000 0.60403651764964 22.990 > 10 11 Na 0.93024306265172 0.58333333333333 0.60403651764964 22.990 > 10 12 Na 0.93024306265172 0.91666666666667 0.60403651764964 22.990 > 10 13 Na 0.32911928125951 0.25000000000000 0.55282079258548 22.990 > 13 14 Na 0.32911928125951 0.58333333333333 0.55282079258548 22.990 > 13 15 Na 0.32911928125951 0.91666666666667 0.55282079258548 22.990 > 13 16 Na 0.67088071874049 0.08333333333333 0.44717920741452 22.990 > 16 17 Na 0.67088071874049 0.41666666666667 0.44717920741452 22.990 > 16 18 Na 0.67088071874049 0.75000000000000 0.44717920741452 22.990 > 16 19 Na 0.17088071874049 0.08333333333333 0.05282079258548 22.990 > 19 20 Na 0.17088071874049 0.41666666666667 0.05282079258548 22.990 > 19 21 Na 0.17088071874049 0.75000000000000 0.05282079258548 22.990 > 19 22 Na 0.06975693734828 0.08333333333333 0.39596348235036 22.990 > 22 23 Na 0.06975693734828 0.41666666666667 0.39596348235036 22.990 > 22 24 Na 0.06975693734828 0.75000000000000 0.39596348235036 22.990 > 22 25 B 0.63457084970497 0.08333333333333 0.74227317435371 10.811 > 25 26 B 0.63457084970497 0.41666666666667 0.74227317435371 10.811 > 25 27 B 0.63457084970497 0.75000000000000 0.74227317435371 10.811 > 25 28 B 0.13457084970497 0.08333333333333 0.75772682564629 10.811 > 28 29 B 0.13457084970497 0.41666666666667 0.75772682564629 10.811 > 28 30 B 0.13457084970497 0.75000000000000 0.75772682564629 10.811 > 28 31 B 0.36542915029503 0.25000000000000 0.25772682564629 10.811 > 31 32 B 0.36542915029503 0.58333333333333 0.25772682564629 10.811 > 31 33 B 0.36542915029503 0.91666666666667 0.25772682564629 10.811 > 31 34 B 0.86542915029503 0.25000000000000 0.24227317435371 10.811 > 34 35 B 0.86542915029503 0.58333333333333 0.24227317435371 10.811 > 34 36 B 0.86542915029503 0.91666666666667 0.24227317435371 10.811 > 34 37 H 0.39443496382379 0.08333333333333 0.73418912222643 1.008 > 37 38 H 0.39443496382379 0.41666666666667 0.73418912222643 1.008 > 37 39 H 0.39443496382379 0.75000000000000 0.73418912222643 1.008 > 37 40 H 0.89443496382379 0.08333333333333 0.76581087777357 1.008 > 40 41 H 0.89443496382379 0.41666666666667 0.76581087777357 1.008 > 40 42 H 0.89443496382379 0.75000000000000 0.76581087777357 1.008 > 40 43 H 0.10556503617621 0.25000000000000 0.23418912222643 1.008 > 43 44 H 0.10556503617621 0.58333333333333 0.23418912222643 1.008 > 43 45 H 0.10556503617621 0.91666666666667 0.23418912222643 1.008 > 43 46 H 0.60556503617621 0.25000000000000 0.26581087777357 1.008 > 46 47 H 0.60556503617621 0.58333333333333 0.26581087777357 1.008 > 46 48 H 0.60556503617621 0.91666666666667 0.26581087777357 1.008 > 46 49 O 0.50733070897988 0.25000000000000 0.33484869886869 15.999 > 49 50 O 0.50733070897988 0.58333333333333 0.33484869886869 15.999 > 49 51 O 0.50733070897988 0.91666666666667 0.33484869886869 15.999 > 49 52 O 0.62856131604319 0.08333333333333 0.88042541654241 15.999 > 52 53 O 0.62856131604319 0.41666666666667 0.88042541654241 15.999 > 52 54 O 0.62856131604319 0.75000000000000 0.88042541654241 15.999 > 52 55 O 0.49266929102012 0.08333333333333 0.66515130113132 15.999 > 55 56 O 0.49266929102012 0.41666666666667 0.66515130113132 15.999 > 55 57 O 0.49266929102012 0.75000000000000 0.66515130113132 15.999 > 55 58 O 0.37143868395681 0.25000000000000 0.11957458345759 15.999 > 58 59 O 0.37143868395681 0.58333333333333 0.11957458345759 15.999 > 58 60 O 0.37143868395681 0.91666666666667 0.11957458345759 15.999 > 58 61 O 0.77113583644102 0.08333333333333 0.66932680954680 15.999 > 61 62 O 0.77113583644102 0.41666666666667 0.66932680954680 15.999 > 61 63 O 0.77113583644102 0.75000000000000 0.66932680954680 15.999 > 61 64 O 0.99266929102012 0.08333333333333 0.83484869886868 15.999 > 64 65 O 0.99266929102012 0.41666666666667 0.83484869886868 15.999 > 64 66 O 0.99266929102012 0.75000000000000 0.83484869886868 15.999 > 64 67 O 0.22886416355898 0.25000000000000 0.33067319045320 15.999 > 67 68 O 0.22886416355898 0.58333333333333 0.33067319045320 15.999 > 67 69 O 0.22886416355898 0.91666666666667 0.33067319045320 15.999 > 67 70 O 0.12856131604320 0.08333333333333 0.61957458345759 15.999 > 70 71 O 0.12856131604320 0.41666666666667 0.61957458345759 15.999 > 70 72 O 0.12856131604320 0.75000000000000 0.61957458345759 15.999 > 70 73 O 0.72886416355898 0.25000000000000 0.16932680954680 15.999 > 73 74 O 0.72886416355898 0.58333333333333 0.16932680954680 15.999 > 73 75 O 0.72886416355898 0.91666666666667 0.16932680954680 15.999 > 73 76 O 0.87143868395681 0.25000000000000 0.38042541654241 15.999 > 76 77 O 0.87143868395681 0.58333333333333 0.38042541654241 15.999 > 76 78 O 0.87143868395681 0.91666666666667 0.38042541654241 15.999 > 76 79 O 0.00733070897988 0.25000000000000 0.16515130113131 15.999 > 79 80 O 0.00733070897988 0.58333333333333 0.16515130113131 15.999 > 79 81 O 0.00733070897988 0.91666666666667 0.16515130113131 15.999 > 79 82 O 0.27113583644102 0.08333333333333 0.83067319045320 15.999 > 82 83 O 0.27113583644102 0.41666666666667 0.83067319045320 15.999 > 82 84 O 0.27113583644102 0.75000000000000 0.83067319045320 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6261070 0.0000000 0.0000000 0.0000000 2.1945451 0.0000000 0.0000000 0.0000000 2.4564960 -------------------------- Born effective charges -------------------------- 1 Na 0.9931387 0.0000000 -0.0108525 0.0000000 1.0634363 0.0000000 -0.0113765 0.0000000 1.0539303 2 Na 0.9931387 0.0000000 -0.0108525 0.0000000 1.0634363 0.0000000 -0.0113765 0.0000000 1.0539303 3 Na 1.0410846 0.0000000 0.0054191 0.0000000 1.0448779 0.0000000 0.0216833 0.0000000 1.1934482 4 Na 0.9931387 0.0000000 0.0108525 0.0000000 1.0634363 0.0000000 0.0113765 0.0000000 1.0539303 5 Na 1.0410846 0.0000000 -0.0054191 0.0000000 1.0448779 0.0000000 -0.0216833 0.0000000 1.1934482 6 Na 1.0410846 0.0000000 -0.0054191 0.0000000 1.0448779 0.0000000 -0.0216833 0.0000000 1.1934482 7 Na 1.0410846 0.0000000 0.0054191 0.0000000 1.0448779 0.0000000 0.0216833 0.0000000 1.1934482 8 Na 0.9931387 0.0000000 0.0108525 0.0000000 1.0634363 0.0000000 0.0113765 0.0000000 1.0539303 9 B 2.6738611 0.0000000 -0.1007393 0.0000000 0.4672851 0.0000000 -0.1100544 0.0000000 2.1086058 10 B 2.6738611 0.0000000 0.1007393 0.0000000 0.4672851 0.0000000 0.1100544 0.0000000 2.1086058 11 B 2.6738611 0.0000000 -0.1007393 0.0000000 0.4672851 0.0000000 -0.1100544 0.0000000 2.1086058 12 B 2.6738611 0.0000000 0.1007393 0.0000000 0.4672851 0.0000000 0.1100544 0.0000000 2.1086058 13 H 1.6015432 0.0000000 -0.9866805 0.0000000 0.2286770 0.0000000 -0.5366535 0.0000000 0.5958845 14 H 1.6015432 0.0000000 0.9866805 0.0000000 0.2286770 0.0000000 0.5366535 0.0000000 0.5958845 15 H 1.6015432 0.0000000 0.9866805 0.0000000 0.2286770 0.0000000 0.5366535 0.0000000 0.5958845 16 H 1.6015432 0.0000000 -0.9866805 0.0000000 0.2286770 0.0000000 -0.5366535 0.0000000 0.5958845 17 O -2.5178959 0.0000000 0.0925174 0.0000000 -0.8001747 0.0000000 -0.0832062 0.0000000 -1.3597724 18 O -1.3386099 0.0000000 0.0671413 0.0000000 -1.0775283 0.0000000 0.0663607 0.0000000 -2.0867089 19 O -2.5178959 0.0000000 0.0925174 0.0000000 -0.8001747 0.0000000 -0.0832062 0.0000000 -1.3597724 20 O -1.3386099 0.0000000 0.0671413 0.0000000 -1.0775283 0.0000000 0.0663607 0.0000000 -2.0867089 21 O -2.4531218 0.0000000 0.0116518 0.0000000 -0.9265735 0.0000000 0.2268782 0.0000000 -1.5053874 22 O -2.5178959 0.0000000 -0.0925174 0.0000000 -0.8001747 0.0000000 0.0832062 0.0000000 -1.3597724 23 O -2.4531218 0.0000000 0.0116518 0.0000000 -0.9265735 0.0000000 0.2268782 0.0000000 -1.5053874 24 O -1.3386099 0.0000000 -0.0671413 0.0000000 -1.0775283 0.0000000 -0.0663607 0.0000000 -2.0867089 25 O -2.4531218 0.0000000 -0.0116518 0.0000000 -0.9265735 0.0000000 -0.2268782 0.0000000 -1.5053874 26 O -1.3386099 0.0000000 -0.0671413 0.0000000 -1.0775283 0.0000000 -0.0663607 0.0000000 -2.0867089 27 O -2.5178959 0.0000000 -0.0925174 0.0000000 -0.8001747 0.0000000 0.0832062 0.0000000 -1.3597724 28 O -2.4531218 0.0000000 -0.0116518 0.0000000 -0.9265735 0.0000000 -0.2268782 0.0000000 -1.5053874 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 14 5 ] 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: 0.62, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 1.058 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 12.761 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 15.969 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.151 ( 0.000 0.000 0.000) 0.000 17.353 ( 0.000 0.000 0.000) 0.000 17.418 ( 0.000 0.000 0.000) 0.000 17.567 ( 0.000 0.000 0.000) 0.000 17.792 ( 0.000 0.000 0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 20.813 ( 0.000 0.000 0.000) 0.000 20.887 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 25.912 ( 0.000 0.000 0.000) 0.000 25.981 ( 0.000 0.000 0.000) 0.000 26.551 ( 0.000 0.000 0.000) 0.000 26.601 ( 0.000 0.000 0.000) 0.000 33.503 ( 0.000 0.000 0.000) 0.000 33.724 ( 0.000 0.000 0.000) 0.000 36.884 ( 0.000 0.000 0.000) 0.000 37.210 ( 0.000 0.000 0.000) 0.000 38.035 ( 0.000 0.000 0.000) 0.000 38.051 ( 0.000 0.000 0.000) 0.000 38.536 ( 0.000 0.000 0.000) 0.000 38.556 ( 0.000 0.000 0.000) 0.000 38.797 ( 0.000 0.000 0.000) 0.000 39.604 ( 0.000 0.000 0.000) 0.000 40.102 ( 0.000 0.000 0.000) 0.000 40.461 ( 0.000 0.000 0.000) 0.000 43.447 ( 0.000 0.000 0.000) 0.000 43.465 ( 0.000 0.000 0.000) 0.000 45.734 ( 0.000 0.000 0.000) 0.000 46.770 ( 0.000 0.000 0.000) 0.000 57.564 ( 0.000 0.000 0.000) 0.000 57.836 ( 0.000 0.000 0.000) 0.000 63.182 ( 0.000 0.000 0.000) 0.000 64.581 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 22.358 0.000 0.000) 22.358 0.691 ( 36.202 0.000 0.000) 36.202 1.137 ( 7.693 0.000 0.000) 7.693 1.578 ( 76.348 0.000 0.000) 76.348 2.178 ( -14.319 0.000 0.000) 14.319 2.475 ( -13.901 0.000 0.000) 13.901 2.644 ( 46.025 0.000 0.000) 46.025 2.731 ( 0.957 0.000 0.000) 0.957 2.798 ( 0.445 0.000 0.000) 0.445 3.250 ( 6.750 0.000 0.000) 6.750 3.324 ( 6.174 0.000 0.000) 6.174 3.395 ( 3.957 0.000 0.000) 3.957 3.878 ( 1.076 0.000 0.000) 1.076 4.003 ( 3.821 0.000 0.000) 3.821 4.068 ( 8.235 0.000 0.000) 8.235 4.134 ( -20.295 0.000 0.000) 20.295 4.315 ( 1.566 0.000 0.000) 1.566 4.381 ( 1.401 0.000 0.000) 1.401 4.528 ( -0.726 0.000 0.000) 0.726 4.607 ( -3.048 0.000 0.000) 3.048 4.638 ( -2.367 0.000 0.000) 2.367 4.705 ( -0.887 0.000 0.000) 0.887 4.711 ( -3.633 0.000 0.000) 3.633 4.735 ( -5.720 0.000 0.000) 5.720 5.040 ( -9.352 0.000 0.000) 9.352 5.235 ( 3.873 0.000 0.000) 3.873 5.467 ( 16.233 0.000 0.000) 16.233 5.509 ( -2.824 0.000 0.000) 2.824 5.695 ( -7.299 0.000 0.000) 7.299 5.998 ( -11.331 0.000 0.000) 11.331 6.399 ( -0.827 0.000 0.000) 0.827 6.551 ( -2.193 0.000 0.000) 2.193 6.791 ( 28.270 0.000 0.000) 28.270 7.027 ( -1.366 0.000 0.000) 1.366 7.033 ( -0.942 0.000 0.000) 0.942 7.099 ( 0.627 0.000 0.000) 0.627 7.356 ( 9.951 0.000 0.000) 9.951 7.567 ( 1.158 0.000 0.000) 1.158 7.716 ( -1.141 0.000 0.000) 1.141 7.777 ( -6.480 0.000 0.000) 6.480 7.877 ( 1.311 0.000 0.000) 1.311 8.012 ( -15.102 0.000 0.000) 15.102 8.039 ( -1.196 0.000 0.000) 1.196 8.274 ( 6.879 0.000 0.000) 6.879 8.294 ( -0.080 0.000 0.000) 0.080 8.873 ( 20.979 0.000 0.000) 20.979 12.024 ( -47.115 0.000 0.000) 47.115 12.470 ( -30.893 0.000 0.000) 30.893 15.985 ( 6.252 0.000 0.000) 6.252 16.140 ( 5.091 0.000 0.000) 5.091 16.262 ( 11.100 0.000 0.000) 11.100 16.410 ( 4.435 0.000 0.000) 4.435 17.468 ( 9.995 0.000 0.000) 9.995 17.568 ( 16.445 0.000 0.000) 16.445 17.663 ( 8.633 0.000 0.000) 8.633 19.487 ( -12.140 0.000 0.000) 12.140 20.812 ( 0.520 0.000 0.000) 0.520 20.818 ( 0.491 0.000 0.000) 0.491 20.882 ( -0.572 0.000 0.000) 0.572 20.883 ( -0.504 0.000 0.000) 0.504 25.934 ( 2.437 0.000 0.000) 2.437 26.021 ( 3.897 0.000 0.000) 3.897 26.494 ( -6.062 0.000 0.000) 6.062 26.543 ( -5.017 0.000 0.000) 5.017 34.120 ( 38.152 0.000 0.000) 38.152 36.933 ( 4.714 0.000 0.000) 4.714 37.119 ( -10.016 0.000 0.000) 10.016 37.344 ( -2.188 0.000 0.000) 2.188 38.068 ( 3.362 0.000 0.000) 3.362 38.085 ( 3.391 0.000 0.000) 3.391 38.502 ( -3.365 0.000 0.000) 3.365 38.522 ( -3.388 0.000 0.000) 3.388 38.740 ( -4.195 0.000 0.000) 4.195 39.713 ( 10.506 0.000 0.000) 10.506 39.861 ( -21.980 0.000 0.000) 21.980 41.711 ( -36.320 0.000 0.000) 36.320 43.735 ( 24.878 0.000 0.000) 24.878 44.017 ( 43.181 0.000 0.000) 43.181 45.640 ( -9.632 0.000 0.000) 9.632 46.645 ( -12.746 0.000 0.000) 12.746 58.238 ( 40.092 0.000 0.000) 40.092 62.911 ( -28.549 0.000 0.000) 28.549 63.113 ( 7.846 0.000 0.000) 7.846 64.406 ( -16.210 0.000 0.000) 16.210 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 21.241 0.000 0.000) 21.241 1.311 ( 7.521 0.000 0.000) 7.521 1.422 ( 38.703 0.000 0.000) 38.703 1.884 ( -12.816 0.000 0.000) 12.816 2.164 ( -16.861 0.000 0.000) 16.861 2.707 ( 12.210 0.000 0.000) 12.210 2.748 ( 0.909 0.000 0.000) 0.909 2.791 ( -0.971 0.000 0.000) 0.971 3.135 ( 21.040 0.000 0.000) 21.040 3.420 ( 3.019 0.000 0.000) 3.019 3.433 ( 11.557 0.000 0.000) 11.557 3.448 ( 1.257 0.000 0.000) 1.257 3.927 ( -3.947 0.000 0.000) 3.947 3.971 ( 7.726 0.000 0.000) 7.726 4.101 ( 4.975 0.000 0.000) 4.975 4.240 ( 8.907 0.000 0.000) 8.907 4.377 ( -17.233 0.000 0.000) 17.233 4.391 ( -1.005 0.000 0.000) 1.005 4.528 ( -4.692 0.000 0.000) 4.692 4.559 ( 29.364 0.000 0.000) 29.364 4.587 ( -3.600 0.000 0.000) 3.600 4.623 ( -3.401 0.000 0.000) 3.401 4.676 ( -2.022 0.000 0.000) 2.022 4.807 ( 13.525 0.000 0.000) 13.525 4.926 ( 0.321 0.000 0.000) 0.321 5.233 ( -3.659 0.000 0.000) 3.659 5.410 ( -7.866 0.000 0.000) 7.866 5.666 ( 6.259 0.000 0.000) 6.259 5.710 ( -18.104 0.000 0.000) 18.104 5.818 ( 19.793 0.000 0.000) 19.793 6.255 ( -14.016 0.000 0.000) 14.016 6.477 ( -6.352 0.000 0.000) 6.352 6.977 ( -3.672 0.000 0.000) 3.672 7.000 ( -2.251 0.000 0.000) 2.251 7.153 ( 3.986 0.000 0.000) 3.986 7.179 ( 7.337 0.000 0.000) 7.337 7.599 ( 2.009 0.000 0.000) 2.009 7.611 ( -4.505 0.000 0.000) 4.505 7.659 ( -18.909 0.000 0.000) 18.909 7.685 ( -1.990 0.000 0.000) 1.990 7.793 ( 27.576 0.000 0.000) 27.576 7.913 ( 2.234 0.000 0.000) 2.234 8.006 ( -2.119 0.000 0.000) 2.119 8.260 ( -3.249 0.000 0.000) 3.249 8.575 ( 29.048 0.000 0.000) 29.048 9.536 ( 45.773 0.000 0.000) 45.773 10.883 ( -66.500 0.000 0.000) 66.500 11.636 ( -51.693 0.000 0.000) 51.693 16.102 ( 5.144 0.000 0.000) 5.144 16.199 ( 0.925 0.000 0.000) 0.925 16.465 ( 7.654 0.000 0.000) 7.654 16.503 ( 4.210 0.000 0.000) 4.210 17.686 ( 10.991 0.000 0.000) 10.991 17.825 ( 5.888 0.000 0.000) 5.888 18.034 ( 29.243 0.000 0.000) 29.243 19.143 ( -22.658 0.000 0.000) 22.658 20.826 ( 0.913 0.000 0.000) 0.913 20.832 ( 0.861 0.000 0.000) 0.861 20.866 ( -0.955 0.000 0.000) 0.955 20.869 ( -0.884 0.000 0.000) 0.884 26.012 ( 5.609 0.000 0.000) 5.609 26.126 ( 6.755 0.000 0.000) 6.755 26.332 ( -9.546 0.000 0.000) 9.546 26.425 ( -7.130 0.000 0.000) 7.130 35.058 ( 53.454 0.000 0.000) 53.454 36.769 ( -26.875 0.000 0.000) 26.875 37.052 ( 6.782 0.000 0.000) 6.782 37.282 ( -4.231 0.000 0.000) 4.231 38.160 ( 5.825 0.000 0.000) 5.825 38.177 ( 5.872 0.000 0.000) 5.872 38.410 ( -5.828 0.000 0.000) 5.828 38.430 ( -5.869 0.000 0.000) 5.869 38.718 ( 3.905 0.000 0.000) 3.905 39.368 ( -25.901 0.000 0.000) 25.901 39.995 ( 18.261 0.000 0.000) 18.261 41.011 ( -33.676 0.000 0.000) 33.676 44.312 ( 31.662 0.000 0.000) 31.662 44.892 ( 44.001 0.000 0.000) 44.001 45.359 ( -19.156 0.000 0.000) 19.156 46.276 ( -24.939 0.000 0.000) 24.939 59.318 ( 67.582 0.000 0.000) 67.582 62.056 ( -58.152 0.000 0.000) 58.152 63.332 ( 14.276 0.000 0.000) 14.276 64.035 ( -20.148 0.000 0.000) 20.148 ======================= Grid point 3 (4/96) ======================= 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -15.212 0.000 0.000) 15.212 1.241 ( 15.212 0.000 0.000) 15.212 1.867 ( -11.310 0.000 0.000) 11.310 1.867 ( 11.310 0.000 0.000) 11.310 2.187 ( -38.678 0.000 0.000) 38.678 2.187 ( 38.678 0.000 0.000) 38.678 2.768 ( -1.176 0.000 0.000) 1.176 2.768 ( 1.176 0.000 0.000) 1.176 3.452 ( -0.657 0.000 0.000) 0.657 3.452 ( 0.657 0.000 0.000) 0.657 3.652 ( -4.544 0.000 0.000) 4.544 3.652 ( 4.544 0.000 0.000) 4.544 3.913 ( -24.014 0.000 0.000) 24.014 3.913 ( 24.014 0.000 0.000) 24.014 4.116 ( -4.846 0.000 0.000) 4.846 4.116 ( 4.846 0.000 0.000) 4.846 4.369 ( -1.897 0.000 0.000) 1.897 4.369 ( 1.897 0.000 0.000) 1.897 4.481 ( -3.230 0.000 0.000) 3.230 4.481 ( 3.230 0.000 0.000) 3.230 4.632 ( -2.209 0.000 0.000) 2.209 4.632 ( 2.209 0.000 0.000) 2.209 4.987 ( -1.487 0.000 0.000) 1.487 4.987 ( 1.487 0.000 0.000) 1.487 5.154 ( -20.834 0.000 0.000) 20.834 5.154 ( 20.834 0.000 0.000) 20.834 5.317 ( -18.736 0.000 0.000) 18.736 5.317 ( 18.736 0.000 0.000) 18.736 5.922 ( -17.953 0.000 0.000) 17.953 5.922 ( 17.953 0.000 0.000) 17.953 6.221 ( -19.603 0.000 0.000) 19.603 6.221 ( 19.603 0.000 0.000) 19.603 6.942 ( -1.344 0.000 0.000) 1.344 6.942 ( 1.344 0.000 0.000) 1.344 7.253 ( -5.118 0.000 0.000) 5.118 7.253 ( 5.118 0.000 0.000) 5.118 7.460 ( -4.439 0.000 0.000) 4.439 7.460 ( 4.439 0.000 0.000) 4.439 7.642 ( -2.313 0.000 0.000) 2.313 7.642 ( 2.313 0.000 0.000) 2.313 7.960 ( -2.517 0.000 0.000) 2.517 7.960 ( 2.517 0.000 0.000) 2.517 8.155 ( -8.805 0.000 0.000) 8.805 8.155 ( 8.805 0.000 0.000) 8.805 9.557 ( -65.481 0.000 0.000) 65.481 9.557 ( 65.481 0.000 0.000) 65.481 10.558 ( -56.314 0.000 0.000) 56.314 10.558 ( 56.314 0.000 0.000) 56.314 16.179 ( -2.715 0.000 0.000) 2.715 16.179 ( 2.715 0.000 0.000) 2.715 16.544 ( -0.625 0.000 0.000) 0.625 16.544 ( 0.625 0.000 0.000) 0.625 17.844 ( -4.135 0.000 0.000) 4.135 17.844 ( 4.135 0.000 0.000) 4.135 18.625 ( -29.643 0.000 0.000) 29.643 18.625 ( 29.643 0.000 0.000) 29.643 20.846 ( -1.076 0.000 0.000) 1.076 20.846 ( 1.076 0.000 0.000) 1.076 20.850 ( -1.010 0.000 0.000) 1.010 20.850 ( 1.010 0.000 0.000) 1.010 26.151 ( -8.519 0.000 0.000) 8.519 26.151 ( 8.519 0.000 0.000) 8.519 26.274 ( -8.005 0.000 0.000) 8.005 26.274 ( 8.005 0.000 0.000) 8.005 36.053 ( -45.718 0.000 0.000) 45.718 36.053 ( 45.718 0.000 0.000) 45.718 37.181 ( -6.036 0.000 0.000) 6.036 37.181 ( 6.036 0.000 0.000) 6.036 38.285 ( -6.728 0.000 0.000) 6.728 38.285 ( 6.728 0.000 0.000) 6.728 38.304 ( -6.778 0.000 0.000) 6.778 38.304 ( 6.778 0.000 0.000) 6.778 38.930 ( -17.601 0.000 0.000) 17.601 38.930 ( 17.601 0.000 0.000) 17.601 40.426 ( -26.050 0.000 0.000) 26.050 40.426 ( 26.050 0.000 0.000) 26.050 44.900 ( -27.512 0.000 0.000) 27.512 44.900 ( 27.512 0.000 0.000) 27.512 45.680 ( -35.961 0.000 0.000) 35.961 45.680 ( 35.961 0.000 0.000) 35.961 60.735 ( -73.917 0.000 0.000) 73.917 60.735 ( 73.917 0.000 0.000) 73.917 63.655 ( -18.402 0.000 0.000) 18.402 63.655 ( 18.402 0.000 0.000) 18.402 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.07 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 0.000 17.353 0.000) 17.353 0.471 ( 0.000 23.910 0.000) 23.910 1.082 ( 0.000 52.035 0.000) 52.035 1.552 ( 0.000 39.255 0.000) 39.255 2.048 ( 0.000 1.761 0.000) 1.761 2.568 ( 0.000 20.796 0.000) 20.796 2.900 ( 0.000 17.668 0.000) 17.668 2.955 ( 0.000 14.948 0.000) 14.948 2.960 ( 0.000 21.090 0.000) 21.090 3.156 ( 0.000 -0.821 0.000) 0.821 3.319 ( 0.000 -1.090 0.000) 1.090 3.370 ( 0.000 9.615 0.000) 9.615 3.734 ( 0.000 10.959 0.000) 10.959 4.009 ( 0.000 4.993 0.000) 4.993 4.068 ( 0.000 16.100 0.000) 16.100 4.122 ( 0.000 14.357 0.000) 14.357 4.431 ( 0.000 -4.145 0.000) 4.145 4.520 ( 0.000 1.292 0.000) 1.292 4.563 ( 0.000 6.274 0.000) 6.274 4.723 ( 0.000 -1.181 0.000) 1.181 4.759 ( 0.000 11.350 0.000) 11.350 4.787 ( 0.000 5.113 0.000) 5.113 4.889 ( 0.000 5.403 0.000) 5.403 5.127 ( 0.000 1.526 0.000) 1.526 5.200 ( 0.000 5.350 0.000) 5.350 5.351 ( 0.000 11.793 0.000) 11.793 5.622 ( 0.000 -3.968 0.000) 3.968 5.627 ( 0.000 8.785 0.000) 8.785 5.918 ( 0.000 8.286 0.000) 8.286 6.104 ( 0.000 -1.526 0.000) 1.526 6.376 ( 0.000 -0.763 0.000) 0.763 6.470 ( 0.000 0.491 0.000) 0.491 6.562 ( 0.000 -0.083 0.000) 0.083 6.711 ( 0.000 -1.862 0.000) 1.862 6.934 ( 0.000 -11.803 0.000) 11.803 7.024 ( 0.000 -2.048 0.000) 2.048 7.112 ( 0.000 -2.625 0.000) 2.625 7.529 ( 0.000 -13.134 0.000) 13.134 7.719 ( 0.000 10.483 0.000) 10.483 7.840 ( 0.000 -2.254 0.000) 2.254 8.167 ( 0.000 -5.222 0.000) 5.222 8.182 ( 0.000 8.182 0.000) 8.182 8.222 ( 0.000 3.648 0.000) 3.648 8.283 ( 0.000 -1.651 0.000) 1.651 8.294 ( 0.000 2.486 0.000) 2.486 9.717 ( 0.000 1.409 0.000) 1.409 12.495 ( 0.000 -4.706 0.000) 4.706 12.701 ( 0.000 -5.752 0.000) 5.752 15.902 ( 0.000 -0.709 0.000) 0.709 15.960 ( 0.000 -0.856 0.000) 0.856 16.042 ( 0.000 -0.723 0.000) 0.723 16.141 ( 0.000 -0.954 0.000) 0.954 17.338 ( 0.000 -1.336 0.000) 1.336 17.402 ( 0.000 -1.522 0.000) 1.522 17.555 ( 0.000 -1.148 0.000) 1.148 17.762 ( 0.000 -2.825 0.000) 2.825 20.863 ( 0.000 5.266 0.000) 5.266 20.933 ( 0.000 4.303 0.000) 4.303 20.933 ( 0.000 4.340 0.000) 4.340 21.427 ( 0.000 0.853 0.000) 0.853 25.902 ( 0.000 -0.899 0.000) 0.899 25.970 ( 0.000 -1.109 0.000) 1.109 26.543 ( 0.000 -0.748 0.000) 0.748 26.586 ( 0.000 -1.353 0.000) 1.353 33.492 ( 0.000 -1.108 0.000) 1.108 33.710 ( 0.000 -1.379 0.000) 1.379 36.826 ( 0.000 -5.538 0.000) 5.538 37.124 ( 0.000 -7.955 0.000) 7.955 38.058 ( 0.000 0.613 0.000) 0.613 38.075 ( 0.000 3.609 0.000) 3.609 38.598 ( 0.000 3.975 0.000) 3.975 38.783 ( 0.000 -1.178 0.000) 1.178 38.820 ( 0.000 2.469 0.000) 2.469 39.548 ( 0.000 -5.402 0.000) 5.402 40.062 ( 0.000 -3.770 0.000) 3.770 40.409 ( 0.000 -5.032 0.000) 5.032 43.442 ( 0.000 -0.529 0.000) 0.529 43.463 ( 0.000 -0.231 0.000) 0.231 45.709 ( 0.000 -2.387 0.000) 2.387 46.682 ( 0.000 -8.279 0.000) 8.279 57.512 ( 0.000 -4.951 0.000) 4.951 57.777 ( 0.000 -5.736 0.000) 5.736 62.987 ( 0.000 -18.531 0.000) 18.531 64.331 ( 0.000 -23.710 0.000) 23.710 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.07 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 33.224 4.864 0.000) 33.578 1.067 ( 13.669 37.970 0.000) 40.355 1.611 ( 5.936 38.094 0.000) 38.554 1.695 ( 65.752 14.605 0.000) 67.355 2.383 ( -15.230 18.635 0.000) 24.067 2.607 ( 31.918 2.950 0.000) 32.055 2.751 ( -4.070 18.149 0.000) 18.600 2.931 ( 0.005 18.208 0.000) 18.208 2.986 ( 0.802 17.490 0.000) 17.508 3.219 ( 6.366 -2.079 0.000) 6.697 3.448 ( 10.068 3.316 0.000) 10.600 3.467 ( 8.292 11.425 0.000) 14.117 3.960 ( -1.498 6.963 0.000) 7.123 3.972 ( -2.356 -2.207 0.000) 3.228 4.132 ( 6.825 7.092 0.000) 9.842 4.175 ( 7.481 11.257 0.000) 13.516 4.237 ( -5.781 4.876 0.000) 7.563 4.501 ( -2.007 3.442 0.000) 3.984 4.544 ( 1.519 3.115 0.000) 3.465 4.717 ( -4.569 8.382 0.000) 9.547 4.734 ( -2.991 6.336 0.000) 7.006 4.778 ( -0.847 6.938 0.000) 6.989 4.839 ( -3.210 10.095 0.000) 10.594 5.080 ( -10.102 13.233 0.000) 16.648 5.125 ( -6.326 8.399 0.000) 10.514 5.325 ( -3.214 12.265 0.000) 12.679 5.508 ( 9.724 3.337 0.000) 10.280 5.589 ( -3.727 7.609 0.000) 8.472 5.700 ( -7.814 3.046 0.000) 8.386 5.978 ( -11.473 -1.548 0.000) 11.577 6.385 ( -1.353 -1.357 0.000) 1.916 6.549 ( -2.267 -0.124 0.000) 2.270 6.713 ( 26.467 -5.522 0.000) 27.037 6.931 ( 1.669 -10.267 0.000) 10.402 6.970 ( 5.618 -3.677 0.000) 6.715 7.020 ( -1.097 -2.412 0.000) 2.650 7.296 ( 3.853 -6.031 0.000) 7.157 7.517 ( 9.854 -9.680 0.000) 13.813 7.721 ( -0.075 9.211 0.000) 9.211 7.820 ( -3.038 -3.978 0.000) 5.005 7.919 ( -8.815 1.477 0.000) 8.938 8.079 ( -9.962 6.171 0.000) 11.718 8.171 ( -4.622 7.686 0.000) 8.969 8.323 ( 0.225 2.961 0.000) 2.969 8.379 ( 4.085 5.482 0.000) 6.836 9.053 ( -3.231 16.701 0.000) 17.011 11.977 ( -46.982 -4.552 0.000) 47.202 12.411 ( -30.907 -5.683 0.000) 31.426 15.975 ( 6.141 -0.996 0.000) 6.222 16.130 ( 4.976 -0.950 0.000) 5.066 16.245 ( 10.497 -1.636 0.000) 10.624 16.334 ( 10.414 -6.374 0.000) 12.210 17.453 ( 9.862 -1.452 0.000) 9.969 17.544 ( 15.596 -2.212 0.000) 15.752 17.630 ( 8.332 -2.856 0.000) 8.808 18.765 ( 32.615 -42.023 0.000) 53.195 20.867 ( 0.455 5.211 0.000) 5.230 20.928 ( -0.497 4.419 0.000) 4.447 20.929 ( -0.384 4.377 0.000) 4.393 21.126 ( -14.837 14.903 0.000) 21.030 25.926 ( 2.578 -0.746 0.000) 2.684 26.009 ( 3.916 -1.098 0.000) 4.067 26.486 ( -6.022 -0.792 0.000) 6.073 26.532 ( -4.825 -1.103 0.000) 4.949 34.086 ( 36.786 -3.290 0.000) 36.933 36.022 ( 91.482 -88.120 0.000) 127.020 36.866 ( 3.795 -6.329 0.000) 7.380 37.032 ( -10.144 -8.113 0.000) 12.989 38.091 ( 3.350 0.832 0.000) 3.452 38.111 ( 3.588 3.489 0.000) 5.005 38.563 ( -3.471 3.996 0.000) 5.293 38.670 ( -9.764 8.204 0.000) 12.753 38.730 ( -3.950 -0.836 0.000) 4.037 39.643 ( 9.251 -6.559 0.000) 11.340 39.825 ( -21.715 -3.506 0.000) 21.996 40.856 ( 10.724 -44.346 0.000) 45.625 43.712 ( 25.726 -1.637 0.000) 25.778 43.894 ( 40.884 -5.167 0.000) 41.209 45.616 ( -9.558 -2.316 0.000) 9.834 46.559 ( -12.636 -8.153 0.000) 15.038 58.156 ( 38.931 -7.958 0.000) 39.736 60.252 ( 150.207 -139.168 0.000) 204.768 62.715 ( -28.379 -18.542 0.000) 33.899 64.136 ( -18.623 -25.513 0.000) 31.587 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.07 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 14.723 35.267 0.000) 38.217 1.411 ( 36.871 0.957 0.000) 36.883 1.758 ( 6.987 36.471 0.000) 37.135 2.077 ( -13.180 17.336 0.000) 21.777 2.397 ( -15.228 21.199 0.000) 26.101 2.698 ( 2.615 0.293 0.000) 2.631 2.931 ( 1.368 16.492 0.000) 16.549 2.977 ( -1.190 17.150 0.000) 17.192 3.108 ( 26.499 0.249 0.000) 26.500 3.386 ( 10.161 -3.184 0.000) 10.648 3.602 ( 0.814 8.660 0.000) 8.699 3.607 ( 4.649 15.697 0.000) 16.371 3.842 ( -1.760 -0.407 0.000) 1.806 3.976 ( 1.836 0.914 0.000) 2.051 4.278 ( 7.515 12.502 0.000) 14.587 4.326 ( 7.420 8.316 0.000) 11.146 4.445 ( 11.988 3.236 0.000) 12.418 4.475 ( -11.007 8.705 0.000) 14.033 4.506 ( 3.648 3.010 0.000) 4.729 4.615 ( -3.430 7.943 0.000) 8.652 4.703 ( 5.270 6.461 0.000) 8.338 4.764 ( -0.531 8.179 0.000) 8.196 4.821 ( 5.111 17.566 0.000) 18.294 4.991 ( 5.369 13.080 0.000) 14.140 5.047 ( 0.235 11.656 0.000) 11.658 5.284 ( -4.821 6.852 0.000) 8.378 5.480 ( -7.906 6.266 0.000) 10.088 5.648 ( 6.320 -1.661 0.000) 6.535 5.689 ( -17.810 -1.162 0.000) 17.848 5.823 ( 18.684 0.834 0.000) 18.702 6.237 ( -13.811 -1.755 0.000) 13.922 6.475 ( -6.226 0.001 0.000) 6.226 6.958 ( -3.736 -1.851 0.000) 4.169 6.963 ( -0.864 -3.348 0.000) 3.457 7.036 ( 6.857 -9.768 0.000) 11.934 7.098 ( 0.454 -5.004 0.000) 5.025 7.449 ( 9.978 -8.883 0.000) 13.359 7.584 ( -15.021 -4.827 0.000) 15.778 7.591 ( 6.087 -6.551 0.000) 8.942 7.770 ( 0.657 8.900 0.000) 8.924 7.974 ( -0.520 6.340 0.000) 6.362 8.028 ( 8.548 9.702 0.000) 12.930 8.095 ( 0.599 10.337 0.000) 10.354 8.298 ( -2.571 4.130 0.000) 4.865 8.574 ( 25.016 0.313 0.000) 25.018 9.508 ( 42.014 -2.423 0.000) 42.083 10.837 ( -66.416 -4.374 0.000) 66.560 11.575 ( -51.805 -5.838 0.000) 52.132 16.090 ( 5.117 -1.110 0.000) 5.236 16.187 ( 0.859 -1.157 0.000) 1.441 16.440 ( 7.438 -2.424 0.000) 7.823 16.472 ( 4.774 -3.006 0.000) 5.642 17.665 ( 10.641 -1.905 0.000) 10.810 17.791 ( 6.028 -3.115 0.000) 6.785 17.983 ( 27.201 -4.736 0.000) 27.611 18.894 ( -10.875 -20.653 0.000) 23.341 20.880 ( 0.787 5.044 0.000) 5.105 20.914 ( -0.839 4.584 0.000) 4.660 20.920 ( -0.403 4.822 0.000) 4.839 20.957 ( -4.091 9.958 0.000) 10.766 26.007 ( 5.731 -0.478 0.000) 5.751 26.115 ( 6.794 -1.038 0.000) 6.872 26.326 ( -9.376 -0.532 0.000) 9.391 26.414 ( -7.115 -0.965 0.000) 7.180 34.994 ( 52.083 -5.978 0.000) 52.425 36.680 ( -26.845 -8.333 0.000) 28.109 36.868 ( 16.181 -36.496 0.000) 39.922 36.954 ( 4.217 -9.321 0.000) 10.230 38.187 ( 6.313 1.851 0.000) 6.579 38.210 ( 6.364 3.411 0.000) 7.220 38.467 ( -6.325 4.140 0.000) 7.560 38.498 ( -8.078 6.194 0.000) 10.179 38.708 ( 3.544 -0.793 0.000) 3.631 39.337 ( -25.541 -2.917 0.000) 25.707 39.889 ( 15.686 -9.865 0.000) 18.530 40.672 ( -20.486 -27.545 0.000) 34.328 44.295 ( 31.652 -1.584 0.000) 31.692 44.786 ( 45.511 -8.510 0.000) 46.300 45.337 ( -19.016 -2.112 0.000) 19.133 46.192 ( -24.903 -7.921 0.000) 26.132 59.204 ( 65.703 -10.835 0.000) 66.590 61.874 ( -56.908 -17.281 0.000) 59.474 62.164 ( 61.205 -91.815 0.000) 110.345 63.673 ( -27.652 -33.483 0.000) 43.425 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.07 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -15.161 31.306 0.000) 34.784 1.631 ( 15.161 31.306 0.000) 34.784 2.094 ( -17.188 17.126 0.000) 24.263 2.094 ( 17.188 17.126 0.000) 24.263 2.172 ( -32.974 3.876 0.000) 33.201 2.172 ( 32.974 3.876 0.000) 33.201 2.953 ( -1.100 16.946 0.000) 16.981 2.953 ( 1.100 16.946 0.000) 16.981 3.567 ( -5.624 -1.954 0.000) 5.953 3.567 ( 5.624 -1.954 0.000) 5.953 3.649 ( -3.483 11.166 0.000) 11.696 3.649 ( 3.483 11.166 0.000) 11.696 3.836 ( -15.289 -0.878 0.000) 15.314 3.836 ( 15.289 -0.878 0.000) 15.314 4.327 ( -0.011 13.913 0.000) 13.913 4.327 ( 0.011 13.913 0.000) 13.913 4.453 ( -4.204 6.773 0.000) 7.972 4.453 ( 4.204 6.773 0.000) 7.972 4.555 ( -2.527 8.454 0.000) 8.824 4.555 ( 2.527 8.454 0.000) 8.824 4.754 ( -0.314 10.752 0.000) 10.756 4.754 ( 0.314 10.752 0.000) 10.756 5.119 ( -4.525 12.249 0.000) 13.058 5.119 ( 4.525 12.249 0.000) 13.058 5.220 ( -21.020 4.407 0.000) 21.477 5.220 ( 21.020 4.407 0.000) 21.477 5.322 ( -17.185 3.354 0.000) 17.509 5.322 ( 17.185 3.354 0.000) 17.509 5.904 ( -18.152 -1.681 0.000) 18.230 5.904 ( 18.152 -1.681 0.000) 18.230 6.221 ( -19.692 0.072 0.000) 19.692 6.221 ( 19.692 0.072 0.000) 19.692 6.913 ( -0.930 -2.658 0.000) 2.815 6.913 ( 0.930 -2.658 0.000) 2.815 7.133 ( -0.213 -8.978 0.000) 8.981 7.133 ( 0.213 -8.978 0.000) 8.981 7.390 ( -0.001 -4.630 0.000) 4.630 7.390 ( 0.001 -4.630 0.000) 4.630 7.768 ( -2.741 6.123 0.000) 6.709 7.768 ( 2.741 6.123 0.000) 6.709 8.002 ( -2.683 3.751 0.000) 4.612 8.002 ( 2.683 3.751 0.000) 4.612 8.225 ( -5.211 7.858 0.000) 9.428 8.225 ( 5.211 7.858 0.000) 9.428 9.518 ( -64.674 -3.735 0.000) 64.782 9.518 ( 64.674 -3.735 0.000) 64.782 10.498 ( -55.904 -5.703 0.000) 56.194 10.498 ( 55.904 -5.703 0.000) 56.194 16.167 ( -2.685 -1.176 0.000) 2.932 16.167 ( 2.685 -1.176 0.000) 2.932 16.516 ( -0.563 -2.638 0.000) 2.698 16.516 ( 0.563 -2.638 0.000) 2.698 17.816 ( -3.735 -2.607 0.000) 4.555 17.816 ( 3.735 -2.607 0.000) 4.555 18.516 ( -25.384 -9.857 0.000) 27.230 18.516 ( 25.384 -9.857 0.000) 27.230 20.897 ( -0.933 4.807 0.000) 4.897 20.897 ( 0.933 4.807 0.000) 4.897 20.919 ( -0.528 6.242 0.000) 6.264 20.919 ( 0.528 6.242 0.000) 6.264 26.147 ( -8.505 -0.362 0.000) 8.513 26.147 ( 8.505 -0.362 0.000) 8.513 26.263 ( -8.026 -0.977 0.000) 8.085 26.263 ( 8.026 -0.977 0.000) 8.085 35.970 ( -45.081 -7.818 0.000) 45.754 35.970 ( 45.081 -7.818 0.000) 45.754 37.000 ( -0.565 -16.877 0.000) 16.887 37.000 ( 0.565 -16.877 0.000) 16.887 38.326 ( -7.613 3.662 0.000) 8.448 38.326 ( 7.613 3.662 0.000) 8.448 38.348 ( -7.491 3.969 0.000) 8.478 38.348 ( 7.491 3.969 0.000) 8.478 38.908 ( -16.977 -1.956 0.000) 17.089 38.908 ( 16.977 -1.956 0.000) 17.089 40.249 ( -20.940 -15.920 0.000) 26.305 40.249 ( 20.940 -15.920 0.000) 26.305 44.881 ( -27.354 -1.819 0.000) 27.415 44.881 ( 27.354 -1.819 0.000) 27.415 45.592 ( -36.389 -7.965 0.000) 37.250 45.592 ( 36.389 -7.965 0.000) 37.250 60.584 ( -72.063 -14.353 0.000) 73.478 60.584 ( 72.063 -14.353 0.000) 73.478 63.061 ( -36.072 -52.497 0.000) 63.696 63.061 ( 36.072 -52.497 0.000) 63.696 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.000 25.348 0.000) 25.348 0.983 ( 0.000 25.895 0.000) 25.895 2.087 ( 0.000 25.051 0.000) 25.051 2.142 ( 0.000 28.099 0.000) 28.099 2.404 ( 0.000 40.804 0.000) 40.804 3.093 ( 0.000 0.121 0.000) 0.121 3.128 ( 0.000 32.110 0.000) 32.110 3.246 ( 0.000 4.079 0.000) 4.079 3.373 ( 0.000 15.866 0.000) 15.866 3.426 ( 0.000 21.720 0.000) 21.720 3.523 ( 0.000 32.129 0.000) 32.129 3.616 ( 0.000 17.669 0.000) 17.669 3.975 ( 0.000 11.246 0.000) 11.246 4.102 ( 0.000 2.871 0.000) 2.871 4.312 ( 0.000 -7.066 0.000) 7.066 4.451 ( 0.000 12.765 0.000) 12.765 4.519 ( 0.000 24.715 0.000) 24.715 4.619 ( 0.000 8.525 0.000) 8.525 4.624 ( 0.000 -0.381 0.000) 0.381 4.774 ( 0.000 8.468 0.000) 8.468 4.868 ( 0.000 3.076 0.000) 3.076 5.094 ( 0.000 21.815 0.000) 21.815 5.155 ( 0.000 19.408 0.000) 19.408 5.191 ( 0.000 6.979 0.000) 6.979 5.358 ( 0.000 8.232 0.000) 8.232 5.549 ( 0.000 -3.074 0.000) 3.074 5.669 ( 0.000 17.890 0.000) 17.890 5.871 ( 0.000 14.141 0.000) 14.141 6.076 ( 0.000 5.836 0.000) 5.836 6.095 ( 0.000 2.028 0.000) 2.028 6.356 ( 0.000 -1.089 0.000) 1.089 6.513 ( 0.000 4.784 0.000) 4.784 6.564 ( 0.000 0.196 0.000) 0.196 6.656 ( 0.000 -3.342 0.000) 3.342 6.706 ( 0.000 -9.462 0.000) 9.462 6.976 ( 0.000 -2.173 0.000) 2.173 7.030 ( 0.000 -5.340 0.000) 5.340 7.271 ( 0.000 -10.505 0.000) 10.505 7.777 ( 0.000 -3.697 0.000) 3.697 7.848 ( 0.000 1.490 0.000) 1.490 8.027 ( 0.000 -7.888 0.000) 7.888 8.205 ( 0.000 -3.942 0.000) 3.942 8.346 ( 0.000 5.406 0.000) 5.406 8.354 ( 0.000 2.985 0.000) 2.985 8.381 ( 0.000 11.486 0.000) 11.486 9.744 ( 0.000 0.852 0.000) 0.852 12.360 ( 0.000 -8.168 0.000) 8.168 12.534 ( 0.000 -10.198 0.000) 10.198 15.882 ( 0.000 -1.195 0.000) 1.195 15.935 ( 0.000 -1.471 0.000) 1.471 16.021 ( 0.000 -1.234 0.000) 1.234 16.113 ( 0.000 -1.686 0.000) 1.686 17.301 ( 0.000 -2.200 0.000) 2.200 17.360 ( 0.000 -2.454 0.000) 2.454 17.522 ( 0.000 -1.968 0.000) 1.968 17.686 ( 0.000 -4.259 0.000) 4.259 21.009 ( 0.000 8.654 0.000) 8.654 21.058 ( 0.000 7.693 0.000) 7.693 21.059 ( 0.000 7.719 0.000) 7.719 21.453 ( 0.000 1.698 0.000) 1.698 25.877 ( 0.000 -1.472 0.000) 1.472 25.938 ( 0.000 -1.863 0.000) 1.863 26.522 ( 0.000 -1.251 0.000) 1.251 26.550 ( 0.000 -1.973 0.000) 1.973 33.460 ( 0.000 -1.851 0.000) 1.851 33.669 ( 0.000 -2.580 0.000) 2.580 36.667 ( 0.000 -9.597 0.000) 9.597 36.910 ( 0.000 -12.355 0.000) 12.355 38.071 ( 0.000 0.478 0.000) 0.478 38.165 ( 0.000 4.836 0.000) 4.836 38.711 ( 0.000 6.779 0.000) 6.779 38.756 ( 0.000 -1.281 0.000) 1.281 38.892 ( 0.000 4.448 0.000) 4.448 39.393 ( 0.000 -9.391 0.000) 9.391 39.952 ( 0.000 -6.791 0.000) 6.791 40.262 ( 0.000 -9.053 0.000) 9.053 43.427 ( 0.000 -0.880 0.000) 0.880 43.456 ( 0.000 -0.434 0.000) 0.434 45.640 ( 0.000 -4.174 0.000) 4.174 46.452 ( 0.000 -13.574 0.000) 13.574 57.368 ( 0.000 -8.797 0.000) 8.797 57.610 ( 0.000 -10.266 0.000) 10.266 62.467 ( 0.000 -30.833 0.000) 30.833 63.665 ( 0.000 -39.640 0.000) 39.640 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.14 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 23.030 17.381 0.000) 28.853 1.627 ( 37.987 19.498 0.000) 42.699 2.301 ( 24.509 40.221 0.000) 47.100 2.436 ( 3.225 38.337 0.000) 38.472 2.644 ( 37.796 2.326 0.000) 37.867 2.856 ( -14.950 24.970 0.000) 29.103 3.208 ( 3.800 2.433 0.000) 4.512 3.224 ( -9.254 21.064 0.000) 23.007 3.404 ( -4.781 25.891 0.000) 26.329 3.455 ( 3.112 26.506 0.000) 26.688 3.534 ( 14.666 9.030 0.000) 17.223 3.717 ( 10.567 13.508 0.000) 17.150 3.993 ( -13.648 2.639 0.000) 13.901 4.080 ( -2.075 3.671 0.000) 4.216 4.262 ( 7.438 7.308 0.000) 10.428 4.374 ( 0.933 0.879 0.000) 1.281 4.527 ( 1.043 19.120 0.000) 19.148 4.688 ( 3.558 18.308 0.000) 18.650 4.690 ( 5.351 11.170 0.000) 12.386 4.835 ( -2.798 5.622 0.000) 6.280 4.899 ( 6.114 6.258 0.000) 8.749 5.064 ( -2.723 20.001 0.000) 20.185 5.093 ( -1.628 13.703 0.000) 13.800 5.243 ( 1.160 11.449 0.000) 11.508 5.352 ( -0.333 11.896 0.000) 11.901 5.482 ( -3.099 -0.926 0.000) 3.234 5.661 ( -0.442 14.511 0.000) 14.518 5.788 ( -8.352 9.813 0.000) 12.886 5.901 ( -11.110 13.286 0.000) 17.319 5.986 ( -9.220 5.054 0.000) 10.514 6.347 ( -2.977 -2.293 0.000) 3.758 6.550 ( -1.943 0.134 0.000) 1.948 6.613 ( 20.266 -4.245 0.000) 20.706 6.738 ( 4.185 -7.240 0.000) 8.362 6.899 ( 7.203 -3.220 0.000) 7.890 6.969 ( -1.187 -2.463 0.000) 2.734 7.137 ( -2.960 -7.565 0.000) 8.124 7.343 ( 17.016 -7.615 0.000) 18.642 7.713 ( -7.651 -4.792 0.000) 9.028 7.835 ( -0.664 0.439 0.000) 0.796 7.886 ( -1.947 -3.387 0.000) 3.907 8.254 ( -5.904 8.557 0.000) 10.396 8.266 ( -2.714 0.600 0.000) 2.779 8.421 ( 10.836 1.036 0.000) 10.886 8.431 ( 1.733 8.436 0.000) 8.613 9.381 ( -18.484 12.491 0.000) 22.309 11.847 ( -46.543 -7.833 0.000) 47.198 12.245 ( -31.019 -10.162 0.000) 32.641 15.947 ( 5.784 -1.627 0.000) 6.008 16.103 ( 4.645 -1.696 0.000) 4.945 16.195 ( 14.524 -6.471 0.000) 15.900 16.198 ( 8.819 -2.814 0.000) 9.257 17.412 ( 9.598 -2.365 0.000) 9.885 17.484 ( 13.532 -3.413 0.000) 13.956 17.563 ( 6.810 -3.366 0.000) 7.597 18.142 ( 28.800 -20.388 0.000) 35.286 21.013 ( 0.330 8.603 0.000) 8.609 21.055 ( -0.257 7.711 0.000) 7.715 21.056 ( -0.263 7.837 0.000) 7.842 21.331 ( -9.686 6.675 0.000) 11.764 25.905 ( 2.956 -1.218 0.000) 3.197 25.978 ( 3.972 -1.835 0.000) 4.376 26.465 ( -5.868 -1.184 0.000) 5.986 26.502 ( -4.451 -1.685 0.000) 4.759 33.992 ( 33.634 -5.655 0.000) 34.106 34.686 ( 87.345 -42.188 0.000) 96.999 36.686 ( 1.403 -10.901 0.000) 10.991 36.812 ( -10.617 -12.667 0.000) 16.528 38.104 ( 3.552 0.339 0.000) 3.568 38.201 ( 3.639 4.894 0.000) 6.098 38.676 ( -3.482 6.746 0.000) 7.592 38.714 ( -3.094 -0.540 0.000) 3.141 38.809 ( -7.602 6.079 0.000) 9.734 39.458 ( 6.301 -11.023 0.000) 12.696 39.723 ( -20.975 -6.249 0.000) 21.886 40.260 ( -2.691 -19.309 0.000) 19.496 43.679 ( 24.662 -1.554 0.000) 24.711 43.819 ( 33.466 -2.924 0.000) 33.593 45.549 ( -9.347 -4.045 0.000) 10.185 46.332 ( -12.222 -13.276 0.000) 18.045 57.920 ( 36.920 -14.784 0.000) 39.770 58.524 ( 93.647 -46.997 0.000) 104.779 62.196 ( -27.930 -30.763 0.000) 41.551 63.428 ( -23.483 -41.621 0.000) 47.788 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.14 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 32.105 8.646 0.000) 33.249 2.037 ( 12.266 30.571 0.000) 32.940 2.488 ( -4.198 23.362 0.000) 23.737 2.614 ( -3.102 40.864 0.000) 40.982 2.722 ( -13.760 4.809 0.000) 14.576 2.979 ( -13.033 29.875 0.000) 32.594 3.185 ( 32.668 11.252 0.000) 34.552 3.287 ( 3.754 1.993 0.000) 4.250 3.360 ( 2.887 18.370 0.000) 18.596 3.496 ( 2.651 24.332 0.000) 24.476 3.685 ( -3.738 7.731 0.000) 8.587 3.929 ( 7.462 12.468 0.000) 14.530 3.982 ( 6.879 7.679 0.000) 10.310 4.030 ( -2.728 5.865 0.000) 6.469 4.442 ( 16.075 2.785 0.000) 16.314 4.528 ( -1.940 7.677 0.000) 7.918 4.555 ( 9.889 7.836 0.000) 12.617 4.697 ( -3.035 13.476 0.000) 13.814 4.772 ( 5.811 22.440 0.000) 23.181 4.869 ( 5.265 17.113 0.000) 17.905 4.912 ( 1.163 11.900 0.000) 11.957 5.011 ( -1.973 16.448 0.000) 16.566 5.186 ( 2.557 8.619 0.000) 8.990 5.210 ( 7.153 18.646 0.000) 19.971 5.360 ( 1.479 17.330 0.000) 17.393 5.546 ( 1.999 11.222 0.000) 11.399 5.553 ( -14.959 -0.307 0.000) 14.962 5.622 ( 1.707 3.479 0.000) 3.875 5.796 ( -9.746 13.535 0.000) 16.679 5.887 ( 11.078 6.782 0.000) 12.989 6.187 ( -13.215 -2.908 0.000) 13.531 6.490 ( -5.694 1.867 0.000) 5.993 6.852 ( 6.455 -7.537 0.000) 9.923 6.877 ( 1.751 -4.782 0.000) 5.092 6.909 ( -4.906 -3.082 0.000) 5.794 6.979 ( -4.046 -5.507 0.000) 6.834 7.287 ( 17.687 -7.243 0.000) 19.113 7.451 ( 7.266 -6.601 0.000) 9.817 7.478 ( -14.152 -4.824 0.000) 14.952 7.837 ( 0.589 -1.253 0.000) 1.384 8.116 ( 2.666 1.468 0.000) 3.044 8.157 ( -4.211 8.440 0.000) 9.432 8.307 ( 20.328 5.409 0.000) 21.035 8.453 ( 0.918 11.180 0.000) 11.217 8.625 ( 12.048 5.121 0.000) 13.091 9.457 ( 29.202 -1.997 0.000) 29.270 10.714 ( -66.110 -7.364 0.000) 66.519 11.405 ( -52.069 -10.486 0.000) 53.115 16.058 ( 4.990 -1.924 0.000) 5.348 16.153 ( 0.671 -2.073 0.000) 2.179 16.369 ( 6.752 -4.322 0.000) 8.017 16.386 ( 5.852 -5.177 0.000) 7.814 17.614 ( 9.813 -2.953 0.000) 10.248 17.710 ( 6.107 -4.374 0.000) 7.512 17.858 ( 22.494 -6.969 0.000) 23.549 18.446 ( 1.492 -20.828 0.000) 20.881 21.021 ( 0.550 8.452 0.000) 8.469 21.046 ( -0.600 8.002 0.000) 8.025 21.055 ( 0.370 8.050 0.000) 8.059 21.164 ( -6.544 9.452 0.000) 11.497 25.994 ( 6.070 -0.757 0.000) 6.117 26.086 ( 6.904 -1.722 0.000) 7.116 26.313 ( -8.979 -0.750 0.000) 9.010 26.388 ( -7.098 -1.557 0.000) 7.267 34.829 ( 48.613 -9.660 0.000) 49.564 36.002 ( 44.422 -43.066 0.000) 61.871 36.453 ( -26.969 -13.161 0.000) 30.009 36.691 ( -2.194 -15.671 0.000) 15.824 38.218 ( 8.329 0.955 0.000) 8.383 38.303 ( 6.593 5.156 0.000) 8.370 38.578 ( -6.479 6.510 0.000) 9.185 38.632 ( -9.895 6.511 0.000) 11.845 38.697 ( 2.723 0.012 0.000) 2.723 39.254 ( -24.331 -5.013 0.000) 24.842 39.623 ( 10.358 -15.165 0.000) 18.365 40.111 ( -11.775 -24.537 0.000) 27.216 44.252 ( 31.246 -2.529 0.000) 31.348 44.607 ( 42.988 -8.380 0.000) 43.797 45.276 ( -18.625 -3.678 0.000) 18.985 45.976 ( -24.320 -12.471 0.000) 27.331 58.894 ( 60.898 -18.793 0.000) 63.732 60.383 ( 86.722 -73.532 0.000) 113.700 61.388 ( -53.842 -28.912 0.000) 61.114 62.788 ( -41.391 -49.505 0.000) 64.528 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.14 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -33.180 3.248 0.000) 33.339 2.159 ( 33.180 3.248 0.000) 33.339 2.273 ( -11.098 28.465 0.000) 30.552 2.273 ( 11.098 28.465 0.000) 30.552 2.744 ( -10.567 35.572 0.000) 37.109 2.744 ( 10.567 35.572 0.000) 37.109 3.334 ( -0.954 11.863 0.000) 11.901 3.334 ( 0.954 11.863 0.000) 11.901 3.580 ( -4.977 13.410 0.000) 14.304 3.580 ( 4.977 13.410 0.000) 14.304 3.808 ( -19.247 5.536 0.000) 20.027 3.808 ( 19.247 5.536 0.000) 20.027 4.020 ( -0.431 12.865 0.000) 12.872 4.020 ( 0.431 12.865 0.000) 12.872 4.530 ( -3.518 5.179 0.000) 6.261 4.530 ( 3.518 5.179 0.000) 6.261 4.654 ( -2.812 13.298 0.000) 13.593 4.654 ( 2.812 13.298 0.000) 13.593 4.886 ( -3.674 22.956 0.000) 23.249 4.886 ( 3.674 22.956 0.000) 23.249 5.022 ( -0.231 15.058 0.000) 15.060 5.022 ( 0.231 15.058 0.000) 15.060 5.228 ( -12.937 -0.072 0.000) 12.937 5.228 ( 12.937 -0.072 0.000) 12.937 5.449 ( -5.334 17.890 0.000) 18.668 5.449 ( 5.334 17.890 0.000) 18.668 5.570 ( -16.132 17.534 0.000) 23.825 5.570 ( 16.132 17.534 0.000) 23.825 5.860 ( -18.066 -2.273 0.000) 18.208 5.860 ( 18.066 -2.273 0.000) 18.208 6.232 ( -20.072 1.276 0.000) 20.113 6.232 ( 20.072 1.276 0.000) 20.113 6.847 ( -0.513 -3.153 0.000) 3.194 6.847 ( 0.513 -3.153 0.000) 3.194 6.947 ( -2.237 -8.725 0.000) 9.007 6.947 ( 2.237 -8.725 0.000) 9.007 7.300 ( -1.811 -3.608 0.000) 4.037 7.300 ( 1.811 -3.608 0.000) 4.037 7.790 ( -9.209 -3.167 0.000) 9.738 7.790 ( 9.209 -3.167 0.000) 9.738 8.095 ( -0.831 4.456 0.000) 4.533 8.095 ( 0.831 4.456 0.000) 4.533 8.473 ( -0.546 14.556 0.000) 14.566 8.473 ( 0.546 14.556 0.000) 14.566 9.414 ( -62.205 -6.003 0.000) 62.494 9.414 ( 62.205 -6.003 0.000) 62.494 10.335 ( -54.343 -9.935 0.000) 55.244 10.335 ( 54.343 -9.935 0.000) 55.244 16.133 ( -2.590 -2.098 0.000) 3.333 16.133 ( 2.590 -2.098 0.000) 3.333 16.439 ( -0.391 -4.786 0.000) 4.802 16.439 ( 0.391 -4.786 0.000) 4.802 17.747 ( -2.846 -3.897 0.000) 4.825 17.747 ( 2.846 -3.897 0.000) 4.825 18.269 ( -17.349 -13.141 0.000) 21.764 18.269 ( 17.349 -13.141 0.000) 21.764 21.033 ( -0.659 8.233 0.000) 8.260 21.033 ( 0.659 8.233 0.000) 8.260 21.079 ( -2.415 8.833 0.000) 9.157 21.079 ( 2.415 8.833 0.000) 9.157 26.138 ( -8.497 -0.528 0.000) 8.514 26.138 ( 8.497 -0.528 0.000) 8.514 26.236 ( -8.093 -1.604 0.000) 8.251 26.236 ( 8.093 -1.604 0.000) 8.251 35.755 ( -43.554 -12.516 0.000) 45.317 35.755 ( 43.554 -12.516 0.000) 45.317 36.543 ( -14.928 -26.107 0.000) 30.074 36.543 ( 14.928 -26.107 0.000) 30.074 38.414 ( -10.526 4.196 0.000) 11.331 38.414 ( 10.526 4.196 0.000) 11.331 38.449 ( -8.246 5.637 0.000) 9.988 38.449 ( 8.246 5.637 0.000) 9.988 38.860 ( -14.624 -2.384 0.000) 14.818 38.860 ( 14.624 -2.384 0.000) 14.818 39.856 ( -13.192 -20.563 0.000) 24.431 39.856 ( 13.192 -20.563 0.000) 24.431 44.829 ( -26.887 -3.144 0.000) 27.071 44.829 ( 26.887 -3.144 0.000) 27.071 45.388 ( -35.725 -11.168 0.000) 37.430 45.388 ( 35.725 -11.168 0.000) 37.430 60.177 ( -67.274 -24.381 0.000) 71.556 60.177 ( 67.274 -24.381 0.000) 71.556 61.807 ( -60.265 -63.573 0.000) 87.598 61.807 ( 60.265 -63.573 0.000) 87.598 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.21 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 28.783 0.000) 28.783 1.517 ( 0.000 25.880 0.000) 25.880 2.232 ( 0.000 6.912 0.000) 6.912 3.050 ( 0.000 42.002 0.000) 42.002 3.118 ( 0.000 2.621 0.000) 2.621 3.154 ( 0.000 31.727 0.000) 31.727 3.252 ( 0.000 -0.759 0.000) 0.759 3.577 ( 0.000 6.682 0.000) 6.682 3.799 ( 0.000 31.003 0.000) 31.003 3.931 ( 0.000 22.089 0.000) 22.089 4.110 ( 0.000 -2.028 0.000) 2.028 4.131 ( 0.000 28.876 0.000) 28.876 4.152 ( 0.000 -5.001 0.000) 5.001 4.165 ( 0.000 7.281 0.000) 7.281 4.214 ( 0.000 30.402 0.000) 30.402 4.589 ( 0.000 -2.294 0.000) 2.294 4.618 ( 0.000 8.160 0.000) 8.160 4.809 ( 0.000 7.845 0.000) 7.845 4.947 ( 0.000 15.919 0.000) 15.919 4.953 ( 0.000 5.390 0.000) 5.390 4.976 ( 0.000 8.798 0.000) 8.798 5.468 ( 0.000 3.005 0.000) 3.005 5.496 ( 0.000 0.912 0.000) 0.912 5.527 ( 0.000 24.158 0.000) 24.158 5.591 ( 0.000 18.221 0.000) 18.221 5.665 ( 0.000 32.360 0.000) 32.360 6.016 ( 0.000 14.390 0.000) 14.390 6.128 ( 0.000 0.001 0.000) 0.001 6.156 ( 0.000 12.077 0.000) 12.077 6.213 ( 0.000 7.915 0.000) 7.915 6.338 ( 0.000 -0.233 0.000) 0.233 6.500 ( 0.000 -5.424 0.000) 5.424 6.593 ( 0.000 -1.885 0.000) 1.885 6.655 ( 0.000 5.100 0.000) 5.100 6.695 ( 0.000 12.523 0.000) 12.523 6.896 ( 0.000 -7.511 0.000) 7.511 6.963 ( 0.000 1.831 0.000) 1.831 7.160 ( 0.000 1.093 0.000) 1.093 7.698 ( 0.000 -3.665 0.000) 3.665 7.822 ( 0.000 -2.905 0.000) 2.905 7.865 ( 0.000 -7.503 0.000) 7.503 8.106 ( 0.000 -5.503 0.000) 5.503 8.402 ( 0.000 1.376 0.000) 1.376 8.414 ( 0.000 1.122 0.000) 1.122 8.629 ( 0.000 11.334 0.000) 11.334 9.737 ( 0.000 -1.852 0.000) 1.852 12.175 ( 0.000 -9.599 0.000) 9.599 12.300 ( 0.000 -12.259 0.000) 12.259 15.855 ( 0.000 -1.332 0.000) 1.332 15.902 ( 0.000 -1.717 0.000) 1.717 15.994 ( 0.000 -1.409 0.000) 1.409 16.074 ( 0.000 -2.067 0.000) 2.067 17.253 ( 0.000 -2.371 0.000) 2.371 17.307 ( 0.000 -2.640 0.000) 2.640 17.478 ( 0.000 -2.259 0.000) 2.259 17.597 ( 0.000 -4.268 0.000) 4.268 21.200 ( 0.000 9.583 0.000) 9.583 21.237 ( 0.000 9.495 0.000) 9.495 21.238 ( 0.000 9.479 0.000) 9.479 21.496 ( 0.000 2.438 0.000) 2.438 25.845 ( 0.000 -1.582 0.000) 1.582 25.897 ( 0.000 -2.109 0.000) 2.109 26.494 ( 0.000 -1.377 0.000) 1.377 26.511 ( 0.000 -1.813 0.000) 1.813 33.419 ( 0.000 -2.082 0.000) 2.082 33.607 ( 0.000 -3.425 0.000) 3.425 36.449 ( 0.000 -11.293 0.000) 11.293 36.640 ( 0.000 -13.563 0.000) 13.563 38.074 ( 0.000 -0.233 0.000) 0.233 38.261 ( 0.000 4.278 0.000) 4.278 38.739 ( 0.000 -0.304 0.000) 0.304 38.864 ( 0.000 7.909 0.000) 7.909 38.996 ( 0.000 5.545 0.000) 5.545 39.180 ( 0.000 -10.907 0.000) 10.907 39.794 ( 0.000 -8.438 0.000) 8.438 40.050 ( 0.000 -11.297 0.000) 11.297 43.408 ( 0.000 -0.947 0.000) 0.947 43.445 ( 0.000 -0.603 0.000) 0.603 45.545 ( 0.000 -4.940 0.000) 4.940 46.153 ( 0.000 -14.967 0.000) 14.967 57.165 ( 0.000 -10.725 0.000) 10.725 57.371 ( 0.000 -12.718 0.000) 12.718 61.786 ( 0.000 -34.143 0.000) 34.143 62.781 ( 0.000 -44.893 0.000) 44.893 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.21 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 13.676 24.840 0.000) 28.357 2.023 ( 37.346 20.033 0.000) 42.380 2.712 ( 33.240 4.265 0.000) 33.513 3.005 ( -5.636 13.916 0.000) 15.014 3.121 ( 7.870 36.950 0.000) 37.779 3.282 ( 6.278 16.597 0.000) 17.744 3.398 ( 12.510 1.389 0.000) 12.587 3.434 ( -8.332 19.869 0.000) 21.545 3.805 ( -8.933 11.054 0.000) 14.213 3.959 ( 9.493 20.450 0.000) 22.546 3.974 ( -6.411 23.655 0.000) 24.509 4.111 ( -0.355 7.660 0.000) 7.668 4.133 ( 2.391 20.440 0.000) 20.579 4.152 ( 1.875 11.208 0.000) 11.363 4.318 ( -8.703 6.108 0.000) 10.633 4.487 ( 13.221 9.176 0.000) 16.093 4.776 ( -5.120 7.594 0.000) 9.159 4.920 ( 1.092 9.106 0.000) 9.171 4.928 ( 15.620 2.812 0.000) 15.872 5.029 ( 7.462 7.660 0.000) 10.694 5.064 ( 6.094 14.286 0.000) 15.532 5.397 ( -6.565 8.741 0.000) 10.932 5.443 ( -1.958 8.625 0.000) 8.845 5.503 ( -1.134 12.895 0.000) 12.944 5.620 ( 0.052 21.160 0.000) 21.160 5.685 ( 1.730 28.200 0.000) 28.253 5.961 ( -3.204 12.776 0.000) 13.172 5.962 ( -14.868 8.363 0.000) 17.059 6.144 ( -2.440 10.182 0.000) 10.470 6.213 ( -2.571 12.925 0.000) 13.179 6.300 ( -4.837 -1.231 0.000) 4.991 6.531 ( 10.789 -3.783 0.000) 11.433 6.532 ( 2.666 -1.912 0.000) 3.281 6.690 ( 2.925 3.261 0.000) 4.381 6.857 ( 3.988 -0.264 0.000) 3.997 6.941 ( -2.721 0.503 0.000) 2.767 7.068 ( 0.906 2.052 0.000) 2.243 7.204 ( 14.054 -4.873 0.000) 14.875 7.626 ( -7.776 -3.168 0.000) 8.396 7.796 ( -1.893 -3.372 0.000) 3.867 7.809 ( 3.317 -3.707 0.000) 4.974 8.202 ( 4.303 -5.461 0.000) 6.952 8.362 ( -3.639 2.543 0.000) 4.440 8.449 ( 6.605 0.713 0.000) 6.644 8.652 ( 2.139 11.133 0.000) 11.337 9.546 ( -13.931 3.945 0.000) 14.478 11.670 ( -45.662 -8.991 0.000) 46.539 12.010 ( -31.396 -12.419 0.000) 33.763 15.911 ( 5.209 -1.760 0.000) 5.498 16.063 ( 4.121 -2.088 0.000) 4.620 16.078 ( 12.642 -4.940 0.000) 13.573 16.135 ( 6.473 -3.271 0.000) 7.252 17.361 ( 9.438 -2.553 0.000) 9.777 17.413 ( 11.226 -3.394 0.000) 11.728 17.501 ( 4.954 -2.598 0.000) 5.593 17.837 ( 17.283 -10.986 0.000) 20.479 21.203 ( 0.275 9.587 0.000) 9.591 21.233 ( -0.227 9.374 0.000) 9.376 21.238 ( -0.149 9.580 0.000) 9.581 21.441 ( -4.944 4.550 0.000) 6.719 25.879 ( 3.454 -1.308 0.000) 3.693 25.937 ( 4.067 -2.059 0.000) 4.558 26.440 ( -5.480 -1.173 0.000) 5.604 26.467 ( -4.220 -1.689 0.000) 4.546 33.862 ( 31.073 -6.883 0.000) 31.826 34.111 ( 54.797 -17.831 0.000) 57.625 36.438 ( -1.678 -12.749 0.000) 12.859 36.536 ( -11.250 -13.858 0.000) 17.850 38.100 ( 3.059 -0.733 0.000) 3.146 38.298 ( 3.712 4.212 0.000) 5.614 38.715 ( -1.516 0.745 0.000) 1.689 38.828 ( -3.678 7.782 0.000) 8.607 38.933 ( -6.348 6.051 0.000) 8.770 39.215 ( 3.331 -12.202 0.000) 12.648 39.578 ( -19.786 -7.701 0.000) 21.232 39.932 ( -10.871 -14.023 0.000) 17.743 43.648 ( 23.213 -1.489 0.000) 23.261 43.762 ( 29.105 -2.689 0.000) 29.229 45.457 ( -9.042 -4.779 0.000) 10.228 46.042 ( -11.437 -14.519 0.000) 18.482 57.578 ( 35.034 -17.333 0.000) 39.088 57.870 ( 53.274 -22.652 0.000) 57.890 61.518 ( -27.277 -33.915 0.000) 43.523 62.514 ( -26.939 -45.822 0.000) 53.154 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.21 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 23.925 16.860 0.000) 29.269 2.530 ( 12.691 18.032 0.000) 22.050 2.852 ( -16.847 8.387 0.000) 18.819 2.905 ( -5.266 17.092 0.000) 17.885 3.256 ( -4.185 7.064 0.000) 8.211 3.342 ( -5.904 6.131 0.000) 8.511 3.459 ( 7.245 28.856 0.000) 29.752 3.545 ( 25.820 15.372 0.000) 30.049 3.786 ( -4.003 31.835 0.000) 32.086 4.014 ( 8.409 9.020 0.000) 12.332 4.031 ( -0.735 6.712 0.000) 6.752 4.090 ( -0.882 25.728 0.000) 25.743 4.168 ( -2.912 20.763 0.000) 20.966 4.297 ( 10.429 15.819 0.000) 18.947 4.495 ( 23.494 4.649 0.000) 23.949 4.623 ( -9.180 4.489 0.000) 10.218 4.692 ( 8.177 2.922 0.000) 8.684 4.932 ( -1.333 5.840 0.000) 5.990 5.155 ( 4.884 11.405 0.000) 12.406 5.183 ( 11.079 13.210 0.000) 17.241 5.210 ( 8.559 14.910 0.000) 17.192 5.414 ( -0.954 17.200 0.000) 17.226 5.437 ( 9.079 12.632 0.000) 15.557 5.529 ( 2.929 9.113 0.000) 9.572 5.607 ( 6.992 11.341 0.000) 13.323 5.622 ( -16.400 9.951 0.000) 19.183 5.742 ( 1.861 22.206 0.000) 22.284 5.897 ( -3.791 15.023 0.000) 15.494 6.120 ( -10.171 2.010 0.000) 10.367 6.125 ( 2.227 15.033 0.000) 15.197 6.145 ( -7.753 13.255 0.000) 15.356 6.559 ( -3.116 4.196 0.000) 5.227 6.735 ( 0.944 -3.206 0.000) 3.342 6.761 ( 4.684 -6.841 0.000) 8.291 6.845 ( -5.391 -2.675 0.000) 6.018 6.946 ( -6.272 3.865 0.000) 7.367 7.152 ( 21.432 -5.448 0.000) 22.114 7.335 ( 5.648 -4.261 0.000) 7.075 7.419 ( -11.199 0.092 0.000) 11.199 7.770 ( -1.120 -4.750 0.000) 4.880 8.107 ( 8.080 -1.893 0.000) 8.299 8.271 ( -5.667 2.977 0.000) 6.402 8.326 ( 23.971 -2.112 0.000) 24.064 8.705 ( 3.076 11.708 0.000) 12.105 8.721 ( 16.882 2.617 0.000) 17.084 9.438 ( 10.375 -0.088 0.000) 10.375 10.552 ( -65.338 -7.951 0.000) 65.820 11.160 ( -52.395 -12.980 0.000) 53.978 16.015 ( 4.688 -2.243 0.000) 5.197 16.105 ( 0.408 -2.562 0.000) 2.594 16.269 ( 5.584 -5.237 0.000) 7.656 16.270 ( 6.275 -5.959 0.000) 8.654 17.552 ( 8.976 -2.925 0.000) 9.440 17.625 ( 5.729 -3.743 0.000) 6.844 17.716 ( 17.572 -6.589 0.000) 18.766 18.080 ( 4.974 -14.843 0.000) 15.654 21.210 ( 0.447 9.599 0.000) 9.609 21.229 ( -0.353 9.502 0.000) 9.508 21.237 ( 0.458 9.375 0.000) 9.387 21.337 ( -4.936 7.562 0.000) 9.030 25.978 ( 6.546 -0.782 0.000) 6.593 26.048 ( 7.069 -1.908 0.000) 7.322 26.298 ( -8.522 -0.670 0.000) 8.549 26.354 ( -7.118 -1.670 0.000) 7.311 34.618 ( 44.378 -10.514 0.000) 45.606 35.228 ( 51.337 -31.468 0.000) 60.214 36.166 ( -27.188 -14.292 0.000) 30.716 36.342 ( -9.770 -17.710 0.000) 20.226 38.216 ( 9.485 -1.172 0.000) 9.557 38.404 ( 7.108 4.352 0.000) 8.335 38.719 ( 2.555 2.158 0.000) 3.344 38.720 ( -7.726 6.913 0.000) 10.368 38.759 ( -11.112 5.683 0.000) 12.481 39.144 ( -21.520 -5.369 0.000) 22.180 39.306 ( 6.124 -14.974 0.000) 16.178 39.687 ( -12.952 -17.360 0.000) 21.659 44.196 ( 30.296 -2.762 0.000) 30.421 44.449 ( 38.170 -7.019 0.000) 38.810 45.192 ( -18.069 -4.328 0.000) 18.580 45.708 ( -22.795 -13.182 0.000) 26.332 58.468 ( 55.057 -21.853 0.000) 59.235 59.197 ( 75.293 -44.428 0.000) 87.423 60.748 ( -50.332 -32.062 0.000) 59.676 61.760 ( -49.470 -48.885 0.000) 69.548 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.21 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -28.039 9.399 0.000) 29.573 2.289 ( 28.039 9.399 0.000) 29.573 2.782 ( -7.030 21.431 0.000) 22.554 2.782 ( 7.030 21.431 0.000) 22.554 3.245 ( -2.846 5.547 0.000) 6.235 3.245 ( 2.846 5.547 0.000) 6.235 3.611 ( -7.908 25.419 0.000) 26.621 3.611 ( 7.908 25.419 0.000) 26.621 3.951 ( -8.708 8.596 0.000) 12.236 3.951 ( 8.708 8.596 0.000) 12.236 4.093 ( -0.781 28.940 0.000) 28.951 4.093 ( 0.781 28.940 0.000) 28.951 4.270 ( -12.882 13.196 0.000) 18.442 4.270 ( 12.882 13.196 0.000) 18.442 4.602 ( -6.037 3.138 0.000) 6.804 4.602 ( 6.037 3.138 0.000) 6.804 4.856 ( -6.479 3.492 0.000) 7.360 4.856 ( 6.479 3.492 0.000) 7.360 5.305 ( -12.571 12.360 0.000) 17.629 5.305 ( 12.571 12.360 0.000) 17.629 5.355 ( -2.281 16.685 0.000) 16.840 5.355 ( 2.281 16.685 0.000) 16.840 5.415 ( -1.615 21.234 0.000) 21.295 5.415 ( 1.615 21.234 0.000) 21.295 5.784 ( -13.678 4.254 0.000) 14.324 5.784 ( 13.678 4.254 0.000) 14.324 5.824 ( -2.892 13.959 0.000) 14.255 5.824 ( 2.892 13.959 0.000) 14.255 5.965 ( -16.028 15.309 0.000) 22.165 5.965 ( 16.028 15.309 0.000) 22.165 6.285 ( -16.892 4.615 0.000) 17.511 6.285 ( 16.892 4.615 0.000) 17.511 6.782 ( -2.657 -7.163 0.000) 7.639 6.782 ( 2.657 -7.163 0.000) 7.639 6.824 ( -3.000 1.831 0.000) 3.515 6.824 ( 3.000 1.831 0.000) 3.515 7.272 ( -3.425 1.952 0.000) 3.942 7.272 ( 3.425 1.952 0.000) 3.942 7.681 ( -11.904 -6.894 0.000) 13.756 7.681 ( 11.904 -6.894 0.000) 13.756 8.160 ( -4.261 1.551 0.000) 4.535 8.160 ( 4.261 1.551 0.000) 4.535 8.745 ( -1.585 10.580 0.000) 10.698 8.745 ( 1.585 10.580 0.000) 10.698 9.294 ( -57.006 -5.062 0.000) 57.230 9.294 ( 57.006 -5.062 0.000) 57.230 10.107 ( -51.129 -11.921 0.000) 52.500 10.107 ( 51.129 -11.921 0.000) 52.500 16.084 ( -2.409 -2.557 0.000) 3.513 16.084 ( 2.409 -2.557 0.000) 3.513 16.327 ( -0.161 -5.935 0.000) 5.937 16.327 ( 0.161 -5.935 0.000) 5.937 17.667 ( -2.042 -3.636 0.000) 4.170 17.667 ( 2.042 -3.636 0.000) 4.170 18.012 ( -10.903 -11.392 0.000) 15.769 18.012 ( 10.903 -11.392 0.000) 15.769 21.220 ( -0.519 9.602 0.000) 9.616 21.220 ( 0.519 9.602 0.000) 9.616 21.264 ( -2.486 8.930 0.000) 9.269 21.264 ( 2.486 8.930 0.000) 9.269 26.127 ( -8.543 -0.483 0.000) 8.557 26.127 ( 8.543 -0.483 0.000) 8.557 26.201 ( -8.206 -1.753 0.000) 8.391 26.201 ( 8.206 -1.753 0.000) 8.391 35.483 ( -41.669 -13.540 0.000) 43.814 35.483 ( 41.669 -13.540 0.000) 43.814 35.995 ( -27.395 -26.080 0.000) 37.824 35.995 ( 27.395 -26.080 0.000) 37.824 38.471 ( -15.497 0.889 0.000) 15.522 38.471 ( 15.497 0.889 0.000) 15.522 38.566 ( -9.077 5.348 0.000) 10.535 38.566 ( 9.077 5.348 0.000) 10.535 38.833 ( -9.930 0.388 0.000) 9.937 38.833 ( 9.930 0.388 0.000) 9.937 39.460 ( -9.852 -17.334 0.000) 19.938 39.460 ( 9.852 -17.334 0.000) 19.938 44.758 ( -26.169 -3.657 0.000) 26.423 44.758 ( 26.169 -3.657 0.000) 26.423 45.159 ( -33.082 -10.812 0.000) 34.804 45.159 ( 33.082 -10.812 0.000) 34.804 59.633 ( -61.413 -27.589 0.000) 67.325 59.633 ( 61.413 -27.589 0.000) 67.325 60.614 ( -67.213 -51.393 0.000) 84.610 60.614 ( 67.213 -51.393 0.000) 84.610 ======================= Grid point 28 (17/96) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 29.663 0.000) 29.663 2.025 ( 0.000 23.291 0.000) 23.291 2.383 ( 0.000 7.613 0.000) 7.613 3.201 ( 0.000 5.313 0.000) 5.313 3.229 ( 0.000 -1.444 0.000) 1.444 3.684 ( 0.000 19.641 0.000) 19.641 3.699 ( 0.000 5.629 0.000) 5.629 3.803 ( 0.000 29.582 0.000) 29.582 3.998 ( 0.000 -6.546 0.000) 6.546 4.021 ( 0.000 -6.076 0.000) 6.076 4.210 ( 0.000 5.874 0.000) 5.874 4.299 ( 0.000 5.988 0.000) 5.988 4.304 ( 0.000 16.010 0.000) 16.010 4.517 ( 0.000 -2.537 0.000) 2.537 4.713 ( 0.000 26.939 0.000) 26.939 4.844 ( 0.000 24.720 0.000) 24.720 4.860 ( 0.000 12.123 0.000) 12.123 4.930 ( 0.000 3.594 0.000) 3.594 5.057 ( 0.000 8.081 0.000) 8.081 5.189 ( 0.000 8.488 0.000) 8.488 5.191 ( 0.000 12.300 0.000) 12.300 5.567 ( 0.000 8.507 0.000) 8.507 5.569 ( 0.000 7.814 0.000) 7.814 5.833 ( 0.000 1.810 0.000) 1.810 5.932 ( 0.000 10.104 0.000) 10.104 6.181 ( 0.000 7.671 0.000) 7.671 6.187 ( 0.000 6.344 0.000) 6.344 6.288 ( 0.000 -0.766 0.000) 0.766 6.314 ( 0.000 18.786 0.000) 18.786 6.350 ( 0.000 5.578 0.000) 5.578 6.445 ( 0.000 21.714 0.000) 21.714 6.491 ( 0.000 4.834 0.000) 4.834 6.590 ( 0.000 0.879 0.000) 0.879 6.715 ( 0.000 -8.305 0.000) 8.305 6.855 ( 0.000 13.409 0.000) 13.409 7.018 ( 0.000 17.130 0.000) 17.130 7.066 ( 0.000 7.230 0.000) 7.230 7.347 ( 0.000 16.326 0.000) 16.326 7.658 ( 0.000 1.121 0.000) 1.121 7.732 ( 0.000 -5.309 0.000) 5.309 7.761 ( 0.000 -2.408 0.000) 2.408 7.988 ( 0.000 -5.828 0.000) 5.828 8.392 ( 0.000 -3.073 0.000) 3.073 8.402 ( 0.000 -1.510 0.000) 1.510 8.812 ( 0.000 6.067 0.000) 6.067 9.659 ( 0.000 -6.038 0.000) 6.038 11.982 ( 0.000 -8.965 0.000) 8.965 12.052 ( 0.000 -11.520 0.000) 11.520 15.830 ( 0.000 -1.132 0.000) 1.132 15.868 ( 0.000 -1.617 0.000) 1.617 15.966 ( 0.000 -1.233 0.000) 1.233 16.031 ( 0.000 -2.082 0.000) 2.082 17.208 ( 0.000 -1.931 0.000) 1.931 17.255 ( 0.000 -2.315 0.000) 2.315 17.433 ( 0.000 -1.997 0.000) 1.997 17.517 ( 0.000 -3.554 0.000) 3.554 21.388 ( 0.000 8.460 0.000) 8.460 21.434 ( 0.000 9.391 0.000) 9.391 21.434 ( 0.000 9.357 0.000) 9.357 21.551 ( 0.000 2.854 0.000) 2.854 25.815 ( 0.000 -1.307 0.000) 1.307 25.855 ( 0.000 -1.919 0.000) 1.919 26.468 ( 0.000 -1.151 0.000) 1.151 26.479 ( 0.000 -1.302 0.000) 1.302 33.379 ( 0.000 -1.801 0.000) 1.801 33.532 ( 0.000 -3.751 0.000) 3.751 36.222 ( 0.000 -10.450 0.000) 10.450 36.370 ( 0.000 -12.453 0.000) 12.453 38.064 ( 0.000 -0.567 0.000) 0.567 38.328 ( 0.000 1.805 0.000) 1.805 38.744 ( 0.000 0.739 0.000) 0.739 38.969 ( 0.000 -9.103 0.000) 9.103 39.024 ( 0.000 7.458 0.000) 7.458 39.112 ( 0.000 5.547 0.000) 5.547 39.619 ( 0.000 -8.337 0.000) 8.337 39.814 ( 0.000 -11.396 0.000) 11.396 43.390 ( 0.000 -0.725 0.000) 0.725 43.432 ( 0.000 -0.738 0.000) 0.738 45.446 ( 0.000 -4.520 0.000) 4.520 45.859 ( 0.000 -13.372 0.000) 13.372 56.945 ( 0.000 -10.376 0.000) 10.376 57.106 ( 0.000 -12.728 0.000) 12.728 61.124 ( 0.000 -29.471 0.000) 29.471 61.888 ( 0.000 -41.203 0.000) 41.203 ======================= Grid point 29 (18/96) ======================= q-point: ( 0.17 0.29 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 7.853 27.402 0.000) 28.505 2.443 ( 31.883 20.541 0.000) 37.927 2.813 ( 29.120 5.464 0.000) 29.628 3.173 ( -1.731 6.269 0.000) 6.504 3.378 ( 13.265 -1.810 0.000) 13.388 3.535 ( -9.040 8.378 0.000) 12.326 3.734 ( -4.657 19.113 0.000) 19.673 3.820 ( 5.775 13.323 0.000) 14.521 3.993 ( -6.233 9.289 0.000) 11.186 4.076 ( 7.932 -2.897 0.000) 8.444 4.091 ( 6.016 0.467 0.000) 6.034 4.330 ( 3.224 11.631 0.000) 12.070 4.415 ( 8.806 10.717 0.000) 13.871 4.612 ( 2.000 9.065 0.000) 9.283 4.699 ( -1.025 26.558 0.000) 26.578 4.746 ( -3.605 17.663 0.000) 18.027 4.943 ( 0.432 5.090 0.000) 5.108 5.010 ( 12.288 7.971 0.000) 14.647 5.048 ( -8.026 8.272 0.000) 11.525 5.164 ( 8.833 6.050 0.000) 10.706 5.317 ( 6.935 10.435 0.000) 12.529 5.524 ( -3.744 11.126 0.000) 11.739 5.608 ( 3.699 9.412 0.000) 10.112 5.775 ( -1.535 5.619 0.000) 5.825 5.993 ( -1.480 12.329 0.000) 12.418 6.086 ( -10.729 2.202 0.000) 10.953 6.214 ( -3.631 11.933 0.000) 12.474 6.223 ( 8.154 8.758 0.000) 11.967 6.326 ( -3.849 7.816 0.000) 8.712 6.329 ( 0.956 14.768 0.000) 14.799 6.466 ( -2.167 -2.520 0.000) 3.324 6.471 ( 1.240 12.365 0.000) 12.427 6.533 ( 3.803 6.054 0.000) 7.149 6.854 ( -0.131 12.307 0.000) 12.308 6.871 ( 5.853 -0.953 0.000) 5.930 7.005 ( -6.927 4.898 0.000) 8.484 7.140 ( 9.083 7.214 0.000) 11.599 7.318 ( -2.254 15.355 0.000) 15.519 7.621 ( -3.695 4.002 0.000) 5.447 7.722 ( -3.325 -3.216 0.000) 4.626 7.752 ( 8.082 -1.376 0.000) 8.198 8.076 ( 5.866 -6.475 0.000) 8.737 8.374 ( -2.921 -1.344 0.000) 3.215 8.430 ( 5.882 -2.619 0.000) 6.439 8.834 ( 2.158 5.980 0.000) 6.357 9.554 ( -8.696 -2.986 0.000) 9.194 11.494 ( -44.141 -7.932 0.000) 44.848 11.755 ( -32.214 -12.056 0.000) 34.396 15.878 ( 4.573 -1.452 0.000) 4.798 15.990 ( 9.628 -3.709 0.000) 10.318 16.020 ( 3.417 -2.044 0.000) 3.982 16.069 ( 4.091 -3.041 0.000) 5.097 17.312 ( 9.365 -2.137 0.000) 9.606 17.350 ( 9.504 -2.656 0.000) 9.869 17.457 ( 4.025 -1.714 0.000) 4.375 17.658 ( 10.816 -6.894 0.000) 12.826 21.391 ( 0.347 8.521 0.000) 8.528 21.426 ( -0.432 9.217 0.000) 9.227 21.435 ( -0.165 9.356 0.000) 9.357 21.527 ( -2.219 3.940 0.000) 4.522 25.854 ( 3.931 -1.084 0.000) 4.077 25.897 ( 4.195 -1.848 0.000) 4.584 26.418 ( -4.996 -0.898 0.000) 5.077 26.435 ( -4.208 -1.334 0.000) 4.415 33.723 ( 29.224 -6.187 0.000) 29.872 33.854 ( 34.570 -8.843 0.000) 35.683 36.183 ( -4.700 -11.770 0.000) 12.674 36.262 ( -11.688 -12.587 0.000) 17.177 38.079 ( 2.037 -1.193 0.000) 2.361 38.358 ( 3.243 1.246 0.000) 3.474 38.742 ( 0.366 1.756 0.000) 1.794 38.984 ( -4.159 7.204 0.000) 8.319 38.986 ( 1.762 -9.423 0.000) 9.586 39.053 ( -6.160 5.605 0.000) 8.329 39.419 ( -18.129 -7.463 0.000) 19.605 39.666 ( -13.319 -11.972 0.000) 17.908 43.620 ( 21.951 -1.194 0.000) 21.984 43.710 ( 25.777 -2.437 0.000) 25.892 45.361 ( -8.710 -4.365 0.000) 9.742 45.758 ( -10.435 -12.885 0.000) 16.580 57.252 ( 29.703 -14.102 0.000) 32.881 57.475 ( 37.412 -16.853 0.000) 41.033 60.861 ( -26.449 -29.114 0.000) 39.335 61.612 ( -27.763 -41.113 0.000) 49.609 ======================= Grid point 30 (19/96) ======================= q-point: ( 0.33 0.29 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 15.825 21.480 0.000) 26.680 2.820 ( 0.864 11.492 0.000) 11.524 3.063 ( -0.430 11.357 0.000) 11.365 3.169 ( 1.499 8.608 0.000) 8.738 3.355 ( -8.709 5.963 0.000) 10.555 3.404 ( -6.293 2.588 0.000) 6.805 3.831 ( 7.900 9.247 0.000) 12.162 3.894 ( 1.752 7.196 0.000) 7.406 4.061 ( 17.941 3.438 0.000) 18.267 4.201 ( 4.651 15.845 0.000) 16.514 4.423 ( -3.931 23.871 0.000) 24.192 4.456 ( 9.134 1.721 0.000) 9.295 4.573 ( 15.400 5.966 0.000) 16.515 4.684 ( -0.579 25.444 0.000) 25.450 4.718 ( 0.441 14.993 0.000) 14.999 4.744 ( 19.435 13.632 0.000) 23.739 4.848 ( -11.211 14.064 0.000) 17.985 4.941 ( -1.907 0.490 0.000) 1.969 5.229 ( 10.426 -0.252 0.000) 10.429 5.459 ( 19.968 -1.832 0.000) 20.051 5.476 ( 9.233 10.798 0.000) 14.207 5.517 ( 9.440 17.910 0.000) 20.246 5.689 ( 3.713 10.294 0.000) 10.944 5.776 ( 0.612 7.872 0.000) 7.895 5.833 ( -13.851 9.209 0.000) 16.633 5.877 ( -7.803 11.602 0.000) 13.982 6.089 ( -10.534 3.178 0.000) 11.003 6.265 ( -1.986 18.725 0.000) 18.830 6.283 ( -1.034 20.702 0.000) 20.728 6.401 ( 2.742 9.925 0.000) 10.297 6.451 ( -2.305 9.454 0.000) 9.731 6.621 ( 11.140 -5.153 0.000) 12.274 6.624 ( 3.647 6.969 0.000) 7.865 6.733 ( -18.719 0.028 0.000) 18.719 6.876 ( 0.372 9.023 0.000) 9.031 7.068 ( 12.522 0.032 0.000) 12.522 7.103 ( -0.001 5.118 0.000) 5.118 7.361 ( 3.620 10.475 0.000) 11.083 7.522 ( -5.689 10.243 0.000) 11.717 7.662 ( -2.978 -5.120 0.000) 5.923 8.058 ( 8.252 -2.593 0.000) 8.650 8.254 ( 25.175 -4.248 0.000) 25.531 8.285 ( -6.180 -1.553 0.000) 6.372 8.722 ( 24.150 -2.063 0.000) 24.238 8.888 ( 2.915 5.603 0.000) 6.316 9.426 ( -0.432 -1.862 0.000) 1.911 10.406 ( -63.565 -6.020 0.000) 63.850 10.891 ( -52.851 -12.961 0.000) 54.417 15.970 ( 4.216 -2.000 0.000) 4.666 16.052 ( 0.156 -2.516 0.000) 2.521 16.151 ( 5.684 -5.495 0.000) 7.906 16.163 ( 4.099 -5.014 0.000) 6.477 17.498 ( 8.479 -2.216 0.000) 8.764 17.562 ( 5.129 -2.372 0.000) 5.651 17.597 ( 13.763 -4.911 0.000) 14.613 17.832 ( 4.969 -9.598 0.000) 10.808 21.400 ( 0.577 8.698 0.000) 8.717 21.420 ( -0.160 8.896 0.000) 8.897 21.429 ( -0.287 9.098 0.000) 9.103 21.477 ( -2.564 6.125 0.000) 6.640 25.963 ( 7.036 -0.627 0.000) 7.064 26.011 ( 7.258 -1.680 0.000) 7.450 26.286 ( -8.123 -0.469 0.000) 8.137 26.322 ( -7.186 -1.406 0.000) 7.322 34.413 ( 40.528 -9.170 0.000) 41.552 34.711 ( 46.609 -19.686 0.000) 50.596 35.886 ( -27.182 -12.689 0.000) 29.998 35.994 ( -16.104 -15.772 0.000) 22.541 38.179 ( 9.161 -2.180 0.000) 9.416 38.460 ( 7.391 0.483 0.000) 7.407 38.778 ( 3.523 3.376 0.000) 4.879 38.828 ( -16.524 2.042 0.000) 16.649 38.862 ( -10.346 4.758 0.000) 11.388 39.043 ( 4.392 -9.845 0.000) 10.780 39.063 ( -13.969 -1.545 0.000) 14.054 39.385 ( -13.679 -12.212 0.000) 18.337 44.143 ( 29.135 -2.356 0.000) 29.230 44.319 ( 33.951 -5.735 0.000) 34.432 45.106 ( -17.466 -3.931 0.000) 17.903 45.453 ( -20.777 -11.433 0.000) 23.715 58.040 ( 49.480 -18.997 0.000) 53.002 58.470 ( 60.899 -28.415 0.000) 67.202 60.128 ( -47.254 -27.447 0.000) 54.647 60.839 ( -50.312 -40.453 0.000) 64.558 ======================= Grid point 31 (20/96) ======================= q-point: (-0.50 0.29 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -20.678 14.031 0.000) 24.989 2.533 ( 20.678 14.031 0.000) 24.989 3.153 ( -6.145 14.424 0.000) 15.679 3.153 ( 6.145 14.424 0.000) 15.679 3.285 ( -4.282 1.867 0.000) 4.671 3.285 ( 4.282 1.867 0.000) 4.671 3.898 ( -1.175 3.017 0.000) 3.238 3.898 ( 1.175 3.017 0.000) 3.238 4.288 ( -4.268 19.717 0.000) 20.174 4.288 ( 4.268 19.717 0.000) 20.174 4.497 ( -15.595 6.815 0.000) 17.019 4.497 ( 15.595 6.815 0.000) 17.019 4.634 ( -1.439 14.970 0.000) 15.039 4.634 ( 1.440 14.970 0.000) 15.039 4.726 ( -0.649 13.934 0.000) 13.949 4.726 ( 0.649 13.934 0.000) 13.949 4.912 ( -0.686 8.741 0.000) 8.768 4.912 ( 0.686 8.741 0.000) 8.768 5.548 ( -14.937 6.048 0.000) 16.115 5.548 ( 14.937 6.048 0.000) 16.115 5.649 ( -5.296 11.674 0.000) 12.819 5.650 ( 5.296 11.674 0.000) 12.819 5.735 ( -2.370 13.469 0.000) 13.676 5.735 ( 2.370 13.469 0.000) 13.676 5.824 ( -10.943 5.533 0.000) 12.262 5.824 ( 10.943 5.533 0.000) 12.262 6.103 ( -30.050 0.352 0.000) 30.052 6.103 ( 30.050 0.352 0.000) 30.052 6.284 ( -3.704 21.051 0.000) 21.374 6.284 ( 3.704 21.051 0.000) 21.374 6.440 ( -2.255 7.053 0.000) 7.405 6.440 ( 2.255 7.053 0.000) 7.405 6.699 ( -0.917 2.166 0.000) 2.352 6.699 ( 0.917 2.166 0.000) 2.352 6.933 ( -5.876 8.841 0.000) 10.616 6.933 ( 5.876 8.841 0.000) 10.616 7.427 ( -4.039 12.914 0.000) 13.531 7.427 ( 4.039 12.914 0.000) 13.531 7.527 ( -14.651 -7.133 0.000) 16.295 7.527 ( 14.651 -7.133 0.000) 16.295 8.150 ( -6.260 -2.553 0.000) 6.760 8.150 ( 6.260 -2.553 0.000) 6.760 8.862 ( -14.953 0.652 0.000) 14.967 8.862 ( 14.953 0.652 0.000) 14.967 9.240 ( -43.627 0.001 0.000) 43.627 9.240 ( 43.627 0.001 0.000) 43.627 9.861 ( -46.477 -11.875 0.000) 47.970 9.861 ( 46.477 -11.875 0.000) 47.970 16.032 ( -2.126 -2.430 0.000) 3.229 16.032 ( 2.126 -2.430 0.000) 3.229 16.205 ( -0.059 -5.825 0.000) 5.826 16.205 ( 0.059 -5.825 0.000) 5.826 17.604 ( -1.632 -2.515 0.000) 2.998 17.604 ( 1.632 -2.515 0.000) 2.998 17.813 ( -6.893 -8.073 0.000) 10.616 17.813 ( 6.893 -8.073 0.000) 10.616 21.412 ( -0.613 8.916 0.000) 8.937 21.412 ( 0.613 8.916 0.000) 8.937 21.438 ( -1.305 7.901 0.000) 8.008 21.438 ( 1.305 7.901 0.000) 8.008 26.119 ( -8.634 -0.342 0.000) 8.641 26.119 ( 8.634 -0.342 0.000) 8.641 26.167 ( -8.345 -1.515 0.000) 8.481 26.167 ( 8.345 -1.515 0.000) 8.481 35.220 ( -39.753 -11.789 0.000) 41.464 35.220 ( 39.753 -11.789 0.000) 41.464 35.513 ( -33.581 -20.512 0.000) 39.350 35.513 ( 33.581 -20.512 0.000) 39.350 38.450 ( -18.240 -2.379 0.000) 18.394 38.450 ( 18.240 -2.379 0.000) 18.394 38.646 ( -11.239 1.735 0.000) 11.372 38.646 ( 11.239 1.735 0.000) 11.372 38.879 ( -6.736 3.574 0.000) 7.626 38.879 ( 6.736 3.574 0.000) 7.626 39.167 ( -8.558 -10.698 0.000) 13.700 39.167 ( 8.558 -10.698 0.000) 13.700 44.685 ( -25.345 -3.272 0.000) 25.556 44.685 ( 25.345 -3.272 0.000) 25.556 44.955 ( -29.883 -9.012 0.000) 31.212 44.955 ( 29.883 -9.012 0.000) 31.212 59.096 ( -56.148 -23.834 0.000) 60.997 59.096 ( 56.148 -23.834 0.000) 60.997 59.712 ( -63.256 -37.179 0.000) 73.373 59.712 ( 63.256 -37.179 0.000) 73.373 ======================= Grid point 35 (21/96) ======================= q-point: ( 0.00 0.36 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.000 17.535 0.000) 17.535 2.457 ( 0.000 28.475 0.000) 28.475 2.534 ( 0.000 6.935 0.000) 6.935 3.203 ( 0.000 -0.580 0.000) 0.580 3.331 ( 0.000 7.349 0.000) 7.349 3.814 ( 0.000 5.622 0.000) 5.622 3.815 ( 0.000 -8.592 0.000) 8.592 3.854 ( 0.000 -8.065 0.000) 8.065 3.973 ( 0.000 7.319 0.000) 7.319 4.290 ( 0.000 3.016 0.000) 3.016 4.290 ( 0.000 14.760 0.000) 14.760 4.391 ( 0.000 3.598 0.000) 3.598 4.406 ( 0.000 -5.893 0.000) 5.893 4.465 ( 0.000 -2.274 0.000) 2.274 4.979 ( 0.000 2.301 0.000) 2.301 5.016 ( 0.000 7.090 0.000) 7.090 5.190 ( 0.000 17.220 0.000) 17.220 5.220 ( 0.000 13.092 0.000) 13.092 5.325 ( 0.000 13.439 0.000) 13.439 5.328 ( 0.000 7.262 0.000) 7.262 5.476 ( 0.000 13.727 0.000) 13.727 5.678 ( 0.000 -6.022 0.000) 6.022 5.717 ( 0.000 4.983 0.000) 4.983 5.948 ( 0.000 18.196 0.000) 18.196 6.048 ( 0.000 5.279 0.000) 5.279 6.155 ( 0.000 -4.912 0.000) 4.912 6.295 ( 0.000 2.349 0.000) 2.349 6.340 ( 0.000 5.161 0.000) 5.161 6.404 ( 0.000 1.530 0.000) 1.530 6.572 ( 0.000 0.708 0.000) 0.708 6.585 ( 0.000 -2.802 0.000) 2.802 6.627 ( 0.000 7.710 0.000) 7.710 6.739 ( 0.000 15.607 0.000) 15.607 6.905 ( 0.000 14.445 0.000) 14.445 7.140 ( 0.000 13.165 0.000) 13.165 7.197 ( 0.000 6.524 0.000) 6.524 7.377 ( 0.000 16.992 0.000) 16.992 7.649 ( 0.000 -2.765 0.000) 2.765 7.718 ( 0.000 13.598 0.000) 13.598 7.748 ( 0.000 1.632 0.000) 1.632 7.810 ( 0.000 13.945 0.000) 13.945 7.901 ( 0.000 1.294 0.000) 1.294 8.309 ( 0.000 -3.755 0.000) 3.755 8.340 ( 0.000 -4.380 0.000) 4.380 8.867 ( 0.000 -0.766 0.000) 0.766 9.485 ( 0.000 -10.994 0.000) 10.994 11.818 ( 0.000 -6.841 0.000) 6.841 11.844 ( 0.000 -8.509 0.000) 8.509 15.811 ( 0.000 -0.705 0.000) 0.705 15.838 ( 0.000 -1.289 0.000) 1.289 15.945 ( 0.000 -0.772 0.000) 0.772 15.991 ( 0.000 -1.787 0.000) 1.787 17.176 ( 0.000 -1.137 0.000) 1.137 17.213 ( 0.000 -1.781 0.000) 1.781 17.399 ( 0.000 -1.303 0.000) 1.303 17.453 ( 0.000 -2.638 0.000) 2.638 21.538 ( 0.000 6.037 0.000) 6.037 21.608 ( 0.000 2.651 0.000) 2.651 21.609 ( 0.000 7.438 0.000) 7.438 21.609 ( 0.000 7.455 0.000) 7.455 25.793 ( 0.000 -0.819 0.000) 0.819 25.820 ( 0.000 -1.468 0.000) 1.468 26.449 ( 0.000 -0.717 0.000) 0.717 26.457 ( 0.000 -0.819 0.000) 0.819 33.349 ( 0.000 -1.054 0.000) 1.054 33.457 ( 0.000 -3.465 0.000) 3.465 36.035 ( 0.000 -7.517 0.000) 7.517 36.141 ( 0.000 -9.723 0.000) 9.723 38.058 ( 0.000 0.168 0.000) 0.168 38.320 ( 0.000 -2.696 0.000) 2.696 38.764 ( 0.000 1.040 0.000) 1.040 38.831 ( 0.000 -4.081 0.000) 4.081 39.161 ( 0.000 5.778 0.000) 5.778 39.216 ( 0.000 4.478 0.000) 4.478 39.464 ( 0.000 -6.476 0.000) 6.476 39.598 ( 0.000 -9.432 0.000) 9.432 43.379 ( 0.000 -0.306 0.000) 0.306 43.416 ( 0.000 -0.811 0.000) 0.811 45.368 ( 0.000 -2.972 0.000) 2.972 45.617 ( 0.000 -10.172 0.000) 10.172 56.755 ( 0.000 -7.860 0.000) 7.860 56.865 ( 0.000 -10.440 0.000) 10.440 60.615 ( 0.000 -19.575 0.000) 19.575 61.132 ( 0.000 -31.889 0.000) 31.889 ======================= Grid point 36 (22/96) ======================= q-point: ( 0.17 0.36 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 4.060 26.979 0.000) 27.282 2.847 ( 28.436 18.562 0.000) 33.958 2.930 ( 26.596 5.762 0.000) 27.212 3.305 ( -1.741 6.790 0.000) 7.010 3.325 ( 13.755 -3.188 0.000) 14.120 3.645 ( -9.713 1.955 0.000) 9.908 3.873 ( 8.527 -5.376 0.000) 10.080 3.909 ( 2.002 -0.690 0.000) 2.117 4.023 ( -12.590 5.689 0.000) 13.816 4.158 ( 13.948 3.704 0.000) 14.431 4.230 ( 1.786 6.948 0.000) 7.174 4.406 ( 0.126 -4.811 0.000) 4.812 4.563 ( 10.530 3.784 0.000) 11.190 4.669 ( 10.930 0.405 0.000) 10.937 5.002 ( -1.898 6.386 0.000) 6.662 5.025 ( 3.806 7.587 0.000) 8.488 5.183 ( -0.818 18.267 0.000) 18.285 5.201 ( 0.643 8.177 0.000) 8.202 5.268 ( -4.698 9.374 0.000) 10.485 5.347 ( 1.451 12.004 0.000) 12.092 5.526 ( 4.838 10.337 0.000) 11.414 5.746 ( 6.053 0.944 0.000) 6.126 5.763 ( 3.620 4.709 0.000) 5.940 5.902 ( -2.843 14.904 0.000) 15.173 6.077 ( -5.831 -1.823 0.000) 6.109 6.117 ( 4.594 1.942 0.000) 4.987 6.314 ( -1.041 4.438 0.000) 4.558 6.369 ( -2.317 1.499 0.000) 2.759 6.378 ( 4.685 4.589 0.000) 6.558 6.447 ( -1.335 2.671 0.000) 2.986 6.570 ( -5.364 5.228 0.000) 7.490 6.723 ( 0.409 16.745 0.000) 16.750 6.801 ( 9.317 -4.373 0.000) 10.292 6.883 ( -3.058 9.774 0.000) 10.241 7.101 ( -4.861 11.077 0.000) 12.096 7.164 ( -1.816 13.015 0.000) 13.141 7.393 ( -0.856 14.112 0.000) 14.138 7.625 ( 1.256 9.127 0.000) 9.213 7.683 ( -5.292 0.625 0.000) 5.329 7.809 ( 10.141 8.691 0.000) 13.356 7.827 ( 0.631 14.734 0.000) 14.747 7.958 ( 3.729 -3.290 0.000) 4.973 8.311 ( -3.101 -4.530 0.000) 5.489 8.358 ( 6.686 -3.172 0.000) 7.401 8.886 ( 1.806 -0.980 0.000) 2.054 9.429 ( -4.969 -9.198 0.000) 10.455 11.356 ( -41.976 -5.292 0.000) 42.309 11.530 ( -33.541 -9.603 0.000) 34.888 15.854 ( 4.082 -0.833 0.000) 4.166 15.925 ( 7.115 -2.691 0.000) 7.607 15.983 ( 2.558 -1.546 0.000) 2.989 16.013 ( 2.290 -2.352 0.000) 3.283 17.276 ( 9.165 -1.320 0.000) 9.260 17.305 ( 8.717 -1.822 0.000) 8.906 17.431 ( 3.923 -0.859 0.000) 4.016 17.544 ( 7.423 -4.388 0.000) 8.623 21.543 ( 0.502 6.115 0.000) 6.135 21.599 ( -0.703 7.360 0.000) 7.394 21.601 ( -0.645 3.246 0.000) 3.309 21.608 ( -0.344 7.308 0.000) 7.316 25.836 ( 4.282 -0.679 0.000) 4.336 25.863 ( 4.339 -1.395 0.000) 4.558 26.403 ( -4.593 -0.569 0.000) 4.628 26.413 ( -4.308 -0.848 0.000) 4.390 33.621 ( 25.596 -3.732 0.000) 25.866 33.711 ( 25.877 -5.599 0.000) 26.476 35.972 ( -7.206 -8.569 0.000) 11.196 36.032 ( -11.717 -9.632 0.000) 15.168 38.061 ( 0.993 -0.353 0.000) 1.054 38.332 ( 1.634 -3.760 0.000) 4.100 38.780 ( 1.950 1.786 0.000) 2.644 38.853 ( 2.292 -3.464 0.000) 4.154 39.113 ( -5.408 5.152 0.000) 7.469 39.153 ( -7.880 3.766 0.000) 8.734 39.287 ( -14.828 -4.989 0.000) 15.645 39.448 ( -13.204 -9.135 0.000) 16.056 43.601 ( 21.020 -0.635 0.000) 21.029 43.664 ( 23.232 -2.020 0.000) 23.320 45.286 ( -8.432 -2.864 0.000) 8.905 45.524 ( -9.482 -9.763 0.000) 13.609 57.010 ( 25.680 -9.378 0.000) 27.339 57.170 ( 30.394 -12.861 0.000) 33.003 60.360 ( -25.605 -19.245 0.000) 32.031 60.864 ( -26.965 -31.371 0.000) 41.368 ======================= Grid point 37 (23/96) ======================= q-point: ( 0.33 0.36 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 9.146 22.600 0.000) 24.380 3.034 ( -2.823 9.654 0.000) 10.058 3.261 ( 2.052 6.794 0.000) 7.097 3.295 ( 0.975 5.002 0.000) 5.096 3.475 ( -7.236 4.251 0.000) 8.393 3.493 ( -1.052 6.334 0.000) 6.421 3.881 ( 1.522 -1.704 0.000) 2.285 3.928 ( -0.191 -0.795 0.000) 0.817 4.200 ( 20.296 8.021 0.000) 21.824 4.415 ( 3.596 -4.472 0.000) 5.738 4.446 ( 11.592 3.541 0.000) 12.121 4.511 ( 5.394 -3.825 0.000) 6.613 4.782 ( 9.584 8.171 0.000) 12.595 4.920 ( -6.644 7.395 0.000) 9.941 4.935 ( 27.915 8.163 0.000) 29.085 5.122 ( 6.510 11.289 0.000) 13.032 5.151 ( -2.638 17.431 0.000) 17.630 5.199 ( -1.315 13.012 0.000) 13.078 5.261 ( 0.115 5.474 0.000) 5.475 5.448 ( 17.739 3.054 0.000) 18.000 5.654 ( 7.596 6.081 0.000) 9.730 5.801 ( -1.879 2.693 0.000) 3.284 5.875 ( 0.616 11.643 0.000) 11.659 5.881 ( 7.130 8.243 0.000) 10.899 5.964 ( -4.463 3.945 0.000) 5.957 6.075 ( -6.825 6.115 0.000) 9.164 6.247 ( -9.120 8.152 0.000) 12.233 6.355 ( 1.799 -4.317 0.000) 4.677 6.429 ( -7.400 2.029 0.000) 7.673 6.507 ( 4.984 1.860 0.000) 5.320 6.610 ( 9.889 6.311 0.000) 11.732 6.705 ( -16.398 0.174 0.000) 16.399 6.763 ( 9.448 15.705 0.000) 18.328 6.987 ( 12.534 -5.072 0.000) 13.522 7.006 ( -3.418 20.143 0.000) 20.431 7.144 ( -0.089 14.483 0.000) 14.483 7.301 ( -6.479 11.713 0.000) 13.386 7.564 ( -6.883 -2.916 0.000) 7.475 7.709 ( 5.183 19.695 0.000) 20.365 7.828 ( -0.500 17.055 0.000) 17.062 7.990 ( 1.103 -4.699 0.000) 4.827 8.195 ( 28.497 -0.177 0.000) 28.497 8.212 ( -7.099 -5.084 0.000) 8.731 8.658 ( 25.608 -3.536 0.000) 25.851 8.926 ( 1.654 -1.767 0.000) 2.420 9.341 ( -2.067 -6.773 0.000) 7.081 10.314 ( -60.715 -2.838 0.000) 60.782 10.644 ( -53.642 -10.896 0.000) 54.737 15.936 ( 3.693 -1.247 0.000) 3.898 16.006 ( 0.027 -1.914 0.000) 1.914 16.049 ( 4.631 -4.310 0.000) 6.327 16.070 ( 2.612 -3.902 0.000) 4.696 17.462 ( 8.388 -1.307 0.000) 8.489 17.515 ( 11.235 -3.078 0.000) 11.649 17.527 ( 4.678 -1.038 0.000) 4.791 17.676 ( 4.544 -5.862 0.000) 7.417 21.556 ( 0.856 6.338 0.000) 6.395 21.585 ( -0.652 6.962 0.000) 6.992 21.588 ( -0.626 4.634 0.000) 4.676 21.596 ( -0.798 6.996 0.000) 7.041 25.952 ( 7.422 -0.380 0.000) 7.432 25.981 ( 7.445 -1.233 0.000) 7.547 26.279 ( -7.832 -0.272 0.000) 7.837 26.298 ( -7.291 -0.957 0.000) 7.353 34.253 ( 37.607 -6.352 0.000) 38.140 34.396 ( 40.656 -11.561 0.000) 42.268 35.659 ( -26.771 -9.282 0.000) 28.335 35.713 ( -20.366 -11.375 0.000) 23.328 38.140 ( 8.215 -1.321 0.000) 8.321 38.407 ( 6.755 -5.296 0.000) 8.584 38.808 ( -22.565 -2.565 0.000) 22.710 38.846 ( 4.746 3.040 0.000) 5.636 38.917 ( -15.212 -0.612 0.000) 15.224 38.923 ( 4.956 -2.218 0.000) 5.430 39.089 ( -7.085 3.055 0.000) 7.716 39.203 ( -9.964 -4.718 0.000) 11.025 44.103 ( 28.135 -1.429 0.000) 28.171 44.215 ( 30.815 -4.347 0.000) 31.120 45.038 ( -16.960 -2.562 0.000) 17.153 45.247 ( -18.918 -8.573 0.000) 20.770 57.716 ( 45.058 -12.393 0.000) 46.732 57.989 ( 51.330 -19.145 0.000) 54.784 59.657 ( -44.880 -18.002 0.000) 48.356 60.120 ( -47.831 -29.511 0.000) 56.203 ======================= Grid point 38 (24/96) ======================= q-point: (-0.50 0.36 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -12.838 15.922 0.000) 20.453 2.845 ( 12.838 15.922 0.000) 20.453 3.300 ( -2.365 2.839 0.000) 3.695 3.300 ( 2.365 2.839 0.000) 3.695 3.415 ( -2.776 7.706 0.000) 8.191 3.415 ( 2.776 7.706 0.000) 8.191 3.911 ( -1.251 -0.798 0.000) 1.484 3.911 ( 1.251 -0.798 0.000) 1.484 4.465 ( -1.927 -1.100 0.000) 2.219 4.465 ( 1.927 -1.100 0.000) 2.219 4.557 ( -6.769 -0.987 0.000) 6.841 4.557 ( 6.769 -0.987 0.000) 6.841 4.817 ( -0.040 13.360 0.000) 13.360 4.817 ( 0.040 13.360 0.000) 13.360 5.110 ( -1.196 15.566 0.000) 15.612 5.110 ( 1.196 15.566 0.000) 15.612 5.205 ( -1.614 14.147 0.000) 14.238 5.205 ( 1.614 14.147 0.000) 14.238 5.565 ( -19.261 -1.513 0.000) 19.321 5.565 ( 19.261 -1.513 0.000) 19.321 5.829 ( -5.596 7.241 0.000) 9.151 5.829 ( 5.596 7.241 0.000) 9.151 5.950 ( -2.169 5.909 0.000) 6.294 5.950 ( 2.169 5.909 0.000) 6.294 5.990 ( -22.333 3.870 0.000) 22.666 5.990 ( 22.333 3.870 0.000) 22.666 6.126 ( -20.401 6.040 0.000) 21.276 6.126 ( 20.401 6.040 0.000) 21.276 6.413 ( -5.948 0.502 0.000) 5.969 6.413 ( 5.948 0.502 0.000) 5.969 6.615 ( -3.600 6.707 0.000) 7.612 6.615 ( 3.600 6.707 0.000) 7.612 6.936 ( -4.791 16.736 0.000) 17.408 6.936 ( 4.791 16.736 0.000) 17.408 7.177 ( -3.315 13.313 0.000) 13.719 7.177 ( 3.315 13.313 0.000) 13.719 7.368 ( -15.567 -6.261 0.000) 16.778 7.368 ( 15.567 -6.261 0.000) 16.778 7.798 ( -3.123 20.163 0.000) 20.403 7.798 ( 3.123 20.163 0.000) 20.403 8.056 ( -7.044 -6.361 0.000) 9.491 8.056 ( 7.044 -6.361 0.000) 9.491 8.820 ( -22.982 -3.457 0.000) 23.241 8.820 ( 22.982 -3.457 0.000) 23.241 9.254 ( -36.447 0.397 0.000) 36.450 9.254 ( 36.447 0.397 0.000) 36.450 9.628 ( -42.072 -10.701 0.000) 43.411 9.628 ( 42.072 -10.701 0.000) 43.411 15.989 ( -1.747 -1.701 0.000) 2.438 15.989 ( 1.747 -1.701 0.000) 2.438 16.096 ( -0.273 -4.688 0.000) 4.696 16.096 ( 0.273 -4.688 0.000) 4.696 17.565 ( -1.587 -1.253 0.000) 2.022 17.565 ( 1.587 -1.253 0.000) 2.022 17.680 ( -4.525 -5.024 0.000) 6.762 17.680 ( 4.525 -5.024 0.000) 6.762 21.573 ( -0.724 6.547 0.000) 6.587 21.573 ( 0.724 6.548 0.000) 6.587 21.583 ( -0.285 6.143 0.000) 6.150 21.583 ( 0.285 6.143 0.000) 6.150 26.113 ( -8.723 -0.185 0.000) 8.725 26.113 ( 8.723 -0.185 0.000) 8.725 26.140 ( -8.490 -1.078 0.000) 8.559 26.140 ( 8.490 -1.078 0.000) 8.559 35.012 ( -38.042 -8.284 0.000) 38.934 35.012 ( 38.042 -8.284 0.000) 38.934 35.163 ( -35.386 -13.645 0.000) 37.925 35.163 ( 35.386 -13.645 0.000) 37.925 38.398 ( -17.965 -2.225 0.000) 18.102 38.398 ( 17.965 -2.225 0.000) 18.102 38.612 ( -14.030 -4.848 0.000) 14.844 38.612 ( 14.030 -4.848 0.000) 14.844 38.958 ( -6.439 3.731 0.000) 7.442 38.958 ( 6.439 3.731 0.000) 7.442 39.042 ( -7.128 -1.866 0.000) 7.368 39.042 ( 7.128 -1.866 0.000) 7.368 44.629 ( -24.629 -2.095 0.000) 24.718 44.629 ( 24.629 -2.095 0.000) 24.718 44.793 ( -27.197 -6.700 0.000) 28.011 44.793 ( 27.197 -6.700 0.000) 28.011 58.688 ( -52.225 -15.582 0.000) 54.499 58.688 ( 52.225 -15.582 0.000) 54.499 59.073 ( -57.205 -25.496 0.000) 62.629 59.073 ( 57.205 -25.496 0.000) 62.629 ======================= Grid point 42 (25/96) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 5.217 0.000) 5.217 2.705 ( 0.000 6.619 0.000) 6.619 3.003 ( 0.000 24.176 0.000) 24.176 3.244 ( 0.000 5.558 0.000) 5.558 3.508 ( 0.000 10.389 0.000) 10.389 3.627 ( 0.000 -9.825 0.000) 9.825 3.659 ( 0.000 -10.476 0.000) 10.476 3.928 ( 0.000 5.372 0.000) 5.372 4.046 ( 0.000 -0.834 0.000) 0.834 4.158 ( 0.000 -15.259 0.000) 15.259 4.343 ( 0.000 2.245 0.000) 2.245 4.423 ( 0.000 -1.640 0.000) 1.640 4.462 ( 0.000 3.022 0.000) 3.022 4.465 ( 0.000 3.657 0.000) 3.657 5.034 ( 0.000 4.040 0.000) 4.040 5.184 ( 0.000 7.640 0.000) 7.640 5.319 ( 0.000 0.785 0.000) 0.785 5.338 ( 0.000 -4.676 0.000) 4.676 5.525 ( 0.000 6.423 0.000) 6.423 5.580 ( 0.000 11.906 0.000) 11.906 5.586 ( 0.000 1.232 0.000) 1.232 5.696 ( 0.000 6.887 0.000) 6.887 5.786 ( 0.000 3.186 0.000) 3.186 6.029 ( 0.000 -6.969 0.000) 6.969 6.179 ( 0.000 6.107 0.000) 6.107 6.216 ( 0.000 3.522 0.000) 3.522 6.361 ( 0.000 3.333 0.000) 3.333 6.425 ( 0.000 0.388 0.000) 0.388 6.512 ( 0.000 15.875 0.000) 15.875 6.568 ( 0.000 -0.129 0.000) 0.129 6.592 ( 0.000 1.298 0.000) 1.298 6.778 ( 0.000 6.509 0.000) 6.509 6.936 ( 0.000 2.316 0.000) 2.316 6.978 ( 0.000 -2.903 0.000) 2.903 7.364 ( 0.000 8.256 0.000) 8.256 7.376 ( 0.000 7.949 0.000) 7.949 7.620 ( 0.000 -0.012 0.000) 0.012 7.685 ( 0.000 12.679 0.000) 12.679 7.724 ( 0.000 -4.077 0.000) 4.077 7.836 ( 0.000 6.735 0.000) 6.735 8.016 ( 0.000 -2.231 0.000) 2.231 8.105 ( 0.000 5.779 0.000) 5.779 8.278 ( 0.000 5.281 0.000) 5.281 8.421 ( 0.000 17.685 0.000) 17.685 8.780 ( 0.000 -7.765 0.000) 7.765 9.208 ( 0.000 -16.033 0.000) 16.033 11.708 ( 0.000 -3.795 0.000) 3.795 11.711 ( 0.000 -4.323 0.000) 4.323 15.801 ( 0.000 -0.181 0.000) 0.181 15.816 ( 0.000 -0.846 0.000) 0.846 15.936 ( 0.000 -0.126 0.000) 0.126 15.960 ( 0.000 -1.259 0.000) 1.259 17.162 ( 0.000 -0.261 0.000) 0.261 17.183 ( 0.000 -1.188 0.000) 1.188 17.381 ( 0.000 -0.357 0.000) 0.357 17.409 ( 0.000 -1.678 0.000) 1.678 21.632 ( 0.000 3.118 0.000) 3.118 21.653 ( 0.000 1.583 0.000) 1.583 21.729 ( 0.000 4.113 0.000) 4.113 21.729 ( 0.000 4.103 0.000) 4.103 25.782 ( 0.000 -0.253 0.000) 0.253 25.795 ( 0.000 -0.912 0.000) 0.912 26.439 ( 0.000 -0.248 0.000) 0.248 26.444 ( 0.000 -0.462 0.000) 0.462 33.338 ( 0.000 0.069 0.000) 0.069 33.394 ( 0.000 -2.611 0.000) 2.611 35.923 ( 0.000 -3.292 0.000) 3.292 35.979 ( 0.000 -5.900 0.000) 5.900 38.078 ( 0.000 1.892 0.000) 1.892 38.233 ( 0.000 -5.019 0.000) 5.019 38.781 ( 0.000 0.619 0.000) 0.619 38.790 ( 0.000 -0.516 0.000) 0.516 39.255 ( 0.000 3.379 0.000) 3.379 39.290 ( 0.000 2.593 0.000) 2.593 39.363 ( 0.000 -3.232 0.000) 3.232 39.438 ( 0.000 -5.960 0.000) 5.960 43.378 ( 0.000 0.164 0.000) 0.164 43.399 ( 0.000 -0.764 0.000) 0.764 45.331 ( 0.000 -0.475 0.000) 0.475 45.446 ( 0.000 -6.418 0.000) 6.418 56.634 ( 0.000 -3.682 0.000) 3.682 56.690 ( 0.000 -6.390 0.000) 6.390 60.340 ( 0.000 -7.050 0.000) 7.050 60.601 ( 0.000 -19.720 0.000) 19.720 ======================= Grid point 43 (26/96) ======================= q-point: ( 0.17 0.43 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 1.412 23.123 0.000) 23.167 3.045 ( 25.575 5.364 0.000) 26.131 3.176 ( 36.747 9.872 0.000) 38.050 3.270 ( 4.317 1.463 0.000) 4.558 3.460 ( -3.655 8.630 0.000) 9.372 3.595 ( -5.346 -6.140 0.000) 8.141 3.708 ( 10.490 -9.516 0.000) 14.163 3.894 ( -1.829 -2.689 0.000) 3.252 4.151 ( -6.025 5.760 0.000) 8.335 4.183 ( 9.441 -1.350 0.000) 9.537 4.221 ( 6.863 -8.797 0.000) 11.157 4.301 ( -3.246 0.253 0.000) 3.256 4.591 ( 5.925 1.278 0.000) 6.062 4.677 ( 13.491 -0.506 0.000) 13.500 5.125 ( 7.761 3.939 0.000) 8.703 5.173 ( -1.106 8.546 0.000) 8.617 5.289 ( -1.533 -0.488 0.000) 1.609 5.338 ( 1.506 1.330 0.000) 2.009 5.512 ( -5.068 10.492 0.000) 11.652 5.559 ( 0.619 7.566 0.000) 7.592 5.686 ( -0.794 3.464 0.000) 3.554 5.704 ( 11.996 -2.697 0.000) 12.295 5.843 ( 4.084 4.721 0.000) 6.242 6.020 ( -0.577 -3.510 0.000) 3.558 6.135 ( -3.967 6.511 0.000) 7.624 6.170 ( -3.720 2.416 0.000) 4.436 6.389 ( 0.271 1.667 0.000) 1.689 6.437 ( 2.241 0.644 0.000) 2.332 6.442 ( -4.085 7.446 0.000) 8.492 6.595 ( 6.158 9.369 0.000) 11.212 6.709 ( -6.532 6.710 0.000) 9.364 6.719 ( 6.173 -1.833 0.000) 6.440 6.906 ( -7.162 -2.964 0.000) 7.751 6.938 ( 1.191 3.687 0.000) 3.874 7.340 ( -1.172 9.561 0.000) 9.633 7.398 ( 1.048 7.811 0.000) 7.881 7.613 ( -3.169 6.110 0.000) 6.883 7.761 ( -7.260 7.016 0.000) 10.096 7.761 ( 10.945 7.056 0.000) 13.022 7.803 ( 5.803 -3.854 0.000) 6.966 8.034 ( 3.370 -0.583 0.000) 3.420 8.085 ( -2.536 0.708 0.000) 2.633 8.276 ( -0.205 9.315 0.000) 9.317 8.449 ( 3.554 15.265 0.000) 15.673 8.794 ( 1.391 -7.883 0.000) 8.005 9.181 ( -2.319 -14.823 0.000) 15.003 11.283 ( -39.558 -1.807 0.000) 39.600 11.369 ( -35.282 -6.048 0.000) 35.797 15.845 ( 3.938 -0.035 0.000) 3.938 15.880 ( 5.349 -1.751 0.000) 5.628 15.959 ( 1.723 -0.680 0.000) 1.852 15.974 ( 1.357 -1.421 0.000) 1.965 17.259 ( 8.899 -0.398 0.000) 8.908 17.275 ( 8.569 -1.109 0.000) 8.640 17.423 ( 4.224 0.082 0.000) 4.225 17.473 ( 5.667 -2.585 0.000) 6.229 21.638 ( 0.627 3.147 0.000) 3.209 21.655 ( 0.216 1.876 0.000) 1.889 21.718 ( -0.860 4.158 0.000) 4.247 21.725 ( -0.605 3.906 0.000) 3.953 25.827 ( 4.473 -0.194 0.000) 4.477 25.840 ( 4.464 -0.860 0.000) 4.546 26.395 ( -4.388 -0.222 0.000) 4.394 26.400 ( -4.368 -0.440 0.000) 4.390 33.571 ( 22.748 -1.183 0.000) 22.778 33.619 ( 22.513 -3.417 0.000) 22.771 35.841 ( -9.083 -4.071 0.000) 9.954 35.875 ( -11.288 -5.579 0.000) 12.592 38.072 ( 0.215 1.580 0.000) 1.595 38.229 ( 0.207 -5.544 0.000) 5.548 38.810 ( 3.000 1.050 0.000) 3.179 38.823 ( 3.277 -0.186 0.000) 3.282 39.169 ( -15.962 -0.906 0.000) 15.988 39.183 ( -11.299 0.308 0.000) 11.303 39.254 ( -4.544 1.405 0.000) 4.756 39.310 ( -8.895 -3.721 0.000) 9.641 43.595 ( 20.545 0.084 0.000) 20.545 43.628 ( 21.533 -1.476 0.000) 21.584 45.250 ( -8.295 -0.457 0.000) 8.308 45.361 ( -8.776 -6.152 0.000) 10.717 56.873 ( 24.128 -3.891 0.000) 24.440 56.956 ( 26.521 -7.857 0.000) 27.660 60.090 ( -25.067 -6.926 0.000) 26.006 60.343 ( -25.835 -19.255 0.000) 32.221 ======================= Grid point 44 (27/96) ======================= q-point: ( 0.33 0.43 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 3.704 19.652 0.000) 19.998 3.212 ( -0.143 7.435 0.000) 7.436 3.342 ( 0.899 1.577 0.000) 1.815 3.400 ( -2.413 5.051 0.000) 5.598 3.504 ( -2.789 -0.553 0.000) 2.843 3.628 ( -2.326 5.983 0.000) 6.419 3.826 ( 4.213 -3.392 0.000) 5.409 3.861 ( -1.422 -7.228 0.000) 7.367 4.320 ( 6.086 -2.521 0.000) 6.587 4.334 ( 16.159 4.800 0.000) 16.856 4.419 ( 9.867 -3.600 0.000) 10.503 4.451 ( 5.841 -1.703 0.000) 6.084 4.869 ( 24.644 2.028 0.000) 24.727 4.975 ( 22.174 -1.986 0.000) 22.263 5.141 ( -2.290 11.333 0.000) 11.562 5.275 ( 7.623 5.039 0.000) 9.138 5.340 ( 5.776 1.747 0.000) 6.034 5.351 ( -0.716 3.774 0.000) 3.842 5.432 ( -2.526 8.460 0.000) 8.829 5.595 ( 6.753 8.608 0.000) 10.941 5.668 ( -1.748 -3.411 0.000) 3.833 5.909 ( 2.628 6.660 0.000) 7.160 5.941 ( 8.851 -3.799 0.000) 9.632 6.016 ( 0.230 1.228 0.000) 1.249 6.063 ( -3.497 4.771 0.000) 5.915 6.113 ( -0.371 1.876 0.000) 1.912 6.317 ( -7.415 1.264 0.000) 7.522 6.407 ( 1.698 8.826 0.000) 8.988 6.413 ( -10.702 -2.762 0.000) 11.053 6.610 ( -0.569 5.896 0.000) 5.923 6.736 ( -7.774 1.515 0.000) 7.920 6.769 ( -0.516 1.112 0.000) 1.226 6.848 ( 20.597 2.933 0.000) 20.804 7.028 ( 7.926 5.166 0.000) 9.461 7.324 ( -1.261 10.807 0.000) 10.881 7.407 ( -0.241 9.038 0.000) 9.041 7.524 ( -5.163 9.484 0.000) 10.798 7.571 ( -11.604 5.123 0.000) 12.685 7.853 ( -0.230 -7.337 0.000) 7.341 7.992 ( -6.742 -7.274 0.000) 9.918 8.061 ( 15.144 11.847 0.000) 19.227 8.249 ( 20.481 3.197 0.000) 20.729 8.268 ( -0.855 15.789 0.000) 15.812 8.637 ( 19.563 4.279 0.000) 20.026 8.822 ( 0.806 -8.278 0.000) 8.317 9.146 ( 0.159 -12.089 0.000) 12.090 10.290 ( -58.084 0.412 0.000) 58.086 10.452 ( -54.843 -7.651 0.000) 55.374 15.922 ( 3.314 -0.100 0.000) 3.316 15.976 ( 3.730 -2.830 0.000) 4.682 15.977 ( 0.133 -0.811 0.000) 0.822 16.006 ( 1.392 -2.328 0.000) 2.712 17.445 ( 8.570 -0.392 0.000) 8.579 17.468 ( 9.735 -1.621 0.000) 9.869 17.519 ( 4.442 0.183 0.000) 4.446 17.584 ( 4.347 -3.296 0.000) 5.455 21.655 ( 1.086 3.248 0.000) 3.424 21.663 ( 0.611 2.600 0.000) 2.670 21.698 ( -1.157 3.961 0.000) 4.126 21.707 ( -1.174 3.637 0.000) 3.822 25.948 ( 7.637 -0.068 0.000) 7.638 25.961 ( 7.602 -0.747 0.000) 7.639 26.275 ( -7.639 -0.077 0.000) 7.639 26.283 ( -7.408 -0.515 0.000) 7.426 34.159 ( 35.769 -2.672 0.000) 35.868 34.220 ( 36.797 -5.937 0.000) 37.273 35.514 ( -25.939 -4.749 0.000) 26.371 35.535 ( -23.017 -5.982 0.000) 23.782 38.134 ( 7.261 0.872 0.000) 7.313 38.282 ( 6.286 -6.047 0.000) 8.722 38.766 ( -22.132 -0.993 0.000) 22.154 38.849 ( -19.908 -4.449 0.000) 20.399 38.896 ( 5.651 1.778 0.000) 5.924 38.914 ( 5.845 0.394 0.000) 5.858 39.150 ( -6.159 2.411 0.000) 6.614 39.176 ( -6.524 0.457 0.000) 6.540 44.087 ( 27.593 -0.145 0.000) 27.593 44.141 ( 28.771 -2.853 0.000) 28.912 45.006 ( -16.710 -0.408 0.000) 16.715 45.104 ( -17.588 -5.395 0.000) 18.397 57.540 ( 42.826 -4.639 0.000) 43.076 57.677 ( 45.749 -11.281 0.000) 47.119 59.405 ( -43.548 -6.478 0.000) 44.027 59.636 ( -45.153 -17.739 0.000) 48.513 ======================= Grid point 45 (28/96) ======================= q-point: (-0.50 0.43 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -4.863 13.234 0.000) 14.100 3.155 ( 4.863 13.234 0.000) 14.100 3.358 ( -1.658 2.346 0.000) 2.873 3.358 ( 1.658 2.346 0.000) 2.873 3.518 ( -4.240 3.835 0.000) 5.717 3.518 ( 4.240 3.835 0.000) 5.717 3.848 ( -0.052 -6.285 0.000) 6.285 3.848 ( 0.052 -6.285 0.000) 6.285 4.425 ( -4.339 -0.246 0.000) 4.346 4.425 ( 4.339 -0.246 0.000) 4.346 4.524 ( -0.888 -2.258 0.000) 2.426 4.524 ( 0.888 -2.258 0.000) 2.426 5.076 ( -4.814 10.998 0.000) 12.005 5.076 ( 4.814 10.998 0.000) 12.005 5.329 ( -1.634 3.865 0.000) 4.196 5.329 ( 1.634 3.865 0.000) 4.196 5.386 ( -3.781 5.474 0.000) 6.653 5.386 ( 3.781 5.474 0.000) 6.653 5.535 ( -13.958 -1.059 0.000) 13.998 5.535 ( 13.958 -1.059 0.000) 13.998 5.937 ( -7.875 2.193 0.000) 8.174 5.937 ( 7.875 2.193 0.000) 8.174 6.011 ( -2.987 3.054 0.000) 4.271 6.011 ( 2.986 3.054 0.000) 4.271 6.045 ( -12.976 2.111 0.000) 13.146 6.045 ( 12.976 2.111 0.000) 13.146 6.174 ( -6.431 -1.502 0.000) 6.604 6.174 ( 6.431 -1.502 0.000) 6.604 6.517 ( -7.822 8.047 0.000) 11.223 6.517 ( 7.822 8.047 0.000) 11.223 6.725 ( -3.248 2.798 0.000) 4.287 6.725 ( 3.249 2.798 0.000) 4.287 7.211 ( -10.252 8.723 0.000) 13.461 7.211 ( 10.252 8.723 0.000) 13.461 7.292 ( -18.337 0.652 0.000) 18.348 7.292 ( 18.337 0.652 0.000) 18.348 7.437 ( -3.029 10.908 0.000) 11.321 7.437 ( 3.029 10.908 0.000) 11.321 7.871 ( -3.760 -9.866 0.000) 10.558 7.871 ( 3.760 -9.866 0.000) 10.558 8.228 ( -3.866 19.022 0.000) 19.411 8.228 ( 3.866 19.022 0.000) 19.411 8.733 ( -16.519 -5.555 0.000) 17.428 8.733 ( 16.519 -5.555 0.000) 17.428 9.253 ( -40.715 0.093 0.000) 40.715 9.253 ( 40.715 0.093 0.000) 40.715 9.428 ( -41.190 -8.611 0.000) 42.081 9.428 ( 41.190 -8.611 0.000) 42.081 15.966 ( -1.315 -0.445 0.000) 1.389 15.966 ( 1.315 -0.445 0.000) 1.389 16.016 ( -0.539 -3.002 0.000) 3.050 16.016 ( 0.539 -3.002 0.000) 3.050 17.552 ( -1.807 -0.078 0.000) 1.808 17.552 ( 1.807 -0.078 0.000) 1.808 17.601 ( -3.114 -2.753 0.000) 4.156 17.601 ( 3.114 -2.753 0.000) 4.156 21.676 ( -1.051 3.490 0.000) 3.645 21.676 ( 1.051 3.490 0.000) 3.645 21.682 ( -1.285 3.325 0.000) 3.565 21.682 ( 1.285 3.325 0.000) 3.565 26.111 ( -8.759 0.001 0.000) 8.759 26.111 ( 8.759 0.001 0.000) 8.759 26.123 ( -8.625 -0.628 0.000) 8.648 26.123 ( 8.625 -0.628 0.000) 8.648 34.888 ( -36.720 -3.741 0.000) 36.910 34.888 ( 36.720 -3.741 0.000) 36.910 34.951 ( -35.646 -7.217 0.000) 36.369 34.951 ( 35.646 -7.217 0.000) 36.369 38.373 ( -16.985 -0.022 0.000) 16.985 38.373 ( 16.985 -0.022 0.000) 16.985 38.494 ( -15.243 -5.639 0.000) 16.253 38.494 ( 15.243 -5.639 0.000) 16.253 39.021 ( -6.804 2.268 0.000) 7.172 39.021 ( 6.804 2.268 0.000) 7.172 39.042 ( -7.011 0.725 0.000) 7.048 39.042 ( 7.011 0.725 0.000) 7.048 44.604 ( -24.253 -0.317 0.000) 24.255 44.604 ( 24.253 -0.317 0.000) 24.255 44.681 ( -25.379 -4.247 0.000) 25.732 44.681 ( 25.379 -4.247 0.000) 25.732 58.469 ( -50.140 -5.646 0.000) 50.457 58.469 ( 50.140 -5.646 0.000) 50.457 58.660 ( -52.606 -14.983 0.000) 54.698 58.660 ( 52.606 -14.983 0.000) 54.698 ======================= Grid point 49 (29/96) ======================= q-point: ( 0.00 -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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.000 -2.018 0.000) 2.018 2.739 ( 0.000 2.018 0.000) 2.018 3.409 ( 0.000 -15.091 0.000) 15.091 3.409 ( 0.000 15.091 0.000) 15.091 3.418 ( 0.000 -10.176 0.000) 10.176 3.418 ( 0.000 10.176 0.000) 10.176 3.784 ( 0.000 -16.650 0.000) 16.650 3.784 ( 0.000 16.650 0.000) 16.650 4.025 ( 0.000 -3.818 0.000) 3.818 4.025 ( 0.000 3.818 0.000) 3.818 4.385 ( 0.000 -1.959 0.000) 1.959 4.385 ( 0.000 1.959 0.000) 1.959 4.496 ( 0.000 -0.158 0.000) 0.158 4.496 ( 0.000 0.158 0.000) 0.158 5.166 ( 0.000 -8.718 0.000) 8.718 5.166 ( 0.000 8.718 0.000) 8.718 5.296 ( 0.000 -3.124 0.000) 3.124 5.296 ( 0.000 3.124 0.000) 3.124 5.606 ( 0.000 -1.449 0.000) 1.449 5.606 ( 0.000 1.449 0.000) 1.449 5.734 ( 0.000 -2.925 0.000) 2.925 5.734 ( 0.000 2.925 0.000) 2.925 5.888 ( 0.000 -6.384 0.000) 6.384 5.888 ( 0.000 6.384 0.000) 6.384 6.242 ( 0.000 -0.093 0.000) 0.093 6.242 ( 0.000 0.093 0.000) 0.093 6.414 ( 0.000 -1.574 0.000) 1.574 6.414 ( 0.000 1.574 0.000) 1.574 6.584 ( 0.000 -1.313 0.000) 1.313 6.584 ( 0.000 1.313 0.000) 1.313 6.831 ( 0.000 -11.788 0.000) 11.788 6.831 ( 0.000 11.788 0.000) 11.788 6.892 ( 0.000 -4.853 0.000) 4.853 6.892 ( 0.000 4.853 0.000) 4.853 7.457 ( 0.000 -0.376 0.000) 0.376 7.457 ( 0.000 0.376 0.000) 0.376 7.650 ( 0.000 -2.809 0.000) 2.809 7.650 ( 0.000 2.809 0.000) 2.809 7.895 ( 0.000 -8.055 0.000) 8.055 7.895 ( 0.000 8.056 0.000) 8.056 8.000 ( 0.000 -8.549 0.000) 8.549 8.000 ( 0.000 8.549 0.000) 8.549 8.554 ( 0.000 -13.966 0.000) 13.966 8.554 ( 0.000 13.967 0.000) 13.967 8.834 ( 0.000 -20.104 0.000) 20.104 8.834 ( 0.000 20.104 0.000) 20.104 11.667 ( 0.000 -0.002 0.000) 0.002 11.667 ( 0.000 0.002 0.000) 0.002 15.803 ( 0.000 -0.349 0.000) 0.349 15.803 ( 0.000 0.349 0.000) 0.349 15.940 ( 0.000 -0.588 0.000) 0.588 15.940 ( 0.000 0.588 0.000) 0.588 17.165 ( 0.000 -0.525 0.000) 0.525 17.165 ( 0.000 0.525 0.000) 0.525 17.385 ( 0.000 -0.672 0.000) 0.672 17.385 ( 0.000 0.673 0.000) 0.673 21.667 ( 0.000 -0.412 0.000) 0.412 21.667 ( 0.000 0.412 0.000) 0.412 21.772 ( 0.000 -0.011 0.000) 0.011 21.772 ( 0.000 0.011 0.000) 0.011 25.783 ( 0.000 -0.330 0.000) 0.330 25.783 ( 0.000 0.330 0.000) 0.330 26.438 ( 0.000 -0.142 0.000) 0.142 26.438 ( 0.000 0.142 0.000) 0.142 33.353 ( 0.000 -1.383 0.000) 1.383 33.353 ( 0.000 1.383 0.000) 1.383 35.904 ( 0.000 -1.402 0.000) 1.402 35.904 ( 0.000 1.402 0.000) 1.402 38.138 ( 0.000 -3.962 0.000) 3.962 38.138 ( 0.000 3.962 0.000) 3.962 38.788 ( 0.000 -0.048 0.000) 0.048 38.788 ( 0.000 0.048 0.000) 0.048 39.302 ( 0.000 -1.329 0.000) 1.329 39.302 ( 0.000 1.329 0.000) 1.329 39.354 ( 0.000 -2.344 0.000) 2.344 39.354 ( 0.000 2.344 0.000) 2.344 43.386 ( 0.000 -0.547 0.000) 0.547 43.386 ( 0.000 0.547 0.000) 0.547 45.353 ( 0.000 -2.743 0.000) 2.743 45.353 ( 0.000 2.743 0.000) 2.743 56.610 ( 0.000 -1.374 0.000) 1.374 56.610 ( 0.000 1.375 0.000) 1.375 60.332 ( 0.000 -6.397 0.000) 6.397 60.332 ( 0.000 6.397 0.000) 6.397 ======================= Grid point 51 (30/96) ======================= q-point: ( 0.17 -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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 26.321 -4.508 0.000) 26.705 3.147 ( 26.321 4.508 0.000) 26.705 3.395 ( -1.309 -13.184 0.000) 13.249 3.395 ( -1.309 13.184 0.000) 13.249 3.490 ( 12.680 -11.863 0.000) 17.364 3.490 ( 12.680 11.863 0.000) 17.364 3.699 ( -5.369 -13.558 0.000) 14.583 3.699 ( -5.369 13.558 0.000) 14.583 4.153 ( 9.786 -1.641 0.000) 9.923 4.153 ( 9.786 1.641 0.000) 9.923 4.254 ( -4.518 -4.157 0.000) 6.139 4.254 ( -4.518 4.157 0.000) 6.139 4.641 ( 8.879 -2.778 0.000) 9.303 4.641 ( 8.879 2.778 0.000) 9.303 5.217 ( 4.885 -4.936 0.000) 6.945 5.217 ( 4.885 4.936 0.000) 6.945 5.308 ( 1.118 -4.163 0.000) 4.311 5.308 ( 1.118 4.164 0.000) 4.311 5.656 ( 4.842 -2.634 0.000) 5.512 5.656 ( 4.842 2.634 0.000) 5.512 5.663 ( -5.240 -4.727 0.000) 7.057 5.663 ( -5.240 4.727 0.000) 7.057 5.944 ( 3.859 -4.223 0.000) 5.721 5.944 ( 3.859 4.223 0.000) 5.721 6.200 ( -3.677 -0.228 0.000) 3.684 6.200 ( -3.677 0.229 0.000) 3.684 6.425 ( 0.361 -1.494 0.000) 1.537 6.425 ( 0.361 1.494 0.000) 1.537 6.574 ( -0.071 -5.690 0.000) 5.690 6.574 ( -0.071 5.690 0.000) 5.690 6.824 ( -6.269 -4.743 0.000) 7.861 6.824 ( -6.269 4.743 0.000) 7.861 6.878 ( 4.452 -8.827 0.000) 9.887 6.878 ( 4.452 8.828 0.000) 9.887 7.459 ( 0.282 -1.674 0.000) 1.697 7.459 ( 0.282 1.674 0.000) 1.697 7.703 ( 2.992 -4.100 0.000) 5.076 7.703 ( 2.992 4.100 0.000) 5.076 7.934 ( 6.538 -7.159 0.000) 9.695 7.934 ( 6.538 7.159 0.000) 9.695 7.942 ( -6.001 -9.538 0.000) 11.268 7.942 ( -6.001 9.538 0.000) 11.268 8.569 ( 1.292 -13.893 0.000) 13.953 8.569 ( 1.292 13.893 0.000) 13.953 8.831 ( -0.098 -19.003 0.000) 19.003 8.831 ( -0.098 19.003 0.000) 19.003 11.285 ( -37.297 -2.101 0.000) 37.356 11.285 ( -37.297 2.101 0.000) 37.356 15.853 ( 4.316 -0.842 0.000) 4.397 15.853 ( 4.316 0.842 0.000) 4.397 15.956 ( 1.232 -0.369 0.000) 1.286 15.956 ( 1.232 0.369 0.000) 1.286 17.259 ( 8.682 -0.414 0.000) 8.692 17.259 ( 8.682 0.414 0.000) 8.692 17.435 ( 4.754 -1.202 0.000) 4.904 17.435 ( 4.754 1.202 0.000) 4.904 21.673 ( 0.584 -0.321 0.000) 0.666 21.673 ( 0.584 0.321 0.000) 0.666 21.763 ( -0.816 -0.168 0.000) 0.834 21.763 ( -0.816 0.168 0.000) 0.834 25.828 ( 4.522 -0.324 0.000) 4.534 25.828 ( 4.522 0.324 0.000) 4.534 26.394 ( -4.357 -0.119 0.000) 4.359 26.394 ( -4.357 0.119 0.000) 4.359 33.571 ( 21.683 -1.195 0.000) 21.716 33.571 ( 21.683 1.195 0.000) 21.716 35.808 ( -10.416 -0.859 0.000) 10.451 35.808 ( -10.416 0.859 0.000) 10.451 38.129 ( -0.136 -3.963 0.000) 3.966 38.129 ( -0.136 3.963 0.000) 3.966 38.822 ( 3.470 -0.180 0.000) 3.475 38.822 ( 3.470 0.180 0.000) 3.475 39.163 ( -16.234 -0.975 0.000) 16.263 39.163 ( -16.234 0.975 0.000) 16.263 39.280 ( -3.989 -0.743 0.000) 4.057 39.280 ( -3.989 0.743 0.000) 4.057 43.604 ( 20.670 -0.819 0.000) 20.686 43.604 ( 20.670 0.819 0.000) 20.686 45.272 ( -8.387 -2.631 0.000) 8.790 45.272 ( -8.387 2.631 0.000) 8.790 56.854 ( 24.505 -2.054 0.000) 24.591 56.854 ( 24.505 2.054 0.000) 24.591 60.082 ( -25.119 -6.211 0.000) 25.875 60.082 ( -25.119 6.211 0.000) 25.875 ======================= Grid point 53 (31/96) ======================= q-point: ( 0.33 -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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 1.397 -3.331 0.000) 3.612 3.325 ( 1.397 3.331 0.000) 3.613 3.364 ( -1.606 -8.624 0.000) 8.772 3.364 ( -1.606 8.624 0.000) 8.772 3.633 ( -0.994 -12.568 0.000) 12.607 3.633 ( -0.994 12.568 0.000) 12.607 3.739 ( -0.495 -5.013 0.000) 5.038 3.739 ( -0.495 5.013 0.000) 5.038 4.340 ( 8.609 -3.436 0.000) 9.269 4.340 ( 8.609 3.436 0.000) 9.269 4.411 ( 12.110 -2.905 0.000) 12.453 4.411 ( 12.110 2.905 0.000) 12.453 4.916 ( 23.294 -2.968 0.000) 23.482 4.916 ( 23.294 2.968 0.000) 23.482 5.326 ( 0.025 -5.876 0.000) 5.876 5.326 ( 0.025 5.876 0.000) 5.876 5.341 ( 7.771 -1.664 0.000) 7.948 5.341 ( 7.771 1.665 0.000) 7.948 5.569 ( -3.984 -5.770 0.000) 7.011 5.569 ( -3.984 5.770 0.000) 7.011 5.776 ( 7.436 -9.239 0.000) 11.859 5.776 ( 7.436 9.239 0.000) 11.859 6.008 ( 2.500 -2.466 0.000) 3.512 6.008 ( 2.500 2.466 0.000) 3.512 6.133 ( -2.538 -1.076 0.000) 2.757 6.133 ( -2.538 1.076 0.000) 2.757 6.354 ( -9.728 -2.543 0.000) 10.055 6.354 ( -9.728 2.543 0.000) 10.055 6.612 ( 3.878 -10.089 0.000) 10.809 6.612 ( 3.878 10.089 0.000) 10.809 6.712 ( -3.264 -3.724 0.000) 4.952 6.712 ( -3.264 3.724 0.000) 4.952 7.019 ( 11.206 -6.002 0.000) 12.712 7.019 ( 11.206 6.002 0.000) 12.712 7.460 ( -1.070 -2.490 0.000) 2.710 7.460 ( -1.070 2.490 0.000) 2.710 7.696 ( -2.690 -7.752 0.000) 8.205 7.696 ( -2.690 7.752 0.000) 8.205 7.775 ( -10.251 -12.019 0.000) 15.797 7.775 ( -10.251 12.019 0.000) 15.797 8.224 ( 21.701 -5.071 0.000) 22.286 8.224 ( 21.701 5.071 0.000) 22.286 8.592 ( 0.674 -14.046 0.000) 14.062 8.592 ( 0.674 14.046 0.000) 14.062 8.862 ( 5.511 -14.693 0.000) 15.693 8.862 ( 5.511 14.693 0.000) 15.693 10.334 ( -56.295 -3.948 0.000) 56.434 10.334 ( -56.295 3.948 0.000) 56.434 15.934 ( 3.282 -1.305 0.000) 3.532 15.934 ( 3.282 1.305 0.000) 3.532 15.975 ( 0.566 -0.666 0.000) 0.874 15.975 ( 0.566 0.666 0.000) 0.874 17.446 ( 8.956 -0.540 0.000) 8.973 17.446 ( 8.956 0.540 0.000) 8.973 17.536 ( 4.340 -1.523 0.000) 4.600 17.536 ( 4.340 1.524 0.000) 4.600 21.689 ( 1.104 -0.132 0.000) 1.112 21.689 ( 1.104 0.132 0.000) 1.112 21.742 ( -1.338 -0.244 0.000) 1.360 21.742 ( -1.338 0.244 0.000) 1.360 25.950 ( 7.684 -0.308 0.000) 7.690 25.950 ( 7.684 0.308 0.000) 7.690 26.276 ( -7.515 -0.175 0.000) 7.517 26.276 ( -7.515 0.176 0.000) 7.517 34.146 ( 35.329 -1.419 0.000) 35.357 34.146 ( 35.329 1.419 0.000) 35.357 35.469 ( -24.732 -0.460 0.000) 24.736 35.469 ( -24.732 0.461 0.000) 24.736 38.180 ( 6.554 -3.694 0.000) 7.523 38.180 ( 6.554 3.694 0.000) 7.523 38.777 ( -21.137 -2.137 0.000) 21.245 38.777 ( -21.137 2.137 0.000) 21.245 38.917 ( 6.045 -0.301 0.000) 6.052 38.917 ( 6.045 0.301 0.000) 6.052 39.180 ( -6.182 -0.493 0.000) 6.201 39.180 ( -6.182 0.494 0.000) 6.201 44.099 ( 27.742 -1.326 0.000) 27.773 44.099 ( 27.742 1.326 0.000) 27.773 45.025 ( -16.874 -2.317 0.000) 17.032 45.025 ( -16.874 2.317 0.000) 17.032 57.527 ( 43.046 -3.362 0.000) 43.177 57.527 ( 43.046 3.363 0.000) 43.177 59.396 ( -43.607 -5.637 0.000) 43.970 59.396 ( -43.607 5.637 0.000) 43.970 ======================= Grid point 55 (32/96) ======================= 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -0.818 -4.736 0.000) 4.807 3.340 ( 0.818 -4.736 0.000) 4.807 3.340 ( -0.818 4.737 0.000) 4.807 3.340 ( 0.818 4.737 0.000) 4.807 3.663 ( -3.840 -10.116 0.000) 10.821 3.663 ( 3.840 -10.116 0.000) 10.821 3.663 ( -3.840 10.116 0.000) 10.821 3.663 ( 3.840 10.116 0.000) 10.821 4.465 ( -3.440 -3.178 0.000) 4.683 4.465 ( 3.440 -3.178 0.000) 4.683 4.465 ( -3.440 3.178 0.000) 4.683 4.465 ( 3.440 3.178 0.000) 4.683 5.264 ( -8.110 -7.182 0.000) 10.833 5.264 ( 8.110 -7.182 0.000) 10.833 5.264 ( -8.110 7.182 0.000) 10.833 5.264 ( 8.110 7.182 0.000) 10.833 5.495 ( -5.392 -3.675 0.000) 6.525 5.495 ( 5.392 -3.675 0.000) 6.525 5.495 ( -5.392 3.675 0.000) 6.525 5.495 ( 5.392 3.675 0.000) 6.525 5.986 ( -10.313 -2.972 0.000) 10.733 5.986 ( -10.314 2.972 0.000) 10.733 5.986 ( 10.314 -2.972 0.000) 10.733 5.986 ( 10.314 2.972 0.000) 10.733 6.124 ( -5.105 -3.344 0.000) 6.102 6.124 ( 5.105 -3.344 0.000) 6.102 6.124 ( -5.105 3.344 0.000) 6.102 6.124 ( 5.105 3.344 0.000) 6.103 6.677 ( -1.957 -6.515 0.000) 6.803 6.677 ( 1.957 -6.515 0.000) 6.803 6.677 ( -1.957 6.516 0.000) 6.803 6.677 ( 1.957 6.515 0.000) 6.803 7.312 ( -15.350 -1.621 0.000) 15.435 7.312 ( -15.350 1.622 0.000) 15.435 7.312 ( 15.350 -1.621 0.000) 15.435 7.312 ( 15.350 1.621 0.000) 15.435 7.653 ( -0.133 -10.759 0.000) 10.760 7.653 ( 0.133 -10.759 0.000) 10.760 7.653 ( -0.133 10.760 0.000) 10.760 7.653 ( 0.133 10.760 0.000) 10.760 8.556 ( -6.842 -12.385 0.000) 14.149 8.556 ( 6.842 -12.385 0.000) 14.149 8.556 ( -6.842 12.385 0.000) 14.149 8.556 ( 6.842 12.385 0.000) 14.149 9.292 ( -43.432 -4.295 0.000) 43.644 9.292 ( -43.432 4.295 0.000) 43.644 9.292 ( 43.432 -4.295 0.000) 43.644 9.292 ( 43.432 4.295 0.000) 43.644 15.973 ( -0.893 -1.192 0.000) 1.489 15.973 ( 0.893 -1.192 0.000) 1.489 15.973 ( -0.893 1.192 0.000) 1.489 15.973 ( 0.893 1.192 0.000) 1.489 17.562 ( -2.279 -1.158 0.000) 2.557 17.562 ( 2.280 -1.158 0.000) 2.557 17.562 ( -2.279 1.158 0.000) 2.557 17.562 ( 2.279 1.158 0.000) 2.557 21.714 ( -1.414 -0.176 0.000) 1.425 21.714 ( -1.414 0.176 0.000) 1.425 21.714 ( 1.414 -0.176 0.000) 1.425 21.714 ( 1.414 0.176 0.000) 1.425 26.114 ( -8.723 -0.265 0.000) 8.727 26.114 ( -8.723 0.265 0.000) 8.727 26.114 ( 8.723 -0.265 0.000) 8.727 26.114 ( 8.723 0.265 0.000) 8.727 34.863 ( -35.924 -1.454 0.000) 35.954 34.863 ( -35.924 1.455 0.000) 35.954 34.863 ( 35.924 -1.454 0.000) 35.954 34.863 ( 35.924 1.454 0.000) 35.954 38.403 ( -16.052 -3.013 0.000) 16.332 38.403 ( -16.052 3.013 0.000) 16.332 38.403 ( 16.052 -3.013 0.000) 16.332 38.403 ( 16.052 3.013 0.000) 16.332 39.048 ( -7.043 -0.399 0.000) 7.054 39.048 ( -7.043 0.399 0.000) 7.054 39.048 ( 7.043 -0.399 0.000) 7.054 39.048 ( 7.043 0.399 0.000) 7.054 44.619 ( -24.440 -1.855 0.000) 24.510 44.619 ( -24.440 1.855 0.000) 24.510 44.619 ( 24.440 -1.855 0.000) 24.510 44.619 ( 24.440 1.855 0.000) 24.510 58.459 ( -50.231 -4.658 0.000) 50.446 58.459 ( -50.231 4.659 0.000) 50.446 58.459 ( 50.231 -4.658 0.000) 50.446 58.459 ( 50.231 4.659 0.000) 50.446 ======================= Grid point 105 (33/96) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 0.000 0.000 13.314) 13.314 0.570 ( 0.000 0.000 27.663) 27.663 0.980 ( 0.000 0.000 -7.240) 7.240 1.188 ( 0.000 0.000 44.286) 44.286 2.162 ( 0.000 0.000 17.213) 17.213 2.357 ( 0.000 0.000 1.401) 1.401 2.576 ( 0.000 0.000 -4.855) 4.855 2.756 ( 0.000 0.000 4.273) 4.273 2.837 ( 0.000 0.000 3.461) 3.461 3.248 ( 0.000 0.000 0.163) 0.163 3.289 ( 0.000 0.000 4.376) 4.376 3.323 ( 0.000 0.000 -1.537) 1.537 3.540 ( 0.000 0.000 -6.461) 6.461 3.871 ( 0.000 0.000 -3.311) 3.311 3.884 ( 0.000 0.000 -1.984) 1.984 4.072 ( 0.000 0.000 5.821) 5.821 4.344 ( 0.000 0.000 -1.958) 1.958 4.455 ( 0.000 0.000 -2.789) 2.789 4.481 ( 0.000 0.000 -4.057) 4.057 4.642 ( 0.000 0.000 0.441) 0.441 4.676 ( 0.000 0.000 1.111) 1.111 4.704 ( 0.000 0.000 -0.828) 0.828 4.743 ( 0.000 0.000 -0.498) 0.498 4.851 ( 0.000 0.000 -0.141) 0.141 4.974 ( 0.000 0.000 -8.508) 8.508 5.115 ( 0.000 0.000 1.846) 1.846 5.430 ( 0.000 0.000 10.647) 10.647 5.553 ( 0.000 0.000 -1.722) 1.722 5.696 ( 0.000 0.000 -41.887) 41.887 5.782 ( 0.000 0.000 -1.891) 1.891 6.215 ( 0.000 0.000 -4.078) 4.078 6.422 ( 0.000 0.000 -1.172) 1.172 6.647 ( 0.000 0.000 6.131) 6.131 6.702 ( 0.000 0.000 -3.729) 3.729 7.142 ( 0.000 0.000 2.114) 2.114 7.156 ( 0.000 0.000 1.902) 1.902 7.566 ( 0.000 0.000 1.007) 1.007 7.696 ( 0.000 0.000 -2.529) 2.529 7.882 ( 0.000 0.000 3.727) 3.727 7.897 ( 0.000 0.000 2.670) 2.670 7.955 ( 0.000 0.000 -6.858) 6.858 8.040 ( 0.000 0.000 -1.146) 1.146 8.319 ( 0.000 0.000 16.045) 16.045 8.355 ( 0.000 0.000 7.774) 7.774 8.448 ( 0.000 0.000 13.565) 13.565 9.732 ( 0.000 0.000 -10.319) 10.319 12.551 ( 0.000 0.000 0.959) 0.959 12.871 ( 0.000 0.000 -5.970) 5.970 15.914 ( 0.000 0.000 0.362) 0.362 15.954 ( 0.000 0.000 -1.157) 1.157 16.070 ( 0.000 0.000 1.629) 1.629 16.145 ( 0.000 0.000 -0.669) 0.669 17.384 ( 0.000 0.000 0.318) 0.318 17.414 ( 0.000 0.000 -0.356) 0.356 17.589 ( 0.000 0.000 2.150) 2.150 17.772 ( 0.000 0.000 -1.963) 1.963 20.807 ( 0.000 0.000 0.054) 0.054 20.813 ( 0.000 0.000 -0.064) 0.064 20.888 ( 0.000 0.000 0.009) 0.009 20.888 ( 0.000 0.000 0.001) 0.001 25.935 ( 0.000 0.000 0.190) 0.190 25.974 ( 0.000 0.000 -0.694) 0.694 26.559 ( 0.000 0.000 0.721) 0.721 26.599 ( 0.000 0.000 -0.197) 0.197 33.528 ( 0.000 0.000 2.318) 2.318 33.707 ( 0.000 0.000 -1.704) 1.704 37.258 ( 0.000 0.000 4.650) 4.650 37.767 ( 0.000 0.000 -7.420) 7.420 38.036 ( 0.000 0.000 0.146) 0.146 38.049 ( 0.000 0.000 -0.156) 0.156 38.538 ( 0.000 0.000 0.190) 0.190 38.554 ( 0.000 0.000 -0.180) 0.180 38.982 ( 0.000 0.000 3.467) 3.467 39.499 ( 0.000 0.000 -9.164) 9.164 40.204 ( 0.000 0.000 8.906) 8.906 40.500 ( 0.000 0.000 2.626) 2.626 43.448 ( 0.000 0.000 0.065) 0.065 43.463 ( 0.000 0.000 -0.245) 0.245 46.492 ( 0.000 0.000 1.917) 1.917 46.732 ( 0.000 0.000 -3.489) 3.489 57.579 ( 0.000 0.000 1.563) 1.563 57.800 ( 0.000 0.000 -3.356) 3.356 64.595 ( 0.000 0.000 1.379) 1.379 64.798 ( 0.000 0.000 -3.282) 3.282 ======================= Grid point 106 (34/96) ======================= q-point: ( 0.17 0.00 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 18.921 0.000 6.859) 20.126 1.067 ( 8.326 0.000 -6.568) 10.605 1.353 ( 29.597 0.000 35.905) 46.531 1.816 ( 63.293 0.000 28.251) 69.312 2.196 ( -14.111 0.000 1.770) 14.222 2.426 ( -13.387 0.000 -4.180) 14.024 2.646 ( 41.240 0.000 -0.362) 41.241 2.770 ( 0.776 0.000 3.571) 3.654 2.836 ( -0.277 0.000 2.856) 2.869 3.309 ( 4.146 0.000 7.784) 8.819 3.324 ( 5.925 0.000 0.005) 5.925 3.381 ( 4.148 0.000 -1.261) 4.336 3.864 ( 2.095 0.000 -0.991) 2.318 3.951 ( 5.052 0.000 -3.347) 6.061 4.002 ( 15.118 0.000 -14.146) 20.704 4.136 ( 5.877 0.000 4.695) 7.522 4.167 ( -12.670 0.000 -5.097) 13.657 4.366 ( 1.838 0.000 -1.581) 2.424 4.460 ( -2.942 0.000 -7.334) 7.903 4.613 ( -2.865 0.000 0.597) 2.927 4.644 ( -2.889 0.000 0.481) 2.929 4.696 ( -1.330 0.000 -0.659) 1.484 4.710 ( -3.004 0.000 -0.294) 3.019 4.763 ( -4.465 0.000 3.751) 5.832 5.030 ( 0.593 0.000 -1.486) 1.600 5.258 ( 9.933 0.000 -8.095) 12.814 5.296 ( -8.381 0.000 1.252) 8.473 5.550 ( -7.187 0.000 -19.949) 21.204 5.615 ( 4.566 0.000 1.881) 4.938 5.763 ( -4.614 0.000 -12.900) 13.700 6.289 ( 3.616 0.000 -5.322) 6.434 6.439 ( 1.506 0.000 -2.985) 3.343 6.847 ( 17.628 0.000 4.535) 18.202 6.931 ( 13.141 0.000 -2.321) 13.345 7.087 ( -3.783 0.000 0.804) 3.867 7.216 ( 3.390 0.000 -0.051) 3.391 7.577 ( 1.060 0.000 0.916) 1.401 7.598 ( -20.363 0.000 14.137) 24.789 7.691 ( -0.518 0.000 -2.088) 2.151 7.873 ( -5.591 0.000 -2.591) 6.162 7.904 ( 0.667 0.000 2.209) 2.307 8.029 ( -1.078 0.000 -1.036) 1.495 8.181 ( -12.875 0.000 18.582) 22.607 8.289 ( -1.242 0.000 8.177) 8.271 8.461 ( 0.120 0.000 8.595) 8.596 8.984 ( -8.042 0.000 5.994) 10.030 12.123 ( -44.970 0.000 6.928) 45.501 12.436 ( -32.579 0.000 -3.291) 32.745 15.985 ( 6.386 0.000 0.216) 6.389 16.115 ( 4.801 0.000 -2.390) 5.363 16.266 ( 11.564 0.000 0.435) 11.572 16.368 ( 10.818 0.000 -3.201) 11.282 17.480 ( 10.418 0.000 1.106) 10.476 17.561 ( 15.143 0.000 -0.650) 15.157 17.709 ( 10.813 0.000 4.551) 11.732 18.796 ( 33.729 0.000 -43.477) 55.027 20.813 ( 0.516 0.000 0.051) 0.519 20.817 ( 0.493 0.000 -0.062) 0.497 20.882 ( -0.564 0.000 0.019) 0.565 20.883 ( -0.509 0.000 -0.008) 0.509 25.941 ( 1.868 0.000 0.589) 1.958 26.009 ( 3.473 0.000 -1.075) 3.636 26.499 ( -5.744 0.000 0.537) 5.769 26.538 ( -5.294 0.000 -0.345) 5.306 34.138 ( 41.093 0.000 1.984) 41.141 35.451 ( 89.841 0.000 -74.179) 116.507 37.167 ( -9.738 0.000 4.806) 10.859 37.615 ( -12.218 0.000 -0.309) 12.222 38.070 ( 3.364 0.000 0.148) 3.367 38.083 ( 3.387 0.000 -0.159) 3.391 38.504 ( -3.366 0.000 0.188) 3.371 38.520 ( -3.384 0.000 -0.177) 3.389 38.860 ( -6.175 0.000 8.824) 10.770 39.591 ( 4.124 0.000 -10.385) 11.174 40.004 ( -15.706 0.000 10.289) 18.776 40.840 ( 7.926 0.000 -37.671) 38.496 43.736 ( 27.298 0.000 0.890) 27.312 43.881 ( 39.078 0.000 -4.295) 39.313 46.090 ( -26.639 0.000 19.479) 33.001 46.603 ( -13.195 0.000 -3.988) 13.785 58.237 ( 43.200 0.000 0.259) 43.201 59.791 ( 129.302 0.000 -109.940) 169.723 64.004 ( -48.434 0.000 11.861) 49.865 64.576 ( -22.146 0.000 0.592) 22.154 ======================= Grid point 107 (35/96) ======================= q-point: ( 0.33 0.00 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 19.991 0.000 3.517) 20.298 1.261 ( 9.318 0.000 -4.731) 10.450 1.847 ( 26.219 0.000 34.193) 43.089 1.898 ( -13.844 0.000 1.500) 13.925 2.121 ( -16.619 0.000 -3.843) 17.058 2.784 ( 0.762 0.000 3.187) 3.277 2.823 ( -1.010 0.000 2.627) 2.814 2.850 ( 11.768 0.000 14.889) 18.978 3.245 ( 24.027 0.000 7.463) 25.160 3.348 ( 11.110 0.000 -5.839) 12.551 3.413 ( 2.709 0.000 -0.603) 2.775 3.436 ( 1.281 0.000 -1.078) 1.674 3.890 ( -5.814 0.000 -2.633) 6.383 3.970 ( 7.974 0.000 0.013) 7.974 4.070 ( 6.142 0.000 -2.524) 6.641 4.270 ( 7.159 0.000 2.533) 7.594 4.323 ( -2.197 0.000 -3.296) 3.961 4.388 ( -0.371 0.000 -0.400) 0.546 4.526 ( 15.239 0.000 -11.909) 19.340 4.537 ( -4.518 0.000 0.788) 4.586 4.583 ( -3.334 0.000 -0.379) 3.355 4.623 ( -3.721 0.000 0.064) 3.722 4.669 ( -2.191 0.000 -0.729) 2.310 4.764 ( 11.309 0.000 7.952) 13.825 5.035 ( 2.884 0.000 5.269) 6.007 5.120 ( -8.351 0.000 -13.942) 16.252 5.369 ( -1.898 0.000 -2.610) 3.227 5.477 ( -4.391 0.000 -15.627) 16.233 5.665 ( 2.339 0.000 -1.030) 2.555 5.833 ( 17.145 0.000 -2.186) 17.284 6.239 ( -8.787 0.000 -1.566) 8.926 6.486 ( 2.006 0.000 -0.797) 2.159 6.855 ( -12.831 0.000 -4.131) 13.480 6.897 ( -13.904 0.000 -7.020) 15.575 7.141 ( 5.290 0.000 2.892) 6.029 7.340 ( -0.910 0.000 5.775) 5.847 7.532 ( 12.333 0.000 -0.324) 12.338 7.605 ( 1.773 0.000 0.604) 1.873 7.674 ( -1.308 0.000 -1.034) 1.668 7.771 ( -5.533 0.000 3.676) 6.643 7.925 ( 1.518 0.000 1.102) 1.876 8.000 ( -1.850 0.000 -0.674) 1.969 8.004 ( 1.544 0.000 14.681) 14.762 8.284 ( -2.964 0.000 3.072) 4.269 8.647 ( 26.176 0.000 6.259) 26.914 9.339 ( 33.886 0.000 -15.549) 37.283 11.061 ( -57.900 0.000 13.652) 59.487 11.598 ( -50.710 0.000 -3.617) 50.839 16.097 ( 4.699 0.000 -0.278) 4.707 16.174 ( 1.258 0.000 -2.135) 2.478 16.474 ( 7.766 0.000 0.857) 7.813 16.511 ( 4.807 0.000 0.439) 4.826 17.713 ( 12.114 0.000 2.670) 12.405 17.876 ( 7.910 0.000 3.961) 8.847 18.018 ( 25.496 0.000 -0.243) 25.497 18.921 ( -11.348 0.000 -19.189) 22.294 20.827 ( 0.904 0.000 0.040) 0.905 20.831 ( 0.861 0.000 -0.058) 0.863 20.867 ( -0.943 0.000 0.035) 0.943 20.869 ( -0.887 0.000 -0.018) 0.887 26.013 ( 5.318 0.000 0.177) 5.321 26.102 ( 5.581 0.000 -2.104) 5.964 26.350 ( -8.279 0.000 1.520) 8.417 26.419 ( -6.888 0.000 -0.510) 6.907 35.122 ( 54.677 0.000 6.583) 55.072 36.497 ( 26.867 0.000 -34.997) 44.120 36.860 ( -19.378 0.000 3.899) 19.767 37.353 ( -14.542 0.000 -2.265) 14.717 38.161 ( 5.825 0.000 0.151) 5.827 38.176 ( 5.861 0.000 -0.170) 5.864 38.412 ( -5.826 0.000 0.187) 5.829 38.428 ( -5.860 0.000 -0.168) 5.862 38.826 ( 3.686 0.000 9.674) 10.353 39.405 ( -20.990 0.000 2.036) 21.089 39.957 ( 11.318 0.000 -2.985) 11.705 40.663 ( -19.010 0.000 -26.323) 32.470 44.354 ( 33.413 0.000 3.936) 33.644 44.732 ( 41.820 0.000 -9.102) 42.799 45.613 ( -22.341 0.000 16.322) 27.668 46.226 ( -25.165 0.000 -4.789) 25.616 59.374 ( 69.589 0.000 6.147) 69.860 61.357 ( 26.341 0.000 -60.367) 65.864 63.121 ( -27.346 0.000 -2.417) 27.453 64.009 ( -33.941 0.000 -10.166) 35.431 ======================= Grid point 108 (36/96) ======================= q-point: (-0.50 0.00 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -12.850 0.000 0.708) 12.869 1.249 ( 12.850 0.000 0.708) 12.869 1.836 ( -9.644 0.000 -2.570) 9.980 1.836 ( 9.644 0.000 -2.570) 9.980 2.414 ( -31.080 0.000 20.400) 37.177 2.414 ( 31.080 0.000 20.400) 37.177 2.802 ( -1.048 0.000 2.861) 3.047 2.802 ( 1.048 0.000 2.861) 3.047 3.441 ( -0.551 0.000 -0.972) 1.118 3.441 ( 0.551 0.000 -0.972) 1.118 3.613 ( -11.159 0.000 -5.030) 12.241 3.613 ( 11.159 0.000 -5.030) 12.241 3.970 ( -26.579 0.000 6.333) 27.323 3.970 ( 26.579 0.000 6.333) 27.323 4.109 ( -3.911 0.000 -0.564) 3.951 4.109 ( 3.911 0.000 -0.564) 3.951 4.368 ( -1.567 0.000 -0.082) 1.569 4.368 ( 1.567 0.000 -0.082) 1.569 4.496 ( -2.863 0.000 1.347) 3.164 4.496 ( 2.863 0.000 1.347) 3.164 4.622 ( -2.167 0.000 -0.911) 2.350 4.622 ( 2.167 0.000 -0.911) 2.350 4.853 ( -14.219 0.000 -13.690) 19.738 4.853 ( 14.219 0.000 -13.690) 19.738 5.116 ( -9.036 0.000 -0.881) 9.079 5.116 ( 9.036 0.000 -0.881) 9.079 5.312 ( -5.238 0.000 -0.435) 5.256 5.312 ( 5.238 0.000 -0.435) 5.256 5.921 ( -17.519 0.000 0.673) 17.532 5.921 ( 17.519 0.000 0.673) 17.532 6.294 ( -22.458 0.000 3.141) 22.676 6.294 ( 22.458 0.000 3.141) 22.676 6.708 ( -5.165 0.000 -15.526) 16.363 6.708 ( 5.165 0.000 -15.526) 16.363 7.253 ( -6.090 0.000 2.675) 6.651 7.253 ( 6.090 0.000 2.675) 6.651 7.642 ( -1.868 0.000 -0.028) 1.868 7.642 ( 1.868 0.000 -0.028) 1.868 7.649 ( -5.311 0.000 9.930) 11.261 7.649 ( 5.311 0.000 9.930) 11.261 7.960 ( -2.033 0.000 0.026) 2.033 7.960 ( 2.033 0.000 0.026) 2.033 8.174 ( -8.245 0.000 2.022) 8.489 8.174 ( 8.245 0.000 2.022) 8.489 9.462 ( -43.576 0.000 -7.471) 44.212 9.462 ( 43.576 0.000 -7.471) 44.212 10.636 ( -36.861 0.000 6.040) 37.353 10.636 ( 36.861 0.000 6.040) 37.353 16.165 ( -2.135 0.000 -1.248) 2.473 16.165 ( 2.135 0.000 -1.248) 2.473 16.554 ( -0.647 0.000 0.827) 1.050 16.554 ( 0.647 0.000 0.827) 1.050 17.895 ( -5.132 0.000 4.849) 7.061 17.895 ( 5.132 0.000 4.849) 7.061 18.541 ( -25.242 0.000 -7.663) 26.380 18.541 ( 25.242 0.000 -7.663) 26.380 20.846 ( -0.711 0.000 -0.038) 0.712 20.846 ( 0.711 0.000 -0.038) 0.712 20.851 ( -0.658 0.000 0.038) 0.659 20.851 ( 0.658 0.000 0.038) 0.659 26.133 ( -5.514 0.000 -1.486) 5.711 26.133 ( 5.514 0.000 -1.486) 5.711 26.287 ( -5.025 0.000 1.058) 5.135 26.287 ( 5.025 0.000 1.058) 5.135 36.112 ( -43.880 0.000 5.654) 44.243 36.112 ( 43.880 0.000 5.654) 44.243 37.037 ( -18.329 0.000 -12.702) 22.301 37.037 ( 18.329 0.000 -12.702) 22.301 38.285 ( -5.474 0.000 0.004) 5.474 38.285 ( 5.474 0.000 0.004) 5.474 38.304 ( -5.515 0.000 -0.004) 5.515 38.304 ( 5.515 0.000 -0.004) 5.515 39.021 ( -15.983 0.000 8.104) 17.920 39.021 ( 15.983 0.000 8.104) 17.920 40.269 ( -19.303 0.000 -13.612) 23.620 40.269 ( 19.303 0.000 -13.612) 23.620 44.956 ( -24.977 0.000 4.767) 25.428 44.956 ( 24.977 0.000 4.767) 25.428 45.650 ( -31.160 0.000 -2.590) 31.267 45.650 ( 31.160 0.000 -2.590) 31.267 60.762 ( -65.895 0.000 2.472) 65.942 60.762 ( 65.895 0.000 2.472) 65.942 63.327 ( -33.114 0.000 -27.277) 42.902 63.327 ( 33.114 0.000 -27.277) 42.902 ======================= Grid point 112 (37/96) ======================= q-point: ( 0.00 0.07 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 14.305 19.923) 24.527 0.994 ( 0.000 30.101 15.408) 33.815 1.321 ( 0.000 23.503 31.680) 39.446 1.492 ( 0.000 39.893 -5.329) 40.248 2.157 ( 0.000 0.471 15.225) 15.232 2.580 ( 0.000 20.518 1.308) 20.559 2.822 ( 0.000 20.429 -6.410) 21.411 2.953 ( 0.000 17.997 4.492) 18.549 3.034 ( 0.000 17.704 2.946) 17.948 3.214 ( 0.000 -3.338 6.446) 7.259 3.322 ( 0.000 0.252 0.313) 0.402 3.373 ( 0.000 10.112 0.129) 10.113 3.619 ( 0.000 6.378 -10.542) 12.321 3.994 ( 0.000 11.152 -1.665) 11.276 4.052 ( 0.000 16.037 -1.650) 16.122 4.168 ( 0.000 8.682 4.067) 9.587 4.379 ( 0.000 -0.946 -3.646) 3.767 4.526 ( 0.000 5.458 -0.061) 5.458 4.553 ( 0.000 8.153 -0.756) 8.188 4.705 ( 0.000 -0.714 -1.217) 1.411 4.754 ( 0.000 9.510 -0.771) 9.541 4.790 ( 0.000 5.653 0.064) 5.653 4.888 ( 0.000 6.368 0.222) 6.372 5.012 ( 0.000 1.695 -6.761) 6.970 5.076 ( 0.000 22.454 -21.166) 30.857 5.217 ( 0.000 10.445 1.465) 10.547 5.488 ( 0.000 6.031 9.308) 11.091 5.629 ( 0.000 7.195 -3.415) 7.964 5.682 ( 0.000 -1.043 -41.045) 41.059 5.835 ( 0.000 6.236 -2.672) 6.784 6.220 ( 0.000 0.486 -2.921) 2.961 6.418 ( 0.000 -0.255 -1.384) 1.408 6.616 ( 0.000 -2.772 5.360) 6.035 6.676 ( 0.000 -2.690 -3.576) 4.475 6.959 ( 0.000 -12.052 0.171) 12.054 7.038 ( 0.000 -9.326 -2.068) 9.552 7.449 ( 0.000 -10.381 13.673) 17.168 7.722 ( 0.000 -5.422 7.999) 9.664 7.782 ( 0.000 7.342 5.220) 9.009 7.839 ( 0.000 -3.481 1.349) 3.733 8.044 ( 0.000 0.302 -5.501) 5.510 8.187 ( 0.000 9.185 -7.703) 11.987 8.316 ( 0.000 -3.842 8.957) 9.746 8.346 ( 0.000 0.162 7.512) 7.514 8.492 ( 0.000 5.168 18.452) 19.162 9.676 ( 0.000 -2.437 -7.294) 7.690 12.502 ( 0.000 -4.697 0.930) 4.788 12.740 ( 0.000 -9.384 -1.069) 9.444 15.903 ( 0.000 -0.916 0.228) 0.944 15.945 ( 0.000 -0.900 -1.193) 1.495 16.062 ( 0.000 -0.726 1.618) 1.773 16.136 ( 0.000 -0.915 -0.553) 1.069 17.355 ( 0.000 -2.112 1.023) 2.347 17.398 ( 0.000 -1.539 -0.374) 1.584 17.564 ( 0.000 -1.722 1.496) 2.281 17.741 ( 0.000 -2.870 -2.030) 3.515 20.866 ( 0.000 5.501 0.367) 5.513 20.933 ( 0.000 4.305 0.002) 4.305 20.933 ( 0.000 4.337 0.005) 4.337 21.091 ( 0.000 15.528 -14.600) 21.314 25.916 ( 0.000 -1.473 0.681) 1.623 25.962 ( 0.000 -1.114 -0.703) 1.317 26.541 ( 0.000 -1.259 0.376) 1.314 26.583 ( 0.000 -1.434 -0.290) 1.463 33.515 ( 0.000 -1.193 2.233) 2.531 33.689 ( 0.000 -1.532 -1.776) 2.346 37.162 ( 0.000 -8.756 3.666) 9.492 37.284 ( 0.000 -27.364 15.773) 31.584 38.078 ( 0.000 3.656 0.267) 3.665 38.080 ( 0.000 1.240 1.421) 1.886 38.598 ( 0.000 4.092 -0.026) 4.092 38.662 ( 0.000 6.274 -4.761) 7.875 38.921 ( 0.000 -3.335 5.113) 6.104 39.448 ( 0.000 -4.898 -8.772) 10.047 40.157 ( 0.000 -4.399 8.344) 9.433 40.443 ( 0.000 -5.470 2.289) 5.929 43.443 ( 0.000 -0.492 0.101) 0.502 43.460 ( 0.000 -0.255 -0.269) 0.371 46.120 ( 0.000 -20.561 19.916) 28.625 46.642 ( 0.000 -8.527 -3.851) 9.356 57.526 ( 0.000 -5.012 1.490) 5.229 57.738 ( 0.000 -5.799 -3.349) 6.696 63.810 ( 0.000 -58.112 38.147) 69.514 64.328 ( 0.000 -25.071 -0.265) 25.073 ======================= Grid point 113 (38/96) ======================= q-point: ( 0.17 0.07 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 11.496 39.028 5.685) 41.082 1.384 ( 24.838 5.825 35.291) 43.547 1.559 ( 6.955 37.174 -2.895) 37.930 1.883 ( 58.620 9.120 22.676) 63.511 2.399 ( -13.900 18.076 1.652) 22.863 2.594 ( 17.773 7.611 -1.787) 19.416 2.707 ( 7.191 13.800 -3.406) 15.930 2.968 ( 0.519 18.152 3.647) 18.523 3.029 ( -0.208 17.735 2.975) 17.984 3.257 ( 3.271 -3.017 6.336) 7.742 3.449 ( 10.157 4.374 0.145) 11.060 3.466 ( 7.812 11.077 -0.050) 13.554 3.896 ( 15.361 -2.560 -9.190) 18.082 3.953 ( -3.670 7.627 -0.294) 8.469 4.074 ( 1.759 11.440 -3.071) 11.975 4.196 ( -10.812 4.437 -1.665) 11.805 4.248 ( 6.851 9.351 4.065) 12.285 4.446 ( -2.057 3.157 -4.006) 5.499 4.556 ( 1.356 9.800 -1.649) 10.030 4.694 ( -3.593 5.786 -2.047) 7.111 4.726 ( -3.967 7.981 -0.006) 8.912 4.774 ( -1.242 6.149 -0.295) 6.280 4.851 ( -2.878 10.323 0.769) 10.744 4.938 ( -4.099 10.476 -6.990) 13.244 5.121 ( 1.593 12.417 -5.030) 13.492 5.309 ( 7.743 4.205 -1.075) 8.876 5.362 ( -9.793 6.816 -6.476) 13.576 5.573 ( -4.679 2.538 -20.547) 21.226 5.659 ( 1.926 5.102 2.840) 6.149 5.779 ( -5.685 2.469 -9.294) 11.171 6.287 ( 2.931 -0.149 -4.420) 5.305 6.436 ( 1.745 -0.153 -3.170) 3.621 6.810 ( 14.248 -4.696 4.002) 15.526 6.851 ( 10.965 -8.402 0.186) 13.815 6.981 ( 3.733 -4.773 -2.142) 6.427 7.032 ( -2.140 -11.601 -2.935) 12.157 7.439 ( -2.444 -6.295 8.146) 10.582 7.650 ( -1.951 -8.095 8.080) 11.603 7.785 ( 0.909 12.450 3.657) 13.008 7.840 ( -0.181 -4.645 3.374) 5.744 8.012 ( -2.480 1.282 1.411) 3.129 8.052 ( -11.653 7.481 -2.042) 13.997 8.276 ( -6.298 3.436 10.024) 12.327 8.303 ( -0.153 3.649 3.790) 5.263 8.493 ( 0.759 3.124 8.706) 9.280 9.093 ( -16.671 10.090 1.120) 19.519 12.061 ( -44.185 -5.737 6.348) 45.006 12.376 ( -32.217 -5.695 -3.305) 32.883 15.974 ( 6.231 -1.014 0.178) 6.316 16.102 ( 4.998 -1.274 -2.594) 5.774 16.250 ( 10.960 -1.602 0.456) 11.085 16.314 ( 13.105 -4.567 -1.535) 13.963 17.463 ( 10.258 -1.562 1.004) 10.425 17.539 ( 14.601 -2.144 -0.577) 14.769 17.671 ( 10.178 -3.318 4.060) 11.449 18.454 ( 36.338 -23.923 -23.176) 49.294 20.870 ( 0.420 5.420 0.328) 5.446 20.928 ( -0.489 4.413 0.013) 4.440 20.929 ( -0.399 4.378 -0.010) 4.396 21.016 ( -5.360 13.380 -6.850) 15.959 25.932 ( 2.201 -0.864 0.513) 2.419 25.997 ( 3.525 -1.080 -1.057) 3.835 26.488 ( -5.497 -0.948 0.356) 5.590 26.526 ( -5.068 -1.165 -0.426) 5.217 34.101 ( 39.453 -3.553 1.654) 39.647 35.072 ( 93.503 -31.454 -49.894) 110.551 37.071 ( -9.714 -8.824 3.962) 13.708 37.258 ( -3.321 -23.926 11.341) 26.685 38.107 ( 3.108 2.562 0.792) 4.105 38.117 ( 3.575 2.712 0.709) 4.543 38.562 ( -3.519 4.015 -0.082) 5.340 38.604 ( -5.307 6.438 -2.943) 8.847 38.838 ( -5.208 -1.493 7.518) 9.266 39.520 ( 4.236 -6.425 -10.192) 12.771 39.956 ( -16.511 -4.580 9.730) 19.704 40.574 ( 3.468 -18.933 -16.290) 25.216 43.722 ( 26.880 -1.208 1.214) 26.935 43.854 ( 36.455 -2.173 -2.448) 36.602 45.921 ( -17.018 -11.912 18.970) 28.132 46.515 ( -12.948 -8.300 -4.214) 15.947 58.152 ( 41.675 -8.082 0.039) 42.452 59.148 ( 118.166 -47.489 -57.743) 139.830 63.408 ( -37.015 -45.472 32.092) 66.841 64.148 ( -19.416 -30.777 -0.522) 36.393 ======================= Grid point 114 (39/96) ======================= q-point: ( 0.33 0.07 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 14.168 35.757 3.716) 38.641 1.697 ( 9.182 34.275 -1.957) 35.537 1.858 ( 24.147 3.649 32.059) 40.301 2.096 ( -14.226 17.773 2.185) 22.870 2.356 ( -15.687 21.563 -3.649) 26.914 2.833 ( 6.135 -0.253 13.994) 15.282 2.974 ( 0.838 17.171 3.603) 17.565 3.009 ( -0.671 16.640 2.552) 16.848 3.200 ( 24.981 -1.004 7.051) 25.976 3.299 ( 10.713 -2.409 -6.721) 12.874 3.583 ( 2.176 10.210 -1.075) 10.494 3.622 ( 4.044 14.966 0.964) 15.533 3.828 ( -4.603 0.397 -1.317) 4.804 3.998 ( 2.060 0.321 1.555) 2.601 4.208 ( 9.994 10.247 -4.136) 14.899 4.312 ( 7.701 6.154 -4.900) 11.008 4.390 ( 5.598 6.807 0.821) 8.852 4.483 ( 3.991 5.390 -1.752) 6.931 4.579 ( -5.391 4.799 -4.009) 8.256 4.597 ( 3.169 8.994 0.995) 9.587 4.645 ( -1.702 8.610 -0.708) 8.805 4.753 ( -0.693 7.940 -0.960) 8.028 4.810 ( -0.527 15.549 -2.061) 15.694 4.934 ( 8.569 9.828 2.189) 13.221 5.146 ( 2.423 11.853 3.182) 12.510 5.155 ( -9.473 4.501 -13.493) 17.090 5.435 ( 0.255 5.423 -3.156) 6.280 5.512 ( -3.832 4.929 -10.831) 12.502 5.663 ( -0.385 0.348 -0.565) 0.768 5.830 ( 16.521 -0.051 -1.940) 16.635 6.226 ( -9.225 -1.240 -1.190) 9.383 6.483 ( 1.807 -0.077 -0.999) 2.066 6.775 ( -6.415 -8.198 -4.604) 11.382 6.824 ( -15.741 -4.889 -9.171) 18.862 7.065 ( 3.986 -5.607 1.029) 6.956 7.228 ( 0.453 -6.890 3.654) 7.812 7.432 ( 13.585 -5.400 2.476) 14.827 7.674 ( -0.160 -6.689 3.694) 7.643 7.738 ( -9.572 -3.175 9.040) 13.544 7.794 ( 0.284 11.283 2.368) 11.532 7.959 ( 4.639 6.913 -0.479) 8.339 8.046 ( 0.994 5.373 0.202) 5.468 8.163 ( -1.087 10.649 6.538) 12.543 8.310 ( -1.773 3.276 1.939) 4.200 8.642 ( 23.117 -0.055 6.079) 23.903 9.320 ( 30.964 -1.538 -14.978) 34.431 11.005 ( -58.055 -5.313 13.053) 59.741 11.537 ( -50.887 -5.830 -3.622) 51.348 16.085 ( 4.663 -1.168 -0.327) 4.818 16.162 ( 1.224 -1.221 -2.181) 2.784 16.450 ( 7.585 -2.356 0.920) 7.996 16.481 ( 5.221 -2.801 0.618) 5.957 17.691 ( 11.704 -2.099 2.484) 12.147 17.841 ( 7.478 -3.199 4.137) 9.125 17.964 ( 24.208 -5.008 -0.847) 24.735 18.724 ( -4.379 -16.790 -15.037) 22.960 20.882 ( 0.730 5.183 0.224) 5.239 20.915 ( -0.814 4.590 0.043) 4.661 20.919 ( -0.468 4.784 -0.072) 4.807 20.938 ( -2.372 8.869 -1.560) 9.312 26.007 ( 5.436 -0.520 0.132) 5.463 26.092 ( 5.680 -0.951 -2.033) 6.108 26.344 ( -8.154 -0.643 1.426) 8.303 26.408 ( -6.843 -0.951 -0.505) 6.927 35.052 ( 53.293 -6.547 5.937) 54.020 36.289 ( 35.876 -20.377 -33.518) 53.158 36.753 ( -22.266 -9.762 4.447) 24.716 37.134 ( -9.651 -17.910 1.503) 20.400 38.196 ( 5.861 2.795 0.613) 6.522 38.214 ( 6.134 3.367 0.261) 7.002 38.466 ( -6.284 4.112 -0.087) 7.510 38.480 ( -6.871 5.122 -1.078) 8.637 38.807 ( 3.358 -1.605 8.838) 9.590 39.365 ( -20.015 -3.757 1.115) 20.395 39.858 ( 8.923 -9.168 -2.127) 12.969 40.439 ( -14.533 -18.895 -18.228) 30.008 44.335 ( 33.182 -1.779 3.741) 33.439 44.678 ( 42.199 -4.824 -7.059) 43.056 45.539 ( -20.972 -6.217 14.514) 26.251 46.143 ( -24.957 -7.802 -4.705) 26.568 59.252 ( 67.435 -11.590 5.219) 68.623 60.935 ( 50.582 -39.819 -56.364) 85.563 62.596 ( -33.326 -42.113 18.316) 56.741 63.597 ( -35.567 -35.553 -9.167) 51.118 ======================= Grid point 115 (40/96) ======================= q-point: (-0.50 0.07 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -13.610 32.559 2.151) 35.355 1.654 ( 13.610 32.559 2.151) 35.355 2.068 ( -11.782 21.661 -3.297) 24.877 2.068 ( 11.782 21.661 -3.297) 24.877 2.400 ( -29.675 -0.369 21.273) 36.514 2.400 ( 29.675 -0.369 21.273) 36.514 2.989 ( -0.925 17.072 3.030) 17.363 2.989 ( 0.925 17.072 3.030) 17.363 3.527 ( -8.699 -1.726 -3.876) 9.678 3.527 ( 8.699 -1.726 -3.876) 9.678 3.631 ( -6.470 10.154 -2.176) 12.235 3.631 ( 6.470 10.154 -2.176) 12.235 3.890 ( -15.883 -0.445 5.375) 16.773 3.890 ( 15.883 -0.445 5.375) 16.773 4.322 ( -2.291 13.538 -0.438) 13.738 4.322 ( 2.291 13.538 -0.438) 13.738 4.446 ( -4.033 6.011 -0.864) 7.290 4.446 ( 4.033 6.011 -0.864) 7.290 4.565 ( -3.440 8.153 0.690) 8.876 4.565 ( 3.440 8.153 0.690) 8.876 4.738 ( -1.293 10.052 -1.737) 10.282 4.738 ( 1.293 10.052 -1.737) 10.282 4.920 ( -12.434 5.586 -15.001) 20.269 4.920 ( 12.434 5.586 -15.001) 20.269 5.214 ( -6.023 9.803 0.898) 11.541 5.214 ( 6.023 9.803 0.898) 11.541 5.372 ( -1.627 6.742 1.633) 7.126 5.372 ( 1.627 6.742 1.633) 7.126 5.904 ( -17.857 -1.641 0.591) 17.942 5.904 ( 17.857 -1.641 0.591) 17.942 6.285 ( -22.743 -0.823 2.140) 22.859 6.285 ( 22.743 -0.823 2.140) 22.859 6.661 ( -3.672 -3.966 -14.855) 15.808 6.661 ( 3.672 -3.966 -14.855) 15.808 7.151 ( -4.684 -7.287 1.435) 8.781 7.151 ( 4.684 -7.287 1.435) 8.781 7.562 ( -4.442 -5.206 9.503) 11.711 7.562 ( 4.442 -5.206 9.503) 11.711 7.775 ( -3.256 5.891 0.884) 6.789 7.775 ( 3.256 5.891 0.884) 6.789 8.022 ( -1.872 4.936 1.578) 5.510 8.022 ( 1.872 4.936 1.578) 5.510 8.234 ( -5.204 7.104 1.023) 8.865 8.234 ( 5.204 7.104 1.023) 8.865 9.429 ( -43.395 -3.084 -6.984) 44.061 9.429 ( 43.395 -3.084 -6.984) 44.061 10.572 ( -37.009 -6.142 5.727) 37.950 10.572 ( 37.009 -6.142 5.727) 37.950 16.152 ( -2.112 -1.232 -1.293) 2.766 16.152 ( 2.112 -1.232 -1.293) 2.766 16.528 ( -0.600 -2.522 0.931) 2.755 16.528 ( 0.600 -2.522 0.931) 2.755 17.864 ( -4.692 -2.913 4.559) 7.162 17.864 ( 4.692 -2.913 4.559) 7.162 18.440 ( -21.860 -9.094 -6.917) 24.666 18.440 ( 21.860 -9.094 -6.917) 24.666 20.898 ( -0.888 4.872 0.111) 4.953 20.898 ( 0.888 4.872 0.111) 4.953 20.915 ( -0.226 5.982 -0.329) 5.995 20.915 ( 0.226 5.982 -0.329) 5.995 26.128 ( -5.361 -0.466 -1.554) 5.602 26.128 ( 5.361 -0.466 -1.554) 5.602 26.278 ( -4.905 -0.890 1.108) 5.107 26.278 ( 4.905 -0.890 1.108) 5.107 36.024 ( -43.354 -8.226 5.235) 44.437 36.024 ( 43.354 -8.226 5.235) 44.437 36.868 ( -18.135 -15.774 -11.687) 26.726 36.868 ( 18.135 -15.774 -11.687) 26.726 38.326 ( -6.269 3.661 0.000) 7.260 38.326 ( 6.269 3.661 0.000) 7.260 38.347 ( -5.981 3.899 -0.109) 7.140 38.347 ( 5.981 3.899 -0.109) 7.140 38.993 ( -15.462 -2.574 7.507) 17.380 38.993 ( 15.462 -2.574 7.507) 17.380 40.120 ( -16.202 -13.503 -11.234) 23.897 40.120 ( 16.202 -13.503 -11.234) 23.897 44.934 ( -25.024 -2.118 4.530) 25.519 44.934 ( 25.024 -2.118 4.530) 25.519 45.565 ( -31.744 -7.757 -2.377) 32.764 45.565 ( 31.744 -7.757 -2.377) 32.764 60.596 ( -63.019 -15.691 1.049) 64.952 60.596 ( 63.019 -15.691 1.049) 64.952 62.825 ( -40.426 -44.857 -19.624) 63.495 62.825 ( 40.426 -44.857 -19.624) 63.495 ======================= Grid point 119 (41/96) ======================= q-point: ( 0.00 0.14 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 21.871 11.028) 24.494 1.301 ( 0.000 12.981 34.429) 36.794 2.142 ( 0.000 29.409 -0.262) 29.411 2.237 ( 0.000 21.043 18.023) 27.706 2.350 ( 0.000 40.951 -4.755) 41.226 3.119 ( 0.000 1.057 4.552) 4.673 3.121 ( 0.000 30.038 0.094) 30.038 3.270 ( 0.000 2.994 1.606) 3.398 3.359 ( 0.000 18.589 -1.521) 18.651 3.457 ( 0.000 22.785 -2.885) 22.967 3.496 ( 0.000 24.911 5.570) 25.527 3.675 ( 0.000 23.541 3.169) 23.753 3.752 ( 0.000 6.412 -14.928) 16.246 4.224 ( 0.000 8.082 5.072) 9.541 4.321 ( 0.000 -4.381 0.707) 4.437 4.390 ( 0.000 12.214 -3.525) 12.713 4.492 ( 0.000 23.485 -2.565) 23.624 4.656 ( 0.000 1.381 3.145) 3.435 4.660 ( 0.000 4.210 1.574) 4.494 4.793 ( 0.000 10.211 3.059) 10.659 4.932 ( 0.000 8.775 5.154) 10.177 5.036 ( 0.000 18.966 -4.949) 19.601 5.061 ( 0.000 6.333 -8.312) 10.450 5.176 ( 0.000 20.794 0.998) 20.818 5.340 ( 0.000 5.469 -15.339) 16.285 5.459 ( 0.000 9.480 3.207) 10.008 5.696 ( 0.000 12.974 -10.310) 16.571 5.698 ( 0.000 6.351 -21.748) 22.657 5.824 ( 0.000 11.500 -5.142) 12.597 6.039 ( 0.000 11.349 -6.258) 12.960 6.236 ( 0.000 1.044 0.718) 1.267 6.423 ( 0.000 0.875 -2.234) 2.400 6.558 ( 0.000 -1.753 0.205) 1.765 6.578 ( 0.000 -6.408 -2.784) 6.987 6.765 ( 0.000 -6.112 -1.189) 6.226 6.874 ( 0.000 -5.979 -5.272) 7.971 7.294 ( 0.000 -6.183 15.151) 16.364 7.500 ( 0.000 -10.591 12.280) 16.216 7.755 ( 0.000 -4.356 0.649) 4.404 7.904 ( 0.000 -0.832 4.325) 4.404 8.116 ( 0.000 5.270 -5.435) 7.571 8.171 ( 0.000 -7.808 7.614) 10.906 8.331 ( 0.000 0.246 2.985) 2.995 8.345 ( 0.000 4.885 -0.038) 4.885 8.629 ( 0.000 7.411 16.998) 18.543 9.659 ( 0.000 0.053 -8.446) 8.446 12.367 ( 0.000 -8.181 0.838) 8.224 12.531 ( 0.000 -11.105 -1.111) 11.160 15.880 ( 0.000 -1.292 -0.074) 1.294 15.919 ( 0.000 -1.496 -1.255) 1.953 16.041 ( 0.000 -1.270 1.574) 2.022 16.109 ( 0.000 -1.606 -0.403) 1.655 17.308 ( 0.000 -2.478 0.639) 2.559 17.356 ( 0.000 -2.494 -0.437) 2.532 17.525 ( 0.000 -2.079 0.645) 2.177 17.666 ( 0.000 -4.169 -1.983) 4.616 21.017 ( 0.000 8.795 0.839) 8.835 21.058 ( 0.000 7.692 0.006) 7.692 21.059 ( 0.000 7.719 0.000) 7.719 21.313 ( 0.000 7.318 -10.376) 12.697 25.883 ( 0.000 -1.710 0.492) 1.780 25.931 ( 0.000 -1.859 -0.711) 1.990 26.515 ( 0.000 -1.307 -0.292) 1.340 26.546 ( 0.000 -2.020 -0.419) 2.063 33.482 ( 0.000 -1.989 2.017) 2.833 33.647 ( 0.000 -2.547 -1.919) 3.189 36.842 ( 0.000 -17.389 11.417) 20.802 36.930 ( 0.000 -13.174 1.918) 13.313 38.102 ( 0.000 0.855 2.643) 2.777 38.167 ( 0.000 4.667 0.122) 4.668 38.712 ( 0.000 6.790 0.136) 6.791 38.742 ( 0.000 1.316 -1.019) 1.664 38.901 ( 0.000 2.035 1.343) 2.438 39.308 ( 0.000 -8.415 -7.539) 11.298 40.031 ( 0.000 -7.761 6.905) 10.388 40.285 ( 0.000 -9.690 1.463) 9.800 43.429 ( 0.000 -0.824 0.193) 0.846 43.453 ( 0.000 -0.467 -0.329) 0.571 45.817 ( 0.000 -10.659 13.869) 17.492 46.407 ( 0.000 -13.621 -4.287) 14.280 57.381 ( 0.000 -8.875 1.327) 8.974 57.573 ( 0.000 -10.043 -3.234) 10.551 62.800 ( 0.000 -43.596 25.655) 50.585 63.632 ( 0.000 -40.973 -3.302) 41.105 ======================= Grid point 120 (42/96) ======================= q-point: ( 0.17 0.14 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 17.930 11.218 41.099) 46.221 1.721 ( 35.212 18.970 9.172) 41.035 2.358 ( 25.672 35.730 5.720) 44.367 2.381 ( 4.093 38.189 -4.570) 38.679 2.648 ( 32.820 5.822 -0.562) 33.337 2.884 ( -12.167 22.785 3.970) 26.134 3.164 ( -7.668 19.404 -3.490) 21.154 3.243 ( -1.452 6.785 3.908) 7.964 3.428 ( 1.899 22.156 2.108) 22.337 3.478 ( 4.137 21.260 1.368) 21.702 3.559 ( 11.283 12.464 2.403) 16.984 3.718 ( 5.863 15.195 0.572) 16.297 3.919 ( 9.319 4.043 -10.858) 14.869 4.086 ( -14.204 5.016 4.212) 15.641 4.310 ( -2.388 6.508 1.406) 7.074 4.344 ( 4.177 6.053 -0.733) 7.391 4.515 ( 1.386 16.486 -0.979) 16.573 4.569 ( 2.967 11.887 -4.435) 13.030 4.817 ( 3.063 13.205 3.043) 13.893 4.858 ( 4.197 6.278 -2.013) 7.816 4.899 ( -3.345 10.019 5.190) 11.768 4.989 ( -0.763 13.266 -7.282) 15.153 5.038 ( -1.967 14.348 -3.186) 14.829 5.203 ( -0.150 18.823 -2.069) 18.937 5.339 ( 2.954 3.842 -10.302) 11.385 5.458 ( -0.100 10.086 4.113) 10.893 5.520 ( -11.501 7.350 -18.983) 23.380 5.695 ( 1.212 11.434 -6.794) 13.355 5.854 ( -2.278 13.063 -2.189) 13.440 5.921 ( -8.098 11.443 -3.429) 14.432 6.287 ( 1.114 0.432 -1.567) 1.971 6.445 ( 2.885 1.273 -3.894) 5.010 6.614 ( -0.175 -10.183 -1.706) 10.327 6.698 ( 15.066 -7.617 0.421) 16.888 6.874 ( 1.929 -3.976 -3.506) 5.641 6.915 ( 7.320 -2.600 -3.659) 8.587 7.312 ( -1.443 -6.336 8.391) 10.613 7.461 ( 1.495 -8.991 9.620) 13.252 7.735 ( -1.686 -4.850 3.113) 6.004 7.910 ( 1.358 -0.949 5.162) 5.421 8.024 ( -5.281 -2.499 8.369) 10.207 8.175 ( -0.953 6.652 -4.844) 8.284 8.307 ( -2.610 0.318 3.812) 4.631 8.386 ( 4.648 3.671 0.153) 5.925 8.601 ( -0.993 7.366 11.435) 13.639 9.320 ( -19.629 10.048 -5.967) 22.844 11.907 ( -43.505 -8.902 5.046) 44.693 12.212 ( -31.927 -10.040 -3.195) 33.620 15.946 ( 5.796 -1.663 0.079) 6.031 16.064 ( 5.749 -2.362 -3.014) 6.907 16.203 ( 9.383 -2.888 0.553) 9.833 16.212 ( 13.239 -4.823 0.886) 14.119 17.420 ( 9.930 -2.566 0.712) 10.281 17.479 ( 13.055 -3.458 -0.506) 13.514 17.593 ( 8.117 -3.831 3.026) 9.472 18.041 ( 25.890 -15.668 -8.727) 31.495 21.020 ( 0.243 8.724 0.741) 8.759 21.055 ( -0.263 7.718 0.005) 7.722 21.056 ( -0.278 7.824 -0.013) 7.829 21.244 ( -5.826 8.789 -6.838) 12.568 25.909 ( 2.787 -1.321 0.343) 3.103 25.967 ( 3.658 -1.788 -0.994) 4.191 26.465 ( -5.256 -1.255 0.082) 5.404 26.495 ( -4.599 -1.691 -0.529) 4.928 34.001 ( 35.620 -5.928 0.996) 36.123 34.447 ( 74.918 -25.675 -17.056) 81.011 36.829 ( -3.218 -16.635 7.391) 18.485 36.839 ( -8.583 -14.670 3.842) 17.425 38.138 ( 3.663 0.859 2.728) 4.647 38.203 ( 3.635 4.724 0.118) 5.962 38.671 ( -3.881 5.789 -0.280) 6.975 38.707 ( -3.372 3.414 -0.744) 4.856 38.835 ( -5.395 2.243 3.067) 6.599 39.351 ( 3.148 -9.667 -8.903) 13.514 39.826 ( -17.744 -7.797 8.151) 21.026 40.220 ( -7.022 -15.456 -3.308) 17.296 43.693 ( 25.519 -1.587 1.308) 25.601 43.805 ( 32.245 -2.519 -1.307) 32.370 45.704 ( -11.175 -9.027 12.590) 19.102 46.287 ( -12.296 -13.211 -4.390) 18.574 57.916 ( 38.760 -14.616 -0.096) 41.424 58.312 ( 78.396 -31.654 -15.578) 85.968 62.508 ( -29.421 -41.841 24.002) 56.502 63.386 ( -24.673 -42.857 -4.353) 49.643 ======================= Grid point 121 (43/96) ======================= q-point: ( 0.33 0.14 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 22.426 7.373 34.938) 42.165 2.092 ( 11.347 31.326 5.091) 33.704 2.470 ( 2.740 28.145 -2.792) 28.416 2.600 ( -9.184 34.849 0.807) 36.048 2.877 ( -6.737 5.285 13.756) 16.203 2.928 ( -13.103 31.675 -4.102) 34.523 3.193 ( 17.625 2.013 -5.428) 18.551 3.271 ( 17.760 7.083 5.840) 19.992 3.413 ( 0.998 18.500 3.809) 18.914 3.516 ( 2.042 25.524 1.528) 25.651 3.704 ( -4.704 9.267 1.568) 10.511 3.936 ( 3.611 12.736 0.096) 13.238 3.967 ( 9.407 8.810 -1.445) 12.969 4.012 ( 1.140 2.285 -1.491) 2.957 4.404 ( 12.429 8.157 -3.912) 15.372 4.512 ( 4.567 8.685 -1.553) 9.935 4.537 ( 5.529 6.560 -2.246) 8.869 4.643 ( 2.200 13.275 -2.542) 13.694 4.769 ( -3.205 11.916 -7.927) 14.666 4.869 ( 1.252 12.679 0.494) 12.750 4.920 ( 2.005 21.442 5.009) 22.110 4.994 ( -0.904 15.774 -1.368) 15.859 5.067 ( 4.527 5.595 -11.016) 13.159 5.167 ( -2.266 18.588 -3.127) 18.985 5.343 ( -0.695 11.943 -6.810) 13.766 5.450 ( 1.989 14.693 1.519) 14.905 5.527 ( 9.979 3.229 -2.080) 10.693 5.724 ( -6.331 13.134 0.990) 14.614 5.751 ( -2.552 10.903 -2.797) 11.542 5.860 ( 8.176 5.131 -1.631) 9.790 6.193 ( -10.398 -1.701 0.210) 10.538 6.502 ( 1.482 2.626 -1.738) 3.480 6.602 ( -0.741 -7.130 -5.386) 8.966 6.707 ( -11.734 -6.197 -12.262) 18.068 6.957 ( 0.884 -4.672 0.667) 4.802 7.097 ( -1.275 -5.865 2.378) 6.456 7.322 ( 15.867 -5.428 4.343) 17.323 7.520 ( 2.609 -7.642 3.757) 8.906 7.630 ( -7.588 -5.903 10.764) 14.432 7.890 ( -0.970 -1.168 4.592) 4.836 8.108 ( 0.467 3.298 0.034) 3.331 8.161 ( 0.598 6.828 -0.297) 6.861 8.355 ( 13.842 5.664 4.095) 15.507 8.457 ( 1.452 10.375 0.352) 10.482 8.677 ( 12.277 4.341 5.019) 13.955 9.297 ( 20.174 -0.118 -13.082) 24.044 10.856 ( -58.644 -8.867 11.420) 60.400 11.368 ( -51.361 -10.455 -3.615) 52.539 16.052 ( 4.519 -1.997 -0.439) 4.960 16.126 ( 1.145 -2.171 -2.285) 3.353 16.381 ( 6.988 -4.262 1.055) 8.252 16.401 ( 5.933 -4.865 1.043) 7.743 17.634 ( 10.722 -3.292 1.970) 11.388 17.756 ( 6.485 -4.795 4.281) 9.131 17.835 ( 20.948 -6.995 -1.917) 22.168 18.347 ( 3.396 -18.055 -9.033) 20.472 21.026 ( 0.410 8.524 0.485) 8.548 21.046 ( -0.552 7.993 0.044) 8.012 21.054 ( 0.224 8.031 -0.134) 8.035 21.134 ( -4.664 9.505 -2.517) 10.883 25.993 ( 5.768 -0.816 0.025) 5.826 26.065 ( 5.965 -1.552 -1.818) 6.427 26.327 ( -7.908 -0.927 1.182) 8.050 26.382 ( -6.785 -1.502 -0.455) 6.964 34.872 ( 49.722 -10.450 4.419) 51.000 35.723 ( 49.650 -31.628 -21.420) 62.644 36.498 ( -25.321 -14.362 3.835) 29.362 36.741 ( -8.757 -19.459 1.549) 21.395 38.247 ( 7.492 1.758 2.202) 8.004 38.304 ( 6.512 4.984 0.049) 8.201 38.574 ( -6.109 6.178 -0.362) 8.696 38.599 ( -7.800 5.854 -1.703) 9.900 38.777 ( 1.654 -0.715 6.576) 6.819 39.259 ( -16.813 -6.321 -1.066) 17.993 39.614 ( 2.804 -13.699 0.320) 13.986 40.021 ( -12.370 -19.908 -7.606) 24.641 44.286 ( 32.379 -2.884 3.193) 32.664 44.557 ( 40.649 -6.526 -4.016) 41.365 45.398 ( -19.541 -6.938 10.185) 23.103 45.931 ( -24.098 -12.175 -4.337) 27.345 58.925 ( 62.033 -19.516 3.436) 65.121 59.939 ( 74.612 -50.410 -31.167) 95.287 61.724 ( -45.491 -40.906 22.639) 65.232 62.706 ( -44.052 -48.726 -8.031) 66.176 ======================= Grid point 122 (44/96) ======================= q-point: (-0.50 0.14 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -11.962 26.598 4.848) 29.564 2.304 ( 11.962 26.598 4.848) 29.564 2.432 ( -27.015 5.917 22.291) 35.520 2.432 ( 27.015 5.917 22.291) 35.520 2.692 ( -10.421 35.725 -4.546) 37.490 2.692 ( 10.421 35.725 -4.546) 37.490 3.343 ( -4.280 8.038 0.021) 9.106 3.343 ( 4.280 8.038 0.021) 9.106 3.582 ( -5.630 17.149 0.286) 18.052 3.582 ( 5.630 17.149 0.286) 18.052 3.789 ( -16.175 5.966 -1.009) 17.270 3.789 ( 16.175 5.966 -1.009) 17.270 4.056 ( -2.059 12.306 2.859) 12.801 4.056 ( 2.059 12.306 2.859) 12.801 4.539 ( -4.523 5.610 0.619) 7.233 4.539 ( 4.523 5.610 0.619) 7.233 4.608 ( -3.584 11.257 -5.057) 12.851 4.608 ( 3.584 11.257 -5.057) 12.851 4.840 ( -6.567 14.463 -9.070) 18.292 4.840 ( 6.567 14.463 -9.070) 18.292 4.976 ( -4.624 14.925 -2.539) 15.830 4.976 ( 4.624 14.925 -2.539) 15.830 5.093 ( -3.869 13.144 -3.951) 14.260 5.093 ( 3.869 13.144 -3.951) 14.260 5.491 ( -2.711 15.684 1.741) 16.011 5.491 ( 2.711 15.684 1.741) 16.011 5.621 ( -6.358 16.905 2.564) 18.242 5.621 ( 6.358 16.905 2.564) 18.242 5.862 ( -17.791 -1.913 0.726) 17.908 5.862 ( 17.791 -1.913 0.726) 17.908 6.263 ( -23.520 -1.373 -1.083) 23.585 6.263 ( 23.520 -1.373 -1.083) 23.585 6.587 ( -1.275 -2.132 -11.586) 11.849 6.587 ( 1.275 -2.132 -11.586) 11.849 7.004 ( -4.061 -6.714 0.650) 7.874 7.004 ( 4.061 -6.714 0.650) 7.874 7.450 ( -3.871 -5.234 8.592) 10.780 7.450 ( 3.871 -5.234 8.592) 10.780 7.796 ( -10.415 -3.221 1.463) 10.999 7.796 ( 10.415 -3.221 1.463) 10.999 8.125 ( -2.961 4.555 2.379) 5.931 8.125 ( 2.961 4.555 2.379) 5.931 8.472 ( -0.218 14.270 0.019) 14.272 8.472 ( 0.219 14.270 0.019) 14.272 9.346 ( -42.812 -4.665 -5.468) 43.411 9.346 ( 42.812 -4.665 -5.468) 43.411 10.395 ( -37.185 -10.814 4.749) 39.015 10.395 ( 37.185 -10.814 4.749) 39.015 16.116 ( -2.033 -2.165 -1.387) 3.278 16.116 ( 2.033 -2.165 -1.387) 3.278 16.453 ( -0.480 -4.638 1.167) 4.806 16.453 ( 0.480 -4.638 1.167) 4.806 17.785 ( -3.687 -4.423 3.769) 6.881 17.785 ( 3.687 -4.423 3.769) 6.881 18.211 ( -15.297 -12.213 -5.352) 20.292 18.211 ( 15.297 -12.213 -5.352) 20.292 21.035 ( -0.544 8.251 0.207) 8.272 21.035 ( 0.544 8.251 0.207) 8.272 21.072 ( -1.844 8.743 -0.680) 8.961 21.072 ( 1.844 8.743 -0.680) 8.961 26.115 ( -4.936 -0.682 -1.707) 5.267 26.115 ( 4.936 -0.682 -1.707) 5.267 26.253 ( -4.556 -1.453 1.238) 4.940 26.253 ( 4.556 -1.453 1.238) 4.940 35.799 ( -42.097 -13.141 4.179) 44.298 35.799 ( 42.097 -13.141 4.179) 44.298 36.442 ( -22.894 -24.285 -8.984) 34.564 36.442 ( 22.894 -24.285 -8.984) 34.564 38.415 ( -8.046 4.384 0.085) 9.163 38.415 ( 8.046 4.384 0.085) 9.163 38.448 ( -6.291 5.677 -0.106) 8.474 38.448 ( 6.291 5.677 -0.106) 8.474 38.927 ( -13.564 -3.469 5.962) 15.217 38.927 ( 13.564 -3.469 5.962) 15.217 39.779 ( -11.524 -18.277 -6.811) 22.655 39.779 ( 11.524 -18.277 -6.811) 22.655 44.873 ( -25.058 -3.612 3.908) 25.617 44.873 ( 25.058 -3.612 3.908) 25.617 45.365 ( -31.846 -11.027 -2.087) 33.766 45.365 ( 31.846 -11.027 -2.087) 33.766 60.159 ( -55.522 -25.710 -1.638) 61.208 60.159 ( 55.522 -25.710 -1.638) 61.208 61.726 ( -51.265 -57.269 -6.715) 77.156 61.726 ( 51.265 -57.269 -6.715) 77.156 ======================= Grid point 126 (45/96) ======================= q-point: ( 0.00 0.21 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 23.776 5.791) 24.471 1.631 ( 0.000 18.875 25.006) 31.330 2.318 ( 0.000 7.700 10.369) 12.916 3.066 ( 0.000 32.880 1.608) 32.919 3.086 ( 0.000 26.699 -5.249) 27.210 3.151 ( 0.000 8.989 5.745) 10.667 3.298 ( 0.000 5.066 2.411) 5.610 3.572 ( 0.000 6.928 -0.233) 6.932 3.705 ( 0.000 22.603 -5.846) 23.347 3.866 ( 0.000 7.928 -12.625) 14.908 4.048 ( 0.000 30.275 -4.585) 30.620 4.069 ( 0.000 23.720 8.841) 25.315 4.208 ( 0.000 -3.813 4.519) 5.913 4.288 ( 0.000 30.279 4.047) 30.548 4.309 ( 0.000 2.313 4.364) 4.939 4.628 ( 0.000 12.410 -0.144) 12.411 4.641 ( 0.000 -1.240 4.911) 5.065 4.764 ( 0.000 5.607 -3.184) 6.448 4.898 ( 0.000 14.762 -4.631) 15.471 4.942 ( 0.000 4.317 1.366) 4.528 5.051 ( 0.000 6.302 3.261) 7.096 5.388 ( 0.000 3.174 -9.240) 9.770 5.399 ( 0.000 15.799 -3.675) 16.221 5.502 ( 0.000 21.227 -6.998) 22.351 5.640 ( 0.000 15.912 3.038) 16.199 5.698 ( 0.000 29.130 1.757) 29.183 5.865 ( 0.000 8.871 -16.929) 19.112 6.048 ( 0.000 17.955 -5.192) 18.691 6.057 ( 0.000 9.283 -4.248) 10.209 6.194 ( 0.000 3.128 -4.938) 5.845 6.259 ( 0.000 1.594 0.940) 1.850 6.361 ( 0.000 -6.952 -4.614) 8.344 6.584 ( 0.000 8.356 0.301) 8.361 6.613 ( 0.000 6.961 -6.729) 9.681 6.682 ( 0.000 -2.308 -1.035) 2.530 6.800 ( 0.000 -0.422 -3.892) 3.915 7.191 ( 0.000 -3.070 13.304) 13.654 7.346 ( 0.000 -3.282 10.524) 11.024 7.674 ( 0.000 -3.215 0.719) 3.295 7.845 ( 0.000 -3.648 1.312) 3.877 7.998 ( 0.000 -8.562 8.102) 11.788 8.114 ( 0.000 -4.201 0.634) 4.249 8.386 ( 0.000 2.774 -0.352) 2.796 8.417 ( 0.000 1.927 1.314) 2.333 8.784 ( 0.000 7.367 12.813) 14.780 9.649 ( 0.000 -1.543 -8.458) 8.597 12.180 ( 0.000 -9.668 0.663) 9.691 12.289 ( 0.000 -12.250 -1.171) 12.305 15.852 ( 0.000 -1.353 -0.219) 1.370 15.886 ( 0.000 -1.643 -1.233) 2.054 16.012 ( 0.000 -1.526 1.456) 2.109 16.072 ( 0.000 -1.998 -0.255) 2.015 17.256 ( 0.000 -2.466 0.349) 2.491 17.301 ( 0.000 -2.677 -0.521) 2.728 17.480 ( 0.000 -2.253 0.407) 2.290 17.580 ( 0.000 -4.040 -1.631) 4.357 21.208 ( 0.000 9.496 0.883) 9.537 21.237 ( 0.000 9.487 -0.001) 9.487 21.238 ( 0.000 9.486 0.013) 9.486 21.431 ( 0.000 4.819 -5.443) 7.270 25.848 ( 0.000 -1.672 0.271) 1.694 25.889 ( 0.000 -2.070 -0.674) 2.177 26.488 ( 0.000 -1.268 -0.406) 1.331 26.506 ( 0.000 -1.789 -0.421) 1.838 33.438 ( 0.000 -2.251 1.728) 2.838 33.587 ( 0.000 -3.277 -1.800) 3.739 36.524 ( 0.000 -14.144 5.842) 15.303 36.646 ( 0.000 -14.101 0.560) 14.112 38.111 ( 0.000 -0.087 3.354) 3.355 38.257 ( 0.000 3.926 -0.437) 3.950 38.742 ( 0.000 -0.337 0.656) 0.737 38.862 ( 0.000 7.382 -0.317) 7.388 38.987 ( 0.000 5.490 -0.767) 5.544 39.121 ( 0.000 -9.180 -5.145) 10.524 39.851 ( 0.000 -9.461 5.110) 10.753 40.060 ( 0.000 -11.863 0.546) 11.875 43.411 ( 0.000 -0.900 0.295) 0.947 43.441 ( 0.000 -0.624 -0.387) 0.734 45.635 ( 0.000 -7.627 7.968) 11.030 46.112 ( 0.000 -14.639 -4.016) 15.180 57.176 ( 0.000 -10.798 1.157) 10.860 57.340 ( 0.000 -12.350 -2.735) 12.649 61.957 ( 0.000 -38.932 14.914) 41.691 62.730 ( 0.000 -45.363 -5.109) 45.650 ======================= Grid point 127 (46/96) ======================= q-point: ( 0.17 0.21 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 14.017 16.646 35.102) 41.300 2.089 ( 37.462 18.695 6.223) 42.328 2.714 ( 30.405 6.323 -1.828) 31.109 3.033 ( -1.015 16.291 3.459) 16.685 3.144 ( 6.117 34.374 3.080) 35.050 3.216 ( 5.405 13.909 -3.309) 15.285 3.407 ( -1.952 9.796 0.921) 10.031 3.452 ( 6.568 11.130 1.072) 12.967 3.827 ( 4.607 12.230 -7.963) 15.303 3.865 ( 1.669 18.523 -5.535) 19.404 3.930 ( -10.973 13.978 6.619) 18.963 4.042 ( 0.749 14.736 -4.908) 15.550 4.199 ( -2.567 20.983 5.340) 21.803 4.282 ( 7.353 9.042 6.629) 13.408 4.330 ( -6.919 12.342 0.687) 14.166 4.511 ( 6.735 10.380 2.235) 12.574 4.759 ( -3.865 7.456 -3.260) 9.009 4.841 ( 3.787 12.099 -5.424) 13.789 4.924 ( 10.579 1.907 -0.303) 10.754 5.028 ( 0.334 4.990 -2.101) 5.424 5.083 ( 7.515 12.831 1.721) 14.969 5.319 ( -3.378 6.374 -5.423) 9.025 5.415 ( 0.199 14.227 -4.103) 14.808 5.480 ( -1.480 19.183 -4.698) 19.806 5.642 ( -0.607 16.442 1.572) 16.528 5.695 ( -4.613 22.161 -6.491) 23.548 5.733 ( -3.601 16.191 -4.748) 17.253 5.991 ( -3.214 14.585 -2.776) 15.191 6.113 ( -4.391 7.474 -3.848) 9.484 6.165 ( 1.148 12.443 -2.626) 12.768 6.320 ( 1.417 2.772 3.098) 4.392 6.420 ( 5.714 -4.600 -5.663) 9.267 6.506 ( 1.157 -0.518 -1.976) 2.348 6.622 ( 1.854 4.292 -4.532) 6.512 6.831 ( 5.296 -0.608 -2.502) 5.888 6.879 ( 6.298 -0.244 -3.844) 7.382 7.208 ( -1.059 -2.769 7.684) 8.236 7.318 ( 1.504 -3.978 8.468) 9.476 7.650 ( -2.476 -3.005 3.083) 4.967 7.847 ( 0.707 -4.052 2.957) 5.066 7.931 ( -1.337 -5.342 8.899) 10.465 8.182 ( 4.019 -4.562 -2.046) 6.415 8.359 ( -1.769 3.042 1.091) 3.684 8.447 ( 3.952 1.626 0.508) 4.304 8.773 ( -0.356 8.572 9.909) 13.107 9.467 ( -13.667 4.052 -7.468) 16.093 11.712 ( -43.198 -9.730 3.766) 44.440 11.980 ( -32.197 -12.155 -2.820) 34.530 15.910 ( 5.173 -1.779 -0.023) 5.471 16.009 ( 6.638 -2.859 -3.009) 7.828 16.121 ( 9.622 -3.852 1.916) 10.540 16.141 ( 7.025 -3.269 0.533) 7.767 17.364 ( 9.626 -2.751 0.325) 10.017 17.406 ( 10.867 -3.438 -0.556) 11.411 17.523 ( 6.014 -2.930 2.153) 7.028 17.790 ( 15.802 -9.490 -4.212) 18.907 21.210 ( 0.174 9.503 0.772) 9.536 21.233 ( -0.231 9.394 0.036) 9.397 21.237 ( -0.174 9.559 -0.046) 9.560 21.392 ( -3.595 6.075 -4.181) 8.204 25.880 ( 3.361 -1.366 0.193) 3.633 25.928 ( 3.847 -1.971 -0.865) 4.408 26.439 ( -5.025 -1.179 -0.026) 5.161 26.461 ( -4.270 -1.610 -0.491) 4.590 33.867 ( 32.146 -6.938 0.590) 32.892 34.048 ( 49.957 -14.052 -5.096) 52.145 36.496 ( -3.425 -15.188 4.349) 16.166 36.547 ( -10.785 -14.397 1.011) 18.017 38.141 ( 3.318 -0.588 3.615) 4.942 38.294 ( 3.710 3.847 -0.441) 5.362 38.719 ( -1.719 0.749 0.606) 1.971 38.828 ( -3.520 7.197 -0.213) 8.014 38.925 ( -5.803 5.527 -0.409) 8.024 39.144 ( 1.834 -9.837 -5.915) 11.624 39.649 ( -18.134 -9.169 6.017) 21.193 39.924 ( -12.385 -13.649 -0.966) 18.456 43.659 ( 23.871 -1.611 1.116) 23.951 43.752 ( 28.577 -2.566 -0.973) 28.709 45.541 ( -9.627 -7.154 7.467) 14.129 46.001 ( -11.356 -14.143 -3.951) 18.563 57.583 ( 35.632 -16.829 0.591) 39.411 57.805 ( 49.077 -19.986 -5.498) 53.275 61.684 ( -27.622 -38.416 14.466) 49.477 62.459 ( -27.352 -45.994 -5.482) 53.792 ======================= Grid point 128 (47/96) ======================= q-point: ( 0.33 0.21 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 18.289 12.860 31.773) 38.851 2.594 ( 13.699 18.355 5.917) 23.655 2.911 ( -3.226 16.981 0.407) 17.290 2.994 ( -12.977 7.681 12.244) 19.425 3.229 ( -2.543 6.892 -2.076) 7.634 3.291 ( -0.284 14.416 -4.011) 14.967 3.467 ( 1.980 24.351 1.376) 24.470 3.576 ( 18.574 14.243 1.812) 23.477 3.759 ( -6.466 28.208 -1.094) 28.961 3.935 ( 1.734 10.483 -5.277) 11.864 4.024 ( 11.948 1.776 -0.948) 12.117 4.147 ( 1.955 22.340 2.390) 22.552 4.191 ( 0.810 20.230 0.907) 20.267 4.283 ( 9.249 19.797 0.288) 21.852 4.540 ( 16.101 7.593 1.313) 17.850 4.613 ( -3.297 5.164 -1.359) 6.276 4.661 ( 1.128 4.355 -2.575) 5.183 4.876 ( -3.066 3.818 -5.792) 7.585 5.046 ( 5.403 14.968 -8.130) 17.870 5.092 ( 4.898 10.434 -6.373) 13.171 5.232 ( 5.969 13.865 -1.626) 15.183 5.350 ( 3.440 13.139 -1.541) 13.669 5.434 ( -0.619 19.506 -3.882) 19.898 5.498 ( 5.589 10.962 -0.945) 12.341 5.600 ( 0.419 10.717 1.858) 10.885 5.614 ( 4.969 13.075 -2.487) 14.207 5.768 ( 3.892 20.590 1.874) 21.039 5.944 ( -2.515 11.108 1.775) 11.527 6.016 ( -4.357 8.352 -4.341) 10.372 6.131 ( -3.583 17.169 -1.139) 17.575 6.207 ( -9.144 7.061 3.569) 12.091 6.523 ( 4.204 -0.209 -4.627) 6.255 6.575 ( -6.379 -3.923 -7.222) 10.404 6.624 ( 0.987 6.946 -6.425) 9.513 6.873 ( -2.504 -3.541 0.602) 4.379 7.008 ( -1.613 -1.832 -0.123) 2.444 7.219 ( 16.960 -4.154 5.637) 18.348 7.383 ( 2.897 -5.006 3.187) 6.604 7.530 ( -7.982 -2.815 8.790) 12.202 7.814 ( -2.574 -5.381 3.454) 6.893 8.116 ( 6.468 -1.481 1.226) 6.747 8.252 ( 2.142 1.574 -1.347) 2.980 8.394 ( 16.627 -0.811 5.233) 17.450 8.634 ( 12.043 4.782 -3.422) 13.402 8.813 ( 6.435 8.212 5.643) 11.861 9.325 ( 4.715 2.447 -9.464) 10.853 10.661 ( -59.579 -9.682 9.092) 61.041 11.124 ( -52.031 -12.873 -3.506) 53.714 16.007 ( 4.211 -2.270 -0.527) 4.813 16.076 ( 1.071 -2.629 -2.342) 3.681 16.281 ( 5.971 -5.293 1.181) 8.066 16.291 ( 5.876 -5.664 1.393) 8.280 17.564 ( 9.675 -3.317 1.248) 10.304 17.655 ( 6.556 -4.877 2.845) 8.652 17.700 ( 15.929 -5.797 -1.349) 17.004 18.024 ( 5.396 -13.270 -5.181) 15.233 21.215 ( 0.290 9.530 0.487) 9.546 21.229 ( -0.328 9.490 0.020) 9.496 21.235 ( 0.321 9.386 -0.135) 9.392 21.314 ( -3.820 8.037 -2.022) 9.125 25.976 ( 6.252 -0.816 -0.076) 6.305 26.031 ( 6.378 -1.674 -1.473) 6.756 26.308 ( -7.703 -0.865 0.868) 7.800 26.350 ( -6.815 -1.585 -0.333) 7.005 34.646 ( 45.247 -11.182 2.835) 46.694 35.113 ( 51.407 -26.343 -9.785) 58.586 36.192 ( -26.280 -15.019 2.385) 30.363 36.348 ( -13.164 -18.658 -0.066) 22.834 38.257 ( 8.956 -0.909 3.503) 9.660 38.400 ( 7.042 3.981 -0.471) 8.103 38.690 ( -2.751 4.096 -1.211) 5.080 38.716 ( -8.637 5.999 -0.766) 10.543 38.803 ( -3.602 3.386 3.426) 6.014 39.120 ( -10.115 -6.829 -3.110) 12.594 39.334 ( -5.198 -12.827 3.412) 14.254 39.652 ( -13.959 -16.091 -3.278) 21.553 44.222 ( 31.077 -3.157 2.462) 31.333 44.424 ( 37.084 -6.329 -2.340) 37.693 45.263 ( -18.631 -6.208 6.350) 20.639 45.670 ( -22.466 -12.738 -3.603) 26.076 58.490 ( 55.644 -22.068 2.342) 59.906 59.034 ( 68.960 -37.224 -13.370) 79.497 60.924 ( -47.565 -37.060 14.658) 62.055 61.697 ( -49.563 -48.002 -6.157) 69.271 ======================= Grid point 129 (48/96) ======================= q-point: (-0.50 0.21 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -21.419 8.459 22.482) 32.183 2.544 ( 21.419 8.459 22.482) 32.183 2.823 ( -5.611 20.953 3.918) 22.042 2.823 ( 5.611 20.953 3.918) 22.042 3.226 ( -3.065 7.345 -1.683) 8.135 3.226 ( 3.065 7.345 -1.683) 8.135 3.569 ( -8.398 23.676 -3.498) 25.363 3.569 ( 8.398 23.676 -3.498) 25.363 3.892 ( -6.924 9.223 -3.628) 12.090 3.892 ( 6.924 9.223 -3.628) 12.090 4.153 ( -2.080 27.628 3.624) 27.943 4.153 ( 2.080 27.628 3.624) 27.943 4.301 ( -11.561 12.775 2.528) 17.414 4.301 ( 11.561 12.775 2.528) 17.414 4.619 ( -6.485 4.315 1.240) 7.887 4.619 ( 6.485 4.315 1.240) 7.887 4.762 ( -7.957 2.693 -10.421) 13.384 4.762 ( 7.957 2.693 -10.421) 13.384 5.124 ( -4.429 16.078 -10.162) 19.529 5.124 ( 4.429 16.078 -10.162) 19.529 5.338 ( -6.299 15.987 -2.473) 17.360 5.338 ( 6.299 15.987 -2.473) 17.360 5.478 ( -3.153 20.526 4.256) 21.199 5.478 ( 3.153 20.526 4.256) 21.199 5.778 ( -10.455 5.762 -0.652) 11.956 5.778 ( 10.455 5.762 -0.652) 11.956 5.844 ( -3.377 10.939 0.356) 11.454 5.844 ( 3.377 10.939 0.356) 11.454 6.026 ( -9.554 17.233 4.633) 20.241 6.026 ( 9.554 17.233 4.633) 20.241 6.236 ( -18.572 0.017 -6.042) 19.530 6.236 ( 18.572 0.017 -6.042) 19.530 6.607 ( -3.119 3.609 -4.947) 6.872 6.607 ( 3.119 3.609 -4.947) 6.872 6.899 ( -4.850 -2.289 0.088) 5.364 6.899 ( 4.850 -2.289 0.088) 5.364 7.373 ( -3.622 -1.341 6.390) 7.467 7.373 ( 3.622 -1.341 6.390) 7.467 7.684 ( -12.835 -7.098 1.070) 14.706 7.684 ( 12.835 -7.098 1.070) 14.706 8.191 ( -4.608 1.557 2.514) 5.475 8.191 ( 4.608 1.557 2.514) 5.475 8.733 ( -1.813 9.549 -1.056) 9.777 8.733 ( 1.813 9.549 -1.056) 9.777 9.261 ( -40.547 -2.781 -2.557) 40.723 9.261 ( 40.547 -2.781 -2.557) 40.723 10.146 ( -36.907 -13.085 3.146) 39.284 10.146 ( 36.907 -13.085 3.146) 39.284 16.067 ( -1.871 -2.569 -1.433) 3.486 16.067 ( 1.871 -2.569 -1.433) 3.486 16.344 ( -0.339 -5.865 1.348) 6.028 16.344 ( 0.339 -5.865 1.348) 6.028 17.694 ( -2.673 -4.275 2.618) 5.681 17.694 ( 2.673 -4.275 2.618) 5.681 17.973 ( -9.798 -10.502 -3.656) 14.821 17.973 ( 9.798 -10.502 -3.656) 14.821 21.221 ( -0.394 9.556 0.181) 9.566 21.221 ( 0.394 9.556 0.181) 9.566 21.257 ( -1.984 9.027 -0.661) 9.266 21.257 ( 1.984 9.027 -0.661) 9.266 26.102 ( -4.303 -0.586 -1.810) 4.705 26.102 ( 4.303 -0.586 -1.810) 4.705 26.221 ( -3.997 -1.617 1.364) 4.523 26.221 ( 3.997 -1.617 1.364) 4.523 35.513 ( -40.503 -14.154 2.922) 43.004 35.513 ( 40.503 -14.154 2.922) 43.004 35.932 ( -30.136 -24.360 -5.684) 39.165 35.932 ( 30.136 -24.360 -5.684) 39.165 38.481 ( -12.138 1.497 0.785) 12.255 38.481 ( 12.138 1.497 0.785) 12.255 38.565 ( -7.434 5.306 -0.115) 9.135 38.565 ( 7.434 5.306 -0.115) 9.135 38.874 ( -9.492 -1.038 3.709) 10.244 38.874 ( 9.492 -1.038 3.709) 10.244 39.419 ( -9.315 -16.111 -3.728) 18.980 39.419 ( 9.315 -16.111 -3.728) 18.980 44.792 ( -24.907 -4.160 3.091) 25.440 44.792 ( 24.907 -4.160 3.091) 25.440 45.139 ( -30.355 -10.680 -1.888) 32.235 45.139 ( 30.355 -10.680 -1.888) 32.235 59.598 ( -47.050 -27.778 -2.937) 54.716 59.598 ( 47.050 -27.778 -2.937) 54.716 60.619 ( -51.868 -49.187 0.409) 71.483 60.619 ( 51.868 -49.187 0.409) 71.483 ======================= Grid point 133 (49/96) ======================= q-point: ( 0.00 0.29 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 21.171 12.333) 24.501 2.052 ( 0.000 21.915 2.545) 22.062 2.497 ( 0.000 9.712 13.469) 16.605 3.197 ( 0.000 4.448 1.355) 4.650 3.216 ( 0.000 -0.847 -1.655) 1.859 3.661 ( 0.000 8.288 -2.219) 8.580 3.691 ( 0.000 19.483 0.151) 19.484 3.824 ( 0.000 23.298 1.264) 23.332 3.919 ( 0.000 2.967 -9.537) 9.988 4.036 ( 0.000 4.391 -9.031) 10.042 4.086 ( 0.000 -3.759 6.953) 7.904 4.313 ( 0.000 4.795 3.346) 5.847 4.448 ( 0.000 5.672 4.424) 7.194 4.576 ( 0.000 -1.993 5.521) 5.870 4.667 ( 0.000 28.241 -2.427) 28.345 4.898 ( 0.000 8.904 -1.777) 9.079 4.906 ( 0.000 22.561 3.428) 22.820 4.943 ( 0.000 8.086 4.340) 9.178 5.028 ( 0.000 13.829 -0.333) 13.833 5.139 ( 0.000 10.325 -4.220) 11.154 5.244 ( 0.000 12.134 4.600) 12.977 5.497 ( 0.000 10.131 -6.227) 11.892 5.620 ( 0.000 9.018 2.258) 9.297 5.790 ( 0.000 3.751 -4.093) 5.552 5.899 ( 0.000 3.746 -3.826) 5.355 6.127 ( 0.000 2.505 -3.590) 4.378 6.177 ( 0.000 7.494 -0.868) 7.544 6.181 ( 0.000 15.780 -6.876) 17.213 6.266 ( 0.000 4.335 -5.524) 7.022 6.312 ( 0.000 3.198 -4.693) 5.679 6.388 ( 0.000 15.640 -2.580) 15.852 6.419 ( 0.000 24.873 -1.667) 24.928 6.618 ( 0.000 -2.104 -0.260) 2.120 6.658 ( 0.000 -2.403 -4.281) 4.909 6.858 ( 0.000 14.803 0.760) 14.822 6.965 ( 0.000 14.711 -2.398) 14.906 7.202 ( 0.000 3.856 8.570) 9.398 7.397 ( 0.000 7.839 2.623) 8.266 7.651 ( 0.000 2.145 1.639) 2.699 7.791 ( 0.000 -0.602 1.921) 2.013 7.840 ( 0.000 -6.410 7.042) 9.522 8.006 ( 0.000 -5.594 1.268) 5.736 8.390 ( 0.000 -2.329 0.572) 2.398 8.420 ( 0.000 -1.652 1.540) 2.258 8.908 ( 0.000 4.110 8.668) 9.593 9.581 ( 0.000 -5.289 -7.328) 9.037 11.985 ( 0.000 -9.081 0.408) 9.090 12.044 ( 0.000 -11.294 -0.751) 11.319 15.827 ( 0.000 -1.078 -0.211) 1.098 15.855 ( 0.000 -1.408 -1.032) 1.745 15.981 ( 0.000 -1.465 1.197) 1.892 16.030 ( 0.000 -2.060 -0.162) 2.067 17.210 ( 0.000 -1.955 0.235) 1.969 17.250 ( 0.000 -2.302 -0.544) 2.365 17.436 ( 0.000 -1.999 0.349) 2.029 17.504 ( 0.000 -3.309 -1.150) 3.503 21.393 ( 0.000 8.278 0.566) 8.297 21.433 ( 0.000 9.376 -0.022) 9.376 21.434 ( 0.000 9.351 0.012) 9.351 21.521 ( 0.000 4.026 -2.626) 4.806 25.816 ( 0.000 -1.337 0.164) 1.347 25.849 ( 0.000 -1.834 -0.555) 1.916 26.464 ( 0.000 -1.032 -0.271) 1.067 26.475 ( 0.000 -1.254 -0.332) 1.297 33.393 ( 0.000 -2.001 1.377) 2.429 33.516 ( 0.000 -3.536 -1.479) 3.832 36.258 ( 0.000 -11.647 3.071) 12.045 36.369 ( 0.000 -12.699 -0.182) 12.701 38.100 ( 0.000 -0.805 3.387) 3.481 38.315 ( 0.000 1.302 -1.334) 1.864 38.744 ( 0.000 0.567 0.186) 0.597 38.914 ( 0.000 -5.773 -4.266) 7.178 39.044 ( 0.000 5.477 1.197) 5.606 39.104 ( 0.000 5.705 -0.671) 5.744 39.657 ( 0.000 -9.219 3.389) 9.822 39.815 ( 0.000 -11.746 -0.137) 11.747 43.394 ( 0.000 -0.714 0.352) 0.796 43.427 ( 0.000 -0.726 -0.401) 0.830 45.496 ( 0.000 -5.925 4.623) 7.515 45.827 ( 0.000 -12.837 -3.113) 13.209 56.955 ( 0.000 -10.458 0.986) 10.504 57.084 ( 0.000 -12.309 -2.028) 12.475 61.225 ( 0.000 -31.920 9.247) 33.233 61.835 ( 0.000 -40.888 -5.128) 41.208 ======================= Grid point 134 (50/96) ======================= q-point: ( 0.17 0.29 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 11.028 20.208 23.800) 33.112 2.488 ( 31.689 19.785 4.324) 37.607 2.848 ( 28.504 6.795 2.042) 29.374 3.185 ( -0.208 4.854 3.350) 5.901 3.354 ( 12.882 -0.308 -2.814) 13.189 3.546 ( -7.524 8.245 1.119) 11.218 3.747 ( -1.021 19.320 -0.151) 19.348 3.774 ( 3.725 12.213 -2.837) 13.080 3.975 ( 0.862 1.659 -6.054) 6.336 4.034 ( 1.289 6.439 -7.658) 10.087 4.120 ( -3.166 6.135 7.364) 10.094 4.230 ( 7.757 1.482 1.210) 7.990 4.470 ( 5.232 11.364 -0.459) 12.519 4.595 ( -4.039 16.524 -2.347) 17.171 4.755 ( 6.115 15.950 4.290) 17.613 4.816 ( -3.195 13.087 0.395) 13.477 4.924 ( 0.907 11.816 2.843) 12.187 5.041 ( 8.561 11.033 2.242) 14.144 5.059 ( -6.692 11.642 1.160) 13.478 5.143 ( 9.542 7.863 -1.128) 12.415 5.320 ( 5.692 10.417 0.013) 11.871 5.453 ( -2.953 11.922 -5.840) 13.600 5.651 ( 2.398 8.720 1.736) 9.208 5.749 ( -2.319 6.158 -3.649) 7.524 5.883 ( -3.687 8.314 -8.038) 12.138 6.061 ( -8.855 9.435 -1.161) 12.991 6.143 ( -2.787 6.571 -5.066) 8.753 6.240 ( 4.969 -0.351 -3.224) 5.933 6.251 ( 6.196 10.542 -0.640) 12.245 6.327 ( 0.616 16.678 0.064) 16.690 6.447 ( 4.347 7.468 -3.992) 9.519 6.452 ( -0.093 16.733 -1.555) 16.806 6.538 ( -1.797 2.232 1.930) 3.454 6.775 ( 4.505 1.088 -7.006) 8.400 6.868 ( 2.395 10.664 0.820) 10.960 6.971 ( -1.566 9.573 -1.829) 9.872 7.216 ( 1.228 3.150 5.195) 6.198 7.354 ( -2.724 7.990 2.296) 8.749 7.647 ( -1.091 3.742 2.628) 4.701 7.779 ( -2.642 -1.481 3.778) 4.842 7.835 ( 4.968 -3.348 6.396) 8.763 8.067 ( 5.228 -6.015 -0.840) 8.013 8.376 ( -1.517 -1.338 0.863) 2.199 8.439 ( 3.426 -2.387 0.923) 4.276 8.915 ( 0.977 4.631 7.246) 8.655 9.485 ( -8.092 -2.249 -6.543) 10.646 11.523 ( -42.429 -8.509 2.668) 43.356 11.732 ( -32.981 -11.711 -2.222) 35.069 15.876 ( 4.522 -1.411 -0.047) 4.737 15.952 ( 6.554 -2.570 -2.361) 7.426 16.051 ( 6.088 -3.026 1.692) 7.006 16.075 ( 4.580 -3.114 0.469) 5.558 17.312 ( 9.317 -2.210 0.059) 9.576 17.344 ( 9.249 -2.624 -0.573) 9.631 17.473 ( 4.847 -2.024 1.496) 5.462 17.633 ( 10.137 -6.149 -2.292) 12.076 21.396 ( 0.268 8.355 0.480) 8.373 21.427 ( -0.416 9.223 0.064) 9.233 21.434 ( -0.205 9.334 -0.092) 9.336 21.503 ( -1.711 4.844 -2.149) 5.569 25.855 ( 3.865 -1.101 0.112) 4.020 25.889 ( 4.067 -1.723 -0.662) 4.466 26.418 ( -4.726 -0.895 -0.044) 4.810 26.431 ( -4.211 -1.238 -0.343) 4.402 33.730 ( 29.351 -6.109 0.633) 29.987 33.832 ( 33.306 -7.960 -1.956) 34.300 36.209 ( -5.746 -12.710 2.144) 14.112 36.264 ( -11.270 -12.871 0.228) 17.109 38.117 ( 2.209 -1.507 3.594) 4.480 38.345 ( 3.166 0.679 -1.424) 3.538 38.742 ( 0.240 1.572 0.136) 1.596 38.911 ( -0.795 -3.588 -4.665) 5.939 39.011 ( -3.322 4.221 0.876) 5.442 39.057 ( -4.500 4.564 -0.036) 6.410 39.464 ( -17.457 -8.625 3.925) 19.863 39.660 ( -14.004 -12.053 -0.793) 18.494 43.629 ( 22.385 -1.326 0.866) 22.441 43.702 ( 25.470 -2.334 -0.768) 25.589 45.409 ( -8.963 -5.673 4.393) 11.481 45.727 ( -10.320 -12.351 -3.008) 16.374 57.263 ( 30.032 -13.957 1.165) 33.138 57.441 ( 36.038 -15.980 -3.112) 39.544 60.960 ( -26.611 -31.504 9.044) 42.219 61.560 ( -27.734 -40.688 -5.112) 49.506 ======================= Grid point 135 (51/96) ======================= q-point: ( 0.33 0.29 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 13.559 16.384 24.531) 32.467 2.895 ( 7.664 11.945 5.968) 15.396 3.145 ( 3.368 7.678 1.251) 8.477 3.181 ( -3.283 8.938 7.577) 12.169 3.350 ( -8.085 6.640 0.321) 10.467 3.434 ( -8.129 4.182 2.031) 9.365 3.811 ( 4.939 7.874 -1.684) 9.447 3.880 ( 0.136 7.943 -0.953) 8.001 4.081 ( 21.580 4.556 1.799) 22.128 4.092 ( 4.390 11.856 -10.306) 16.311 4.291 ( 0.992 8.899 -6.076) 10.821 4.438 ( 10.182 17.801 -2.810) 20.699 4.588 ( 7.897 9.132 -0.235) 12.075 4.674 ( 15.777 10.760 -4.547) 19.631 4.761 ( 0.309 20.781 0.817) 20.799 4.835 ( 0.635 15.302 4.505) 15.964 4.880 ( -9.910 4.159 0.828) 10.779 4.923 ( -0.813 19.291 6.385) 20.336 5.225 ( 9.107 3.452 -0.828) 9.775 5.367 ( 3.025 12.646 -6.030) 14.333 5.460 ( 22.550 1.947 -2.000) 22.723 5.517 ( 8.390 13.688 -0.840) 16.076 5.678 ( -3.791 6.918 -5.275) 9.489 5.698 ( 0.428 10.648 -5.103) 11.815 5.791 ( -3.980 8.925 -2.728) 10.146 5.906 ( -5.288 7.877 5.626) 11.030 6.060 ( -6.913 4.540 -3.800) 9.101 6.243 ( 0.027 12.948 -1.232) 13.007 6.309 ( -1.574 22.578 1.012) 22.655 6.407 ( -2.575 9.440 -2.117) 10.011 6.427 ( -1.318 8.147 -1.796) 8.446 6.501 ( 0.814 0.428 -2.987) 3.125 6.603 ( 3.573 8.928 -0.654) 9.639 6.827 ( -4.988 9.497 1.895) 10.893 6.837 ( 1.158 2.509 -0.976) 2.930 7.028 ( 8.357 2.172 -3.584) 9.349 7.187 ( 3.867 2.206 6.308) 7.721 7.375 ( 3.253 6.535 0.913) 7.356 7.575 ( -6.017 8.273 4.318) 11.104 7.699 ( -4.562 -4.972 2.861) 7.329 8.068 ( 8.225 -2.826 1.332) 8.798 8.231 ( 11.404 -3.097 -1.564) 11.920 8.355 ( 7.851 -2.786 5.269) 9.857 8.654 ( 19.190 -1.788 -4.857) 19.875 8.960 ( 4.404 4.840 5.442) 8.511 9.359 ( -1.776 -0.048 -5.894) 6.156 10.479 ( -60.073 -7.721 6.396) 60.904 10.858 ( -52.853 -12.701 -3.150) 54.449 15.963 ( 3.758 -1.935 -0.506) 4.257 16.023 ( 1.066 -2.478 -2.221) 3.494 16.171 ( 4.870 -5.265 1.392) 7.306 16.177 ( 4.559 -5.268 1.239) 7.076 17.504 ( 8.928 -2.526 0.533) 9.294 17.563 ( 8.958 -3.973 -0.301) 9.804 17.605 ( 9.393 -3.536 1.196) 10.107 17.802 ( 5.095 -8.634 -2.845) 10.421 21.403 ( 0.461 8.571 0.266) 8.588 21.421 ( -0.210 8.920 0.033) 8.922 21.427 ( -0.322 9.080 -0.141) 9.087 21.464 ( -2.014 6.563 -1.177) 6.965 25.961 ( 6.788 -0.609 -0.107) 6.816 25.999 ( 6.829 -1.420 -1.039) 7.052 26.292 ( -7.592 -0.651 0.546) 7.639 26.320 ( -6.951 -1.343 -0.198) 7.082 34.430 ( 41.076 -9.606 1.679) 42.218 34.664 ( 46.052 -17.652 -4.121) 49.491 35.900 ( -26.557 -13.133 1.308) 29.656 35.991 ( -17.886 -15.876 -0.426) 23.919 38.217 ( 8.856 -2.550 3.557) 9.878 38.445 ( 7.237 -0.207 -1.583) 7.411 38.759 ( -0.830 3.041 -1.056) 3.324 38.814 ( -10.136 2.584 -1.574) 10.578 38.887 ( -8.310 3.874 1.973) 9.378 39.008 ( -0.616 -3.618 -1.901) 4.133 39.122 ( -11.997 -6.733 4.113) 14.359 39.364 ( -14.231 -11.840 -2.007) 18.621 44.161 ( 29.632 -2.713 1.740) 29.807 44.303 ( 33.448 -5.391 -1.503) 33.913 45.147 ( -17.824 -5.036 3.808) 18.909 45.425 ( -20.501 -10.939 -2.652) 23.388 58.061 ( 49.783 -19.033 2.064) 53.337 58.396 ( 57.982 -25.873 -6.483) 63.822 60.230 ( -46.310 -30.094 9.052) 55.966 60.791 ( -49.707 -39.795 -4.687) 63.846 ======================= Grid point 136 (52/96) ======================= q-point: (-0.50 0.29 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -16.608 11.276 19.136) 27.734 2.748 ( 16.608 11.276 19.136) 27.734 3.183 ( -5.241 13.549 2.799) 14.795 3.183 ( 5.241 13.549 2.799) 14.795 3.283 ( -5.728 2.470 -0.085) 6.238 3.283 ( 5.728 2.470 -0.085) 6.238 3.863 ( -1.524 4.334 -2.990) 5.482 3.863 ( 1.524 4.334 -2.990) 5.482 4.185 ( -5.846 14.304 -7.536) 17.192 4.185 ( 5.846 14.304 -7.536) 17.192 4.536 ( -16.871 7.978 2.240) 18.796 4.536 ( 16.871 7.978 2.240) 18.796 4.613 ( -3.335 14.190 -1.158) 14.623 4.613 ( 3.335 14.190 -1.158) 14.623 4.810 ( -3.979 11.838 -0.576) 12.502 4.810 ( 3.979 11.838 -0.576) 12.502 4.888 ( -3.541 17.887 3.180) 18.509 4.888 ( 3.541 17.887 3.180) 18.509 5.440 ( -6.810 11.958 -7.465) 15.656 5.440 ( 6.810 11.958 -7.465) 15.656 5.572 ( -9.009 6.732 -5.880) 12.691 5.572 ( 9.009 6.732 -5.880) 12.691 5.766 ( -6.069 10.836 1.366) 12.495 5.766 ( 6.069 10.836 1.366) 12.495 5.836 ( -8.302 4.620 -0.489) 9.514 5.836 ( 8.302 4.620 -0.489) 9.514 6.112 ( -25.509 1.694 1.710) 25.623 6.112 ( 25.509 1.694 1.710) 25.623 6.281 ( -1.670 13.663 -1.440) 13.840 6.281 ( 1.670 13.663 -1.440) 13.840 6.403 ( -0.592 13.298 -1.759) 13.427 6.403 ( 0.592 13.298 -1.759) 13.427 6.699 ( -5.532 6.984 1.376) 9.015 6.699 ( 5.532 6.984 1.376) 9.015 6.959 ( -6.807 7.419 -0.033) 10.068 6.959 ( 6.807 7.419 -0.033) 10.068 7.454 ( -4.709 9.984 1.955) 11.210 7.454 ( 4.709 9.984 1.955) 11.210 7.530 ( -14.685 -6.755 1.022) 16.196 7.530 ( 14.685 -6.755 1.022) 16.196 8.182 ( -6.001 -2.504 2.613) 7.008 8.182 ( 6.001 -2.504 2.613) 7.008 8.826 ( -11.951 -0.072 -2.948) 12.310 8.826 ( 11.951 -0.072 -2.948) 12.310 9.254 ( -32.525 1.616 1.089) 32.583 9.254 ( 32.525 1.616 1.089) 32.583 9.876 ( -36.088 -12.948 1.271) 38.361 9.876 ( 36.088 -12.948 1.271) 38.361 16.015 ( -1.610 -2.330 -1.333) 3.130 16.015 ( 1.610 -2.330 -1.333) 3.130 16.221 ( -0.214 -5.897 1.327) 6.049 16.221 ( 0.214 -5.897 1.327) 6.049 17.617 ( -1.950 -3.111 1.337) 3.907 17.617 ( 1.950 -3.111 1.337) 3.907 17.791 ( -6.177 -7.300 -2.015) 9.772 17.791 ( 6.177 -7.300 -2.015) 9.772 21.413 ( -0.542 8.846 0.057) 8.863 21.413 ( 0.542 8.846 0.057) 8.863 21.433 ( -1.000 8.047 -0.415) 8.120 21.433 ( 1.000 8.047 -0.415) 8.120 26.093 ( -3.554 -0.270 -1.713) 3.954 26.093 ( 3.554 -0.270 -1.713) 3.954 26.189 ( -3.303 -1.522 1.354) 3.881 26.189 ( 3.303 -1.522 1.354) 3.881 35.239 ( -38.791 -12.267 1.830) 40.725 35.239 ( 38.791 -12.267 1.830) 40.725 35.479 ( -34.109 -19.381 -3.080) 39.351 35.479 ( 34.109 -19.381 -3.080) 39.351 38.469 ( -15.621 -2.277 1.580) 15.865 38.469 ( 15.621 -2.277 1.580) 15.865 38.642 ( -9.915 1.496 -0.354) 10.033 38.642 ( 9.915 1.496 -0.354) 10.033 38.895 ( -6.146 2.761 1.535) 6.910 38.895 ( 6.146 2.761 1.535) 6.910 39.146 ( -7.957 -9.884 -1.981) 12.843 39.146 ( 7.957 -9.884 -1.981) 12.843 44.710 ( -24.544 -3.739 2.239) 24.928 44.710 ( 24.544 -3.739 2.239) 24.928 44.938 ( -28.172 -8.803 -1.586) 29.558 44.938 ( 28.172 -8.803 -1.586) 29.558 59.067 ( -41.482 -23.218 -2.371) 47.597 59.067 ( 41.482 -23.218 -2.371) 47.597 59.735 ( -47.216 -37.228 1.873) 60.156 59.735 ( 47.216 -37.228 1.873) 60.156 ======================= Grid point 140 (53/96) ======================= q-point: ( 0.00 0.36 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 0.000 15.581 0.128) 15.582 2.453 ( 0.000 16.502 0.223) 16.504 2.732 ( 0.000 14.341 16.398) 21.784 3.202 ( 0.000 0.155 -0.316) 0.352 3.311 ( 0.000 6.573 -0.700) 6.610 3.765 ( 0.000 1.993 -1.087) 2.271 3.820 ( 0.000 -6.736 -3.349) 7.523 3.911 ( 0.000 -3.598 4.777) 5.980 3.982 ( 0.000 5.779 0.347) 5.789 4.148 ( 0.000 4.321 -12.520) 13.245 4.301 ( 0.000 13.406 0.875) 13.435 4.377 ( 0.000 2.201 0.731) 2.319 4.441 ( 0.000 -3.086 2.744) 4.129 4.530 ( 0.000 -2.098 6.141) 6.490 4.990 ( 0.000 1.424 -0.379) 1.473 5.103 ( 0.000 9.245 6.942) 11.562 5.158 ( 0.000 9.747 -5.052) 10.979 5.201 ( 0.000 18.482 -0.021) 18.482 5.360 ( 0.000 9.833 2.873) 10.244 5.365 ( 0.000 13.796 4.691) 14.572 5.544 ( 0.000 14.378 5.310) 15.328 5.671 ( 0.000 -5.670 -0.901) 5.741 5.740 ( 0.000 2.636 2.434) 3.588 5.873 ( 0.000 16.194 -6.324) 17.385 5.942 ( 0.000 2.677 -9.456) 9.828 6.119 ( 0.000 -1.734 -1.807) 2.504 6.277 ( 0.000 3.375 -4.727) 5.808 6.293 ( 0.000 6.180 -0.591) 6.208 6.417 ( 0.000 6.562 -1.614) 6.757 6.517 ( 0.000 9.932 -6.232) 11.725 6.561 ( 0.000 -3.429 -1.044) 3.584 6.580 ( 0.000 -1.238 -1.412) 1.878 6.761 ( 0.000 17.133 1.290) 17.181 6.897 ( 0.000 14.108 -1.073) 14.149 7.158 ( 0.000 13.659 1.663) 13.760 7.236 ( 0.000 8.394 3.317) 9.026 7.354 ( 0.000 13.899 -1.723) 14.006 7.576 ( 0.000 7.479 -7.037) 10.270 7.710 ( 0.000 -2.069 4.817) 5.242 7.829 ( 0.000 -0.290 2.238) 2.257 7.839 ( 0.000 11.591 2.629) 11.885 7.948 ( 0.000 4.564 2.536) 5.221 8.318 ( 0.000 -2.938 1.446) 3.274 8.353 ( 0.000 -4.526 1.178) 4.676 8.935 ( 0.000 -1.604 6.205) 6.409 9.426 ( 0.000 -9.922 -5.537) 11.362 11.819 ( 0.000 -6.946 0.147) 6.948 11.840 ( 0.000 -8.335 -0.313) 8.341 15.809 ( 0.000 -0.602 -0.080) 0.607 15.830 ( 0.000 -0.996 -0.638) 1.182 15.954 ( 0.000 -1.080 0.768) 1.326 15.990 ( 0.000 -1.809 -0.152) 1.815 17.178 ( 0.000 -1.145 0.195) 1.162 17.209 ( 0.000 -1.696 -0.442) 1.753 17.401 ( 0.000 -1.362 0.263) 1.387 17.445 ( 0.000 -2.446 -0.731) 2.553 21.539 ( 0.000 5.890 0.202) 5.893 21.595 ( 0.000 3.379 -1.142) 3.567 21.609 ( 0.000 7.428 -0.005) 7.428 21.609 ( 0.000 7.286 -0.022) 7.286 25.794 ( 0.000 -0.828 0.122) 0.837 25.816 ( 0.000 -1.357 -0.366) 1.406 26.447 ( 0.000 -0.652 -0.134) 0.665 26.454 ( 0.000 -0.777 -0.240) 0.814 33.359 ( 0.000 -1.283 0.962) 1.604 33.446 ( 0.000 -3.213 -1.036) 3.376 36.054 ( 0.000 -8.126 1.667) 8.295 36.137 ( 0.000 -9.740 -0.406) 9.749 38.086 ( 0.000 -0.377 2.651) 2.678 38.299 ( 0.000 -2.794 -2.024) 3.450 38.762 ( 0.000 0.996 -0.127) 1.004 38.813 ( 0.000 -2.947 -1.503) 3.308 39.169 ( 0.000 5.559 0.671) 5.599 39.212 ( 0.000 4.598 -0.406) 4.616 39.486 ( 0.000 -7.138 1.984) 7.409 39.594 ( 0.000 -9.548 -0.453) 9.559 43.383 ( 0.000 -0.347 0.322) 0.473 43.412 ( 0.000 -0.756 -0.338) 0.828 45.395 ( 0.000 -3.841 2.580) 4.627 45.596 ( 0.000 -9.611 -2.000) 9.817 56.763 ( 0.000 -7.979 0.772) 8.016 56.851 ( 0.000 -10.036 -1.267) 10.115 60.675 ( 0.000 -21.264 5.601) 21.989 61.092 ( 0.000 -31.100 -3.931) 31.348 ======================= Grid point 141 (54/96) ======================= q-point: ( 0.17 0.36 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 9.108 20.998 12.652) 26.152 2.877 ( 27.072 17.744 2.763) 32.487 2.984 ( 26.512 6.353 4.907) 27.701 3.278 ( 2.675 2.683 -0.787) 3.870 3.335 ( 11.621 1.087 -0.264) 11.675 3.650 ( -8.122 1.426 0.739) 8.280 3.852 ( 0.250 -2.909 -4.491) 5.357 3.891 ( 3.847 -2.090 1.359) 4.584 4.038 ( -0.253 6.849 -3.141) 7.540 4.149 ( -7.220 0.426 4.330) 8.430 4.202 ( 4.808 3.894 -11.239) 12.829 4.325 ( 6.598 4.725 3.986) 9.042 4.570 ( 9.170 2.683 -0.897) 9.597 4.722 ( 9.508 -0.156 3.430) 10.109 4.997 ( 1.202 7.834 -2.841) 8.419 5.084 ( -1.047 5.831 5.966) 8.408 5.171 ( 1.014 16.006 -1.794) 16.138 5.236 ( 2.319 9.999 2.134) 10.484 5.315 ( -1.838 10.401 5.777) 12.039 5.402 ( 1.870 12.737 3.977) 13.474 5.544 ( 0.001 10.505 2.610) 10.825 5.691 ( 3.433 1.084 -2.514) 4.391 5.801 ( 0.805 10.959 -1.500) 11.091 5.850 ( 1.684 6.069 -2.580) 6.806 5.943 ( -0.805 0.343 -9.334) 9.375 6.116 ( 0.745 -1.133 -0.227) 1.375 6.228 ( -2.563 5.043 -6.495) 8.613 6.324 ( -4.031 10.059 -3.578) 11.412 6.391 ( 5.930 5.721 0.458) 8.253 6.515 ( -1.013 1.798 -0.447) 2.111 6.534 ( -1.554 0.925 1.787) 2.543 6.718 ( 7.679 -0.878 -7.217) 10.574 6.753 ( 1.476 16.299 2.215) 16.515 6.876 ( -2.356 11.137 -0.802) 11.412 7.145 ( -1.993 12.631 2.810) 13.092 7.178 ( -4.814 10.977 2.353) 12.215 7.362 ( -0.767 11.001 -2.416) 11.289 7.552 ( -0.287 8.802 -5.360) 10.310 7.741 ( 1.557 0.935 5.087) 5.402 7.841 ( 3.334 8.866 2.450) 9.784 7.891 ( 2.524 9.858 3.285) 10.694 7.956 ( 3.157 -2.894 -0.056) 4.283 8.317 ( -1.627 -3.941 0.876) 4.352 8.365 ( 3.849 -3.560 0.794) 5.303 8.947 ( 1.265 -1.608 5.516) 5.883 9.377 ( -4.355 -8.222 -4.893) 10.513 11.374 ( -40.955 -5.795 1.677) 41.396 11.514 ( -34.174 -9.237 -1.521) 35.433 15.854 ( 4.044 -0.736 0.044) 4.111 15.906 ( 5.795 -1.902 -1.432) 6.265 15.997 ( 3.574 -2.205 1.037) 4.325 16.017 ( 2.674 -2.502 0.274) 3.673 17.276 ( 9.018 -1.290 0.016) 9.110 17.299 ( 8.603 -1.722 -0.467) 8.786 17.440 ( 4.416 -1.167 0.902) 4.656 17.531 ( 7.140 -3.965 -1.223) 8.258 21.544 ( 0.458 5.985 0.155) 6.004 21.590 ( -0.442 3.871 -0.952) 4.011 21.600 ( -0.678 7.227 0.059) 7.259 21.607 ( -0.391 7.268 -0.103) 7.280 25.836 ( 4.239 -0.676 0.087) 4.294 25.859 ( 4.281 -1.257 -0.413) 4.481 26.403 ( -4.471 -0.570 -0.050) 4.508 26.411 ( -4.292 -0.793 -0.213) 4.369 33.627 ( 25.488 -3.794 0.635) 25.777 33.699 ( 25.662 -5.254 -1.042) 26.215 35.985 ( -7.800 -9.002 1.122) 11.964 36.031 ( -11.412 -9.716 -0.104) 14.988 38.089 ( 1.047 -0.951 2.734) 3.078 38.311 ( 1.529 -3.811 -2.143) 4.632 38.778 ( 1.841 1.744 -0.170) 2.541 38.832 ( 1.872 -2.128 -1.738) 3.325 39.122 ( -5.141 4.927 0.757) 7.161 39.154 ( -6.866 3.964 0.015) 7.928 39.310 ( -15.136 -5.992 2.152) 16.420 39.440 ( -13.591 -9.150 -0.822) 16.405 43.607 ( 21.266 -0.775 0.602) 21.289 43.658 ( 23.055 -1.897 -0.547) 23.139 45.312 ( -8.556 -3.689 2.466) 9.638 45.504 ( -9.398 -9.221 -1.921) 13.306 57.021 ( 26.000 -9.501 1.112) 27.704 57.150 ( 29.766 -12.254 -1.862) 32.244 60.419 ( -25.729 -20.910 5.467) 33.602 60.825 ( -26.851 -30.584 -3.834) 40.878 ======================= Grid point 142 (55/96) ======================= q-point: ( 0.33 0.36 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 8.738 17.599 15.596) 25.086 3.102 ( 1.384 8.544 5.057) 10.024 3.281 ( 2.237 5.695 -1.161) 6.227 3.321 ( 0.546 5.002 6.320) 8.078 3.472 ( -4.819 4.595 0.120) 6.660 3.527 ( -5.962 4.507 2.158) 7.779 3.867 ( 2.302 -0.501 -1.368) 2.724 3.940 ( -2.772 -0.009 1.318) 3.070 4.171 ( 14.060 2.559 -6.021) 15.507 4.245 ( 15.344 3.356 -7.746) 17.513 4.401 ( 4.023 4.986 -3.327) 7.220 4.524 ( 11.589 -3.028 -1.079) 12.026 4.814 ( 8.244 8.418 1.273) 11.851 4.918 ( 23.214 10.091 -1.231) 25.343 5.014 ( -3.401 10.721 4.050) 11.955 5.069 ( 2.256 8.403 -1.734) 8.872 5.215 ( -0.103 14.952 4.701) 15.674 5.240 ( 2.021 8.668 3.055) 9.410 5.346 ( -0.149 9.419 8.537) 12.713 5.479 ( 15.441 5.283 2.652) 16.533 5.581 ( 4.336 6.484 -5.656) 9.636 5.742 ( -1.017 2.555 -4.203) 5.023 5.807 ( -1.803 7.853 -6.912) 10.616 5.858 ( 3.069 8.743 -4.431) 10.271 5.962 ( 2.135 5.808 1.841) 6.456 6.059 ( -6.715 7.421 0.673) 10.031 6.184 ( -2.159 3.415 -6.353) 7.529 6.308 ( -0.415 5.047 -5.082) 7.174 6.448 ( -6.388 -1.183 1.216) 6.609 6.479 ( -3.367 2.567 -4.792) 6.394 6.566 ( 5.040 2.254 3.458) 6.514 6.745 ( -2.641 11.307 0.250) 11.614 6.842 ( 6.287 7.196 4.540) 10.579 6.910 ( 8.968 3.190 -5.262) 10.876 7.027 ( -5.259 14.257 2.703) 15.435 7.173 ( 2.891 12.643 1.632) 13.071 7.310 ( -2.757 8.022 0.702) 8.511 7.563 ( -1.853 4.064 -2.349) 5.046 7.724 ( -0.326 13.366 3.685) 13.868 7.847 ( -1.223 15.623 1.339) 15.728 8.002 ( 2.932 -3.369 1.147) 4.611 8.163 ( 11.826 -2.728 -1.978) 12.297 8.284 ( 8.481 -3.423 5.065) 10.455 8.592 ( 20.468 -3.489 -5.028) 21.364 8.990 ( 3.643 -1.938 5.004) 6.486 9.302 ( -1.529 -5.733 -3.584) 6.932 10.356 ( -59.198 -4.209 3.760) 59.466 10.619 ( -53.843 -10.444 -2.428) 54.900 15.931 ( 3.295 -1.078 -0.330) 3.483 15.979 ( 1.234 -1.749 -1.829) 2.816 16.072 ( 3.569 -4.323 1.374) 5.772 16.080 ( 2.922 -4.169 0.806) 5.154 17.463 ( 8.584 -1.423 0.098) 8.702 17.498 ( 9.498 -2.386 -0.988) 9.843 17.550 ( 6.099 -1.907 1.472) 6.558 17.661 ( 4.656 -5.303 -1.408) 7.196 21.556 ( 0.793 6.254 0.039) 6.304 21.581 ( -0.370 4.968 -0.546) 5.012 21.585 ( -0.705 6.915 0.060) 6.951 21.595 ( -0.807 6.970 -0.149) 7.018 25.952 ( 7.263 -0.328 -0.055) 7.270 25.974 ( 7.239 -0.998 -0.594) 7.332 26.281 ( -7.557 -0.420 0.255) 7.573 26.296 ( -7.157 -0.940 -0.123) 7.219 34.262 ( 37.871 -6.632 0.959) 38.459 34.377 ( 40.340 -10.737 -1.745) 41.780 35.665 ( -26.365 -9.541 0.640) 28.046 35.710 ( -21.261 -11.303 -0.289) 24.081 38.168 ( 8.005 -1.942 2.628) 8.646 38.384 ( 6.634 -5.199 -2.269) 8.728 38.795 ( -12.802 -0.376 -0.632) 12.823 38.842 ( -1.856 1.376 -1.214) 2.610 38.915 ( -7.777 -1.428 1.431) 8.036 38.953 ( -5.223 -1.720 1.341) 5.660 39.096 ( -7.218 2.449 0.741) 7.658 39.191 ( -9.853 -4.181 -1.181) 10.768 44.115 ( 28.419 -1.736 1.102) 28.493 44.205 ( 30.572 -4.087 -0.944) 30.859 45.061 ( -17.167 -3.276 2.154) 17.609 45.229 ( -18.747 -8.100 -1.682) 20.491 57.733 ( 45.305 -12.606 1.770) 47.059 57.951 ( 50.090 -17.829 -3.399) 53.276 59.715 ( -44.690 -19.771 5.294) 49.153 60.086 ( -47.340 -28.816 -3.358) 55.522 ======================= Grid point 143 (56/96) ======================= q-point: (-0.50 0.36 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -10.563 12.212 12.937) 20.690 2.993 ( 10.563 12.212 12.937) 20.690 3.311 ( -0.275 3.223 1.473) 3.554 3.311 ( 0.275 3.223 1.473) 3.554 3.420 ( -2.251 6.739 0.474) 7.121 3.420 ( 2.251 6.739 0.474) 7.121 3.897 ( -1.566 -0.379 -1.530) 2.222 3.897 ( 1.566 -0.379 -1.530) 2.222 4.325 ( -6.174 2.305 -8.672) 10.892 4.325 ( 6.174 2.305 -8.672) 10.892 4.593 ( -9.311 -0.700 0.855) 9.376 4.593 ( 9.311 -0.700 0.855) 9.376 4.889 ( -5.361 14.046 4.328) 15.645 4.889 ( 5.361 14.046 4.328) 15.645 5.100 ( -2.986 12.866 -1.945) 13.351 5.100 ( 2.986 12.866 -1.945) 13.350 5.278 ( -2.948 15.831 7.606) 17.809 5.278 ( 2.948 15.831 7.606) 17.809 5.521 ( -15.967 -0.701 -3.217) 16.303 5.521 ( 15.967 -0.701 -3.217) 16.303 5.729 ( -4.521 7.785 -7.549) 11.749 5.729 ( 4.521 7.785 -7.549) 11.749 5.944 ( -7.021 4.390 -2.799) 8.741 5.944 ( 7.021 4.390 -2.799) 8.741 5.970 ( -8.340 6.806 0.001) 10.765 5.970 ( 8.340 6.806 0.001) 10.765 6.162 ( -12.172 5.286 1.901) 13.406 6.162 ( 12.172 5.286 1.901) 13.406 6.340 ( -3.447 0.158 -4.265) 5.486 6.340 ( 3.447 0.158 -4.265) 5.486 6.660 ( -4.388 5.863 2.339) 7.688 6.660 ( 4.388 5.863 2.339) 7.688 6.939 ( -2.595 15.197 0.656) 15.431 6.939 ( 2.595 15.197 0.656) 15.431 7.153 ( -7.384 8.729 -3.138) 11.857 7.153 ( 7.384 8.729 -3.138) 11.857 7.416 ( -11.684 -1.005 4.724) 12.643 7.416 ( 11.684 -1.005 4.724) 12.643 7.791 ( -4.805 19.709 -0.778) 20.301 7.791 ( 4.805 19.709 -0.778) 20.301 8.090 ( -6.623 -6.306 2.855) 9.580 8.090 ( 6.623 -6.306 2.855) 9.580 8.781 ( -17.065 -3.355 -3.257) 17.694 8.781 ( 17.065 -3.355 -3.257) 17.694 9.282 ( -30.502 0.437 2.288) 30.591 9.282 ( 30.502 0.437 2.288) 30.591 9.626 ( -35.678 -11.207 -0.169) 37.398 9.626 ( 35.678 -11.207 -0.169) 37.398 15.976 ( -1.270 -1.462 -1.033) 2.195 15.976 ( 1.270 -1.462 -1.033) 2.195 16.110 ( -0.143 -4.908 1.070) 5.025 16.110 ( 0.143 -4.908 1.070) 5.025 17.569 ( -1.551 -1.620 0.344) 2.269 17.569 ( 1.551 -1.620 0.344) 2.269 17.671 ( -3.911 -4.530 -0.756) 6.032 17.671 ( 3.911 -4.530 -0.756) 6.032 21.572 ( -0.735 6.519 -0.057) 6.560 21.572 ( 0.735 6.519 -0.057) 6.560 21.581 ( -0.403 6.228 -0.182) 6.243 21.581 ( 0.403 6.228 -0.182) 6.243 26.091 ( -2.840 0.142 -1.342) 3.144 26.091 ( 2.840 0.142 -1.342) 3.144 26.159 ( -2.646 -1.337 1.103) 3.163 26.159 ( 2.646 -1.337 1.103) 3.163 35.023 ( -37.206 -8.620 1.032) 38.205 35.023 ( 37.206 -8.620 1.032) 38.205 35.147 ( -35.128 -13.012 -1.489) 37.490 35.147 ( 35.128 -13.012 -1.489) 37.490 38.413 ( -16.078 -2.538 1.376) 16.335 38.413 ( 16.078 -2.538 1.376) 16.335 38.603 ( -12.847 -4.959 -0.829) 13.795 38.603 ( 12.847 -4.959 -0.829) 13.795 38.964 ( -6.018 3.446 0.550) 6.956 38.964 ( 6.018 3.446 0.550) 6.956 39.036 ( -6.562 -1.356 -0.641) 6.731 39.036 ( 6.562 -1.356 -0.641) 6.731 44.645 ( -24.114 -2.505 1.438) 24.287 44.645 ( 24.114 -2.505 1.438) 24.287 44.781 ( -26.181 -6.426 -1.122) 26.982 44.781 ( 26.181 -6.426 -1.122) 26.982 58.672 ( -38.905 -14.981 -1.271) 41.709 58.672 ( 38.904 -14.981 -1.271) 41.709 59.089 ( -42.925 -25.979 1.283) 50.190 59.089 ( 42.925 -25.979 1.283) 50.191 ======================= Grid point 147 (57/96) ======================= q-point: ( 0.00 0.43 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.000 6.394 -0.143) 6.396 2.695 ( 0.000 6.594 -0.951) 6.662 3.081 ( 0.000 17.730 6.983) 19.056 3.256 ( 0.000 5.681 0.986) 5.766 3.457 ( 0.000 6.565 -2.671) 7.088 3.638 ( 0.000 -10.090 -2.239) 10.336 3.693 ( 0.000 -5.066 4.324) 6.661 3.943 ( 0.000 4.378 1.466) 4.617 4.043 ( 0.000 -2.831 -0.883) 2.965 4.063 ( 0.000 -7.890 -7.541) 10.914 4.420 ( 0.000 1.240 6.339) 6.459 4.460 ( 0.000 4.360 0.755) 4.425 4.469 ( 0.000 3.941 0.707) 4.004 4.492 ( 0.000 -1.433 6.007) 6.176 5.036 ( 0.000 3.664 0.034) 3.664 5.242 ( 0.000 1.417 -5.283) 5.470 5.245 ( 0.000 4.448 4.385) 6.246 5.380 ( 0.000 -6.811 0.634) 6.841 5.575 ( 0.000 6.619 4.205) 7.841 5.578 ( 0.000 12.268 1.248) 12.332 5.617 ( 0.000 3.938 2.039) 4.434 5.732 ( 0.000 4.134 2.899) 5.049 5.781 ( 0.000 2.803 0.726) 2.896 5.980 ( 0.000 -4.451 -4.139) 6.078 6.065 ( 0.000 7.639 -9.167) 11.933 6.137 ( 0.000 1.833 -5.249) 5.560 6.399 ( 0.000 3.521 1.878) 3.991 6.462 ( 0.000 5.630 1.386) 5.798 6.516 ( 0.000 9.537 0.771) 9.568 6.539 ( 0.000 1.933 -4.302) 4.716 6.548 ( 0.000 -0.805 -1.584) 1.777 6.699 ( 0.000 6.354 -5.279) 8.261 6.992 ( 0.000 4.916 3.295) 5.919 6.995 ( 0.000 -0.744 1.364) 1.554 7.393 ( 0.000 8.648 2.795) 9.088 7.404 ( 0.000 7.168 2.830) 7.706 7.652 ( 0.000 12.669 -2.908) 12.998 7.677 ( 0.000 -0.144 4.390) 4.392 7.710 ( 0.000 4.313 -4.708) 6.385 7.776 ( 0.000 0.053 -1.323) 1.324 8.004 ( 0.000 -4.187 -1.601) 4.483 8.059 ( 0.000 1.490 -4.088) 4.351 8.320 ( 0.000 7.224 3.774) 8.150 8.433 ( 0.000 14.751 1.161) 14.797 8.843 ( 0.000 -6.976 5.414) 8.830 9.176 ( 0.000 -14.443 -3.089) 14.770 11.707 ( 0.000 -3.838 -0.011) 3.838 11.710 ( 0.000 -4.265 -0.087) 4.266 15.802 ( 0.000 -0.105 0.082) 0.133 15.814 ( 0.000 -0.613 -0.178) 0.638 15.939 ( 0.000 -0.386 0.266) 0.469 15.958 ( 0.000 -1.267 -0.176) 1.279 17.164 ( 0.000 -0.303 0.138) 0.332 17.180 ( 0.000 -1.065 -0.231) 1.089 17.382 ( 0.000 -0.467 0.085) 0.474 17.404 ( 0.000 -1.533 -0.415) 1.588 21.631 ( 0.000 3.040 -0.032) 3.040 21.648 ( 0.000 1.816 -0.443) 1.869 21.729 ( 0.000 4.105 -0.020) 4.105 21.729 ( 0.000 4.098 -0.029) 4.099 25.783 ( 0.000 -0.277 0.084) 0.289 25.794 ( 0.000 -0.810 -0.162) 0.826 26.438 ( 0.000 -0.241 -0.085) 0.255 26.442 ( 0.000 -0.429 -0.168) 0.461 33.343 ( 0.000 -0.183 0.493) 0.526 33.388 ( 0.000 -2.344 -0.534) 2.404 35.932 ( 0.000 -3.683 0.804) 3.770 35.977 ( 0.000 -5.748 -0.249) 5.753 38.093 ( 0.000 1.184 1.423) 1.851 38.219 ( 0.000 -4.431 -1.406) 4.648 38.779 ( 0.000 0.639 -0.180) 0.664 38.786 ( 0.000 -0.242 -0.353) 0.428 39.260 ( 0.000 3.293 0.428) 3.320 39.287 ( 0.000 2.684 -0.224) 2.694 39.374 ( 0.000 -3.692 0.971) 3.817 39.434 ( 0.000 -5.888 -0.421) 5.903 43.380 ( 0.000 0.079 0.195) 0.211 43.397 ( 0.000 -0.672 -0.192) 0.699 45.344 ( 0.000 -1.097 1.186) 1.615 45.437 ( 0.000 -5.892 -0.928) 5.964 56.639 ( 0.000 -3.865 0.464) 3.893 56.684 ( 0.000 -6.046 -0.562) 6.072 60.369 ( 0.000 -8.446 2.711) 8.871 60.580 ( 0.000 -18.667 -2.067) 18.781 ======================= Grid point 148 (58/96) ======================= q-point: ( 0.17 0.43 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 18.110 14.222 2.208) 23.132 3.104 ( 17.738 7.451 4.730) 19.812 3.198 ( 30.934 10.215 1.839) 32.629 3.276 ( 3.424 2.806 0.434) 4.448 3.454 ( 1.165 8.053 -0.806) 8.177 3.587 ( -4.231 -6.783 -0.405) 8.005 3.720 ( 5.689 -7.777 0.863) 9.674 3.876 ( -2.579 -2.649 -0.925) 3.811 4.079 ( -0.477 -2.128 -6.493) 6.850 4.101 ( 0.610 -3.834 -6.134) 7.259 4.274 ( 1.169 5.999 7.488) 9.666 4.424 ( 3.472 2.853 6.761) 8.118 4.602 ( 6.940 1.202 1.460) 7.193 4.706 ( 13.067 -1.270 2.597) 13.383 5.107 ( 5.392 4.387 -1.871) 7.199 5.191 ( -0.985 4.235 1.540) 4.612 5.312 ( 2.731 2.051 -2.981) 4.534 5.385 ( 1.627 -2.180 6.501) 7.047 5.514 ( -4.357 10.140 1.248) 11.106 5.601 ( 0.400 6.306 3.422) 7.186 5.656 ( 2.504 2.919 -0.817) 3.932 5.726 ( 1.787 0.878 1.281) 2.368 5.853 ( 6.068 2.473 1.041) 6.635 5.980 ( -0.083 -0.413 -3.570) 3.594 6.023 ( -3.688 7.062 -9.434) 12.348 6.104 ( -2.189 0.894 -3.401) 4.142 6.413 ( -3.908 8.750 -1.296) 9.671 6.447 ( 1.330 2.529 1.591) 3.271 6.482 ( 1.471 1.241 3.049) 3.606 6.575 ( 3.658 6.973 -1.431) 8.003 6.612 ( -1.589 2.971 -5.662) 6.588 6.692 ( 2.736 1.273 -4.166) 5.144 6.942 ( -4.738 -0.352 2.856) 5.544 6.983 ( 0.196 5.039 3.172) 5.957 7.372 ( -1.847 8.879 3.174) 9.608 7.399 ( -0.177 7.942 0.653) 7.970 7.569 ( -6.627 8.633 -4.485) 11.771 7.732 ( 0.292 7.795 -3.449) 8.529 7.769 ( 8.793 3.541 2.134) 9.716 7.830 ( 4.112 -3.279 1.395) 5.441 8.019 ( 3.753 -2.597 -1.514) 4.809 8.064 ( -0.064 -0.354 -1.791) 1.826 8.306 ( -1.058 9.482 3.052) 10.017 8.447 ( 1.773 13.258 -0.034) 13.376 8.852 ( 1.003 -7.216 4.920) 8.791 9.153 ( -2.000 -13.463 -2.768) 13.889 11.291 ( -39.109 -2.253 0.771) 39.181 11.361 ( -35.649 -5.677 -0.800) 36.107 15.847 ( 3.944 0.028 0.172) 3.948 15.874 ( 4.990 -1.255 -0.485) 5.168 15.963 ( 1.926 -1.064 0.325) 2.224 15.975 ( 1.545 -1.553 0.016) 2.191 17.259 ( 8.818 -0.385 0.051) 8.827 17.272 ( 8.536 -0.972 -0.239) 8.594 17.426 ( 4.418 -0.196 0.341) 4.436 17.467 ( 5.566 -2.331 -0.599) 6.064 21.637 ( 0.616 3.084 -0.045) 3.145 21.651 ( 0.289 2.069 -0.374) 2.123 21.719 ( -0.841 4.129 0.029) 4.213 21.724 ( -0.635 3.926 -0.086) 3.978 25.827 ( 4.454 -0.208 0.068) 4.459 25.838 ( 4.446 -0.748 -0.176) 4.512 26.394 ( -4.354 -0.235 -0.066) 4.361 26.398 ( -4.351 -0.415 -0.146) 4.373 33.575 ( 22.688 -1.359 0.378) 22.732 33.613 ( 22.492 -3.156 -0.501) 22.718 35.847 ( -9.363 -4.332 0.542) 10.331 35.874 ( -11.139 -5.513 -0.100) 12.429 38.087 ( 0.221 0.858 1.442) 1.693 38.214 ( 0.207 -4.920 -1.419) 5.125 38.807 ( 2.888 1.064 -0.222) 3.086 38.817 ( 3.065 0.127 -0.492) 3.107 39.179 ( -15.074 -0.981 0.862) 15.130 39.188 ( -11.592 0.107 0.429) 11.600 39.256 ( -4.849 1.003 0.250) 4.958 39.304 ( -8.845 -3.472 -0.598) 9.521 43.598 ( 20.655 -0.069 0.318) 20.658 43.625 ( 21.455 -1.330 -0.283) 21.498 45.262 ( -8.350 -1.052 1.135) 8.492 45.352 ( -8.737 -5.648 -0.891) 10.441 56.880 ( 24.329 -4.166 0.687) 24.692 56.947 ( 26.258 -7.358 -0.838) 27.282 60.118 ( -25.154 -8.296 2.628) 26.617 60.323 ( -25.777 -18.237 -2.016) 31.640 ======================= Grid point 149 (59/96) ======================= q-point: ( 0.33 0.43 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 4.093 14.992 6.545) 16.863 3.251 ( 0.525 5.948 2.807) 6.598 3.362 ( 1.074 1.317 1.835) 2.501 3.424 ( -1.333 5.863 2.656) 6.573 3.499 ( -2.609 -1.105 -0.415) 2.864 3.623 ( -3.702 4.955 -0.529) 6.207 3.828 ( 2.741 -3.537 -0.224) 4.480 3.868 ( -2.959 -7.231 0.348) 7.821 4.195 ( 12.690 1.902 -6.436) 14.355 4.302 ( 19.163 0.348 -3.525) 19.488 4.461 ( 3.964 1.030 1.784) 4.468 4.505 ( 6.459 2.743 3.745) 7.954 4.918 ( 23.498 2.059 3.874) 23.904 5.001 ( 21.726 -0.915 2.179) 21.854 5.188 ( 4.926 5.328 -1.959) 7.516 5.212 ( 0.514 8.023 2.441) 8.402 5.342 ( 0.216 2.824 -3.069) 4.176 5.448 ( 2.415 3.215 3.783) 5.521 5.460 ( 1.324 6.036 6.999) 9.336 5.612 ( 0.976 1.968 3.631) 4.244 5.652 ( 2.430 3.570 -0.905) 4.412 5.809 ( 3.402 2.613 -6.143) 7.492 5.949 ( -2.535 6.648 -8.326) 10.952 5.972 ( 1.121 1.471 -2.141) 2.829 6.003 ( 5.341 0.341 0.133) 5.353 6.095 ( 1.482 -1.553 -0.914) 2.333 6.319 ( -6.691 9.010 -2.607) 11.521 6.413 ( -5.649 1.760 2.647) 6.482 6.448 ( -6.001 1.443 1.064) 6.263 6.568 ( -4.547 5.418 -7.465) 10.284 6.634 ( 4.354 3.727 -1.356) 5.889 6.759 ( 0.601 -4.849 -2.255) 5.382 6.929 ( 9.654 5.425 4.590) 11.988 7.052 ( 6.835 5.500 1.847) 8.965 7.314 ( -5.209 10.475 -1.432) 11.786 7.401 ( -1.153 6.551 -1.413) 6.800 7.454 ( -2.467 8.472 -0.052) 8.824 7.674 ( -5.694 7.512 3.472) 10.046 7.846 ( 1.488 -6.459 0.961) 6.698 8.026 ( -0.846 -4.836 1.009) 5.012 8.047 ( 10.112 9.243 0.337) 13.705 8.209 ( 11.145 6.480 -2.678) 13.167 8.315 ( 7.181 10.221 3.182) 12.890 8.568 ( 13.562 3.434 -4.848) 14.806 8.891 ( 4.063 -6.943 4.983) 9.463 9.126 ( 0.724 -11.183 -1.962) 11.377 10.307 ( -57.595 -0.573 1.614) 57.620 10.438 ( -54.999 -7.048 -1.361) 55.465 15.921 ( 3.056 0.106 -0.029) 3.058 15.953 ( 2.001 -0.812 -1.104) 2.425 15.998 ( 1.958 -2.696 0.920) 3.457 16.010 ( 1.593 -2.634 0.313) 3.094 17.445 ( 8.605 -0.382 0.010) 8.613 17.462 ( 9.332 -1.192 -0.491) 9.420 17.526 ( 4.716 -0.405 0.639) 4.776 17.577 ( 4.432 -3.012 -0.633) 5.395 21.654 ( 1.077 3.222 -0.073) 3.398 21.660 ( 0.700 2.702 -0.221) 2.800 21.698 ( -1.173 3.928 0.037) 4.099 21.705 ( -1.186 3.667 -0.125) 3.856 25.948 ( 7.577 -0.042 0.010) 7.577 25.958 ( 7.542 -0.586 -0.231) 7.569 26.275 ( -7.546 -0.170 0.038) 7.548 26.281 ( -7.365 -0.515 -0.109) 7.384 34.164 ( 35.859 -2.911 0.450) 35.980 34.213 ( 36.691 -5.530 -0.673) 37.111 35.516 ( -25.749 -4.889 0.264) 26.211 35.534 ( -23.400 -5.905 -0.106) 24.134 38.148 ( 7.153 0.186 1.362) 7.283 38.268 ( 6.335 -5.387 -1.357) 8.425 38.768 ( -20.143 -1.121 0.270) 20.176 38.829 ( -15.742 -3.101 -1.460) 16.110 38.909 ( 2.788 0.891 0.902) 3.062 38.923 ( 2.531 -0.273 0.701) 2.641 39.152 ( -6.133 2.299 0.185) 6.552 39.173 ( -6.428 0.715 -0.292) 6.474 44.093 ( 27.722 -0.418 0.544) 27.730 44.137 ( 28.673 -2.607 -0.453) 28.795 45.017 ( -16.806 -0.929 0.995) 16.861 45.096 ( -17.514 -4.956 -0.784) 18.219 57.552 ( 43.017 -5.070 1.094) 43.328 57.662 ( 45.345 -10.386 -1.432) 46.541 59.431 ( -43.624 -7.829 2.434) 44.388 59.617 ( -44.955 -16.874 -1.803) 48.052 ======================= Grid point 150 (60/96) ======================= q-point: (-0.50 0.43 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -3.650 9.262 5.269) 11.264 3.221 ( 3.650 9.262 5.269) 11.264 3.381 ( -1.787 2.443 2.642) 4.018 3.381 ( 1.787 2.443 2.642) 4.018 3.511 ( -4.144 4.248 -0.419) 5.949 3.511 ( 4.144 4.248 -0.419) 5.949 3.833 ( -0.577 -6.165 -1.643) 6.407 3.833 ( 0.577 -6.165 -1.643) 6.407 4.383 ( -7.199 4.144 -2.126) 8.574 4.383 ( 7.199 4.144 -2.126) 8.575 4.556 ( -5.028 -2.797 1.535) 5.955 4.556 ( 5.028 -2.797 1.535) 5.955 5.139 ( -6.195 9.796 4.139) 12.308 5.139 ( 6.195 9.796 4.139) 12.308 5.279 ( -4.544 4.611 -3.330) 7.280 5.279 ( 4.544 4.611 -3.330) 7.280 5.473 ( -3.650 2.807 3.815) 5.979 5.473 ( 3.650 2.807 3.815) 5.979 5.507 ( -10.721 0.563 2.277) 10.974 5.507 ( 10.721 0.563 2.277) 10.974 5.875 ( -1.679 5.818 -5.134) 7.939 5.875 ( 1.679 5.818 -5.134) 7.939 5.988 ( -7.179 1.412 -1.689) 7.509 5.988 ( 7.179 1.412 -1.689) 7.509 6.058 ( -12.932 2.345 0.354) 13.147 6.058 ( 12.932 2.345 0.354) 13.147 6.185 ( -6.110 -2.405 -0.022) 6.567 6.185 ( 6.111 -2.405 -0.022) 6.567 6.466 ( -4.922 9.486 -4.382) 11.551 6.466 ( 4.922 9.486 -4.382) 11.551 6.718 ( -3.580 0.106 -0.694) 3.648 6.718 ( 3.580 0.105 -0.694) 3.648 7.175 ( -7.829 6.625 -2.742) 10.616 7.175 ( 7.829 6.625 -2.742) 10.616 7.249 ( -12.314 3.742 -2.349) 13.082 7.249 ( 12.314 3.742 -2.349) 13.082 7.536 ( -7.362 9.576 7.191) 14.057 7.536 ( 7.362 9.576 7.191) 14.057 7.922 ( -6.022 -8.856 4.274) 11.530 7.922 ( 6.022 -8.856 4.274) 11.530 8.206 ( -4.647 18.678 -1.927) 19.344 8.206 ( 4.647 18.678 -1.927) 19.344 8.697 ( -12.415 -5.367 -3.157) 13.889 8.697 ( 12.415 -5.367 -3.157) 13.889 9.274 ( -36.821 -0.518 1.852) 36.871 9.274 ( 36.821 -0.518 1.852) 36.871 9.424 ( -37.890 -8.344 -0.411) 38.800 9.424 ( 37.890 -8.344 -0.411) 38.800 15.959 ( -0.898 -0.091 -0.549) 1.056 15.959 ( 0.898 -0.091 -0.549) 1.056 16.024 ( -0.273 -3.342 0.616) 3.410 16.024 ( 0.273 -3.342 0.616) 3.410 17.551 ( -1.479 -0.163 -0.074) 1.490 17.551 ( 1.479 -0.163 -0.074) 1.490 17.599 ( -2.538 -2.601 -0.167) 3.638 17.599 ( 2.538 -2.601 -0.167) 3.638 21.675 ( -0.996 3.498 -0.055) 3.637 21.675 ( 0.996 3.498 -0.055) 3.637 21.681 ( -1.184 3.344 -0.112) 3.549 21.681 ( 1.184 3.344 -0.112) 3.549 26.099 ( -2.328 0.547 -0.746) 2.505 26.099 ( 2.328 0.547 -0.746) 2.505 26.134 ( -2.218 -1.131 0.607) 2.563 26.134 ( 2.218 -1.131 0.607) 2.563 34.892 ( -35.980 -3.997 0.463) 36.205 34.892 ( 35.980 -3.997 0.463) 36.205 34.945 ( -35.125 -6.856 -0.591) 35.792 34.945 ( 35.125 -6.856 -0.591) 35.792 38.381 ( -15.490 -0.424 0.709) 15.512 38.381 ( 15.490 -0.424 0.709) 15.512 38.487 ( -14.073 -5.384 -0.634) 15.081 38.487 ( 14.073 -5.384 -0.634) 15.081 39.023 ( -6.497 2.164 0.205) 6.851 39.023 ( 6.497 2.164 0.205) 6.851 39.041 ( -6.654 0.861 -0.105) 6.710 39.041 ( 6.654 0.861 -0.105) 6.710 44.611 ( -23.854 -0.678 0.713) 23.874 44.611 ( 23.854 -0.678 0.713) 23.874 44.675 ( -24.763 -3.942 -0.558) 25.081 44.675 ( 24.763 -3.942 -0.558) 25.081 58.463 ( -38.008 -5.275 -0.463) 38.375 58.463 ( 38.007 -5.275 -0.463) 38.375 58.667 ( -40.000 -15.338 0.567) 42.844 58.667 ( 40.000 -15.338 0.567) 42.844 ======================= Grid point 154 (61/96) ======================= q-point: ( 0.00 -0.50 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 -1.442 -0.102) 1.446 2.738 ( 0.000 1.442 -0.102) 1.446 3.379 ( 0.000 -5.025 -1.374) 5.210 3.379 ( 0.000 5.026 -1.374) 5.210 3.442 ( 0.000 -0.181 0.849) 0.868 3.442 ( 0.000 0.181 0.849) 0.868 3.787 ( 0.000 -12.634 0.208) 12.636 3.787 ( 0.000 12.634 0.208) 12.636 4.024 ( 0.000 -2.991 0.004) 2.991 4.024 ( 0.000 2.991 0.004) 2.991 4.452 ( 0.000 -1.795 6.066) 6.326 4.452 ( 0.000 1.795 6.066) 6.326 4.512 ( 0.000 -0.236 1.507) 1.525 4.512 ( 0.000 0.236 1.507) 1.525 5.159 ( 0.000 -7.929 -0.240) 7.933 5.159 ( 0.000 7.929 -0.240) 7.933 5.293 ( 0.000 -0.974 -1.725) 1.981 5.293 ( 0.000 0.974 -1.725) 1.981 5.649 ( 0.000 -0.916 3.587) 3.702 5.649 ( 0.000 0.916 3.587) 3.702 5.747 ( 0.000 -3.117 1.674) 3.538 5.747 ( 0.000 3.117 1.674) 3.538 5.867 ( 0.000 -5.468 -1.336) 5.629 5.867 ( 0.000 5.468 -1.336) 5.629 6.158 ( 0.000 -0.740 -6.442) 6.484 6.158 ( 0.000 0.740 -6.442) 6.484 6.447 ( 0.000 -1.777 1.080) 2.080 6.447 ( 0.000 1.777 1.080) 2.080 6.550 ( 0.000 -0.485 -2.324) 2.374 6.550 ( 0.000 0.485 -2.324) 2.374 6.741 ( 0.000 -4.202 -4.128) 5.890 6.741 ( 0.000 4.202 -4.128) 5.890 6.993 ( 0.000 -1.986 5.380) 5.735 6.993 ( 0.000 1.986 5.380) 5.735 7.482 ( 0.000 -0.094 2.751) 2.752 7.482 ( 0.000 0.094 2.751) 2.752 7.693 ( 0.000 -1.663 3.448) 3.828 7.693 ( 0.000 1.663 3.448) 3.828 7.864 ( 0.000 -7.745 -2.619) 8.176 7.864 ( 0.000 7.745 -2.619) 8.176 7.927 ( 0.000 -9.028 -6.923) 11.376 7.927 ( 0.000 9.028 -6.923) 11.376 8.567 ( 0.000 -10.327 1.576) 10.446 8.567 ( 0.000 10.327 1.576) 10.447 8.855 ( 0.000 -15.013 1.375) 15.075 8.855 ( 0.000 15.013 1.375) 15.075 11.667 ( 0.000 -0.007 -0.045) 0.045 11.667 ( 0.000 0.007 -0.045) 0.045 15.804 ( 0.000 -0.288 0.098) 0.305 15.804 ( 0.000 0.288 0.098) 0.305 15.940 ( 0.000 -0.481 -0.082) 0.488 15.940 ( 0.000 0.481 -0.082) 0.488 17.165 ( 0.000 -0.426 -0.007) 0.426 17.165 ( 0.000 0.426 -0.007) 0.426 17.383 ( 0.000 -0.544 -0.153) 0.565 17.383 ( 0.000 0.544 -0.153) 0.565 21.665 ( 0.000 -0.329 -0.174) 0.372 21.665 ( 0.000 0.329 -0.174) 0.372 21.771 ( 0.000 -0.008 -0.030) 0.031 21.771 ( 0.000 0.008 -0.030) 0.031 25.783 ( 0.000 -0.266 -0.003) 0.266 25.783 ( 0.000 0.266 -0.003) 0.266 26.437 ( 0.000 -0.119 -0.111) 0.162 26.437 ( 0.000 0.119 -0.111) 0.163 33.353 ( 0.000 -1.118 -0.013) 1.118 33.353 ( 0.000 1.118 -0.013) 1.118 35.906 ( 0.000 -1.126 0.179) 1.140 35.906 ( 0.000 1.126 0.179) 1.140 38.138 ( 0.000 -3.205 -0.025) 3.205 38.138 ( 0.000 3.205 -0.025) 3.205 38.786 ( 0.000 -0.038 -0.161) 0.166 38.786 ( 0.000 0.038 -0.161) 0.166 39.305 ( 0.000 -1.201 0.292) 1.236 39.305 ( 0.000 1.201 0.292) 1.236 39.354 ( 0.000 -2.024 -0.077) 2.025 39.354 ( 0.000 2.024 -0.077) 2.025 43.386 ( 0.000 -0.443 0.005) 0.443 43.386 ( 0.000 0.443 0.005) 0.443 45.354 ( 0.000 -2.217 0.091) 2.219 45.354 ( 0.000 2.217 0.091) 2.219 56.610 ( 0.000 -1.111 0.022) 1.112 56.610 ( 0.000 1.112 0.022) 1.112 60.335 ( 0.000 -5.171 0.178) 5.174 60.335 ( 0.000 5.171 0.178) 5.174 ======================= Grid point 156 (62/96) ======================= q-point: ( 0.17 -0.50 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 27.594 -2.978 1.198) 27.780 3.159 ( 27.594 2.978 1.198) 27.780 3.390 ( 0.627 -9.714 -0.668) 9.757 3.390 ( 0.627 9.714 -0.668) 9.758 3.489 ( 11.229 -8.019 0.001) 13.799 3.489 ( 11.229 8.019 0.001) 13.799 3.709 ( -5.388 -10.364 0.908) 11.716 3.709 ( -5.388 10.365 0.908) 11.716 4.063 ( 1.428 -1.345 -4.812) 5.197 4.063 ( 1.428 1.345 -4.812) 5.197 4.392 ( 2.468 -4.793 9.222) 10.682 4.392 ( 2.468 4.793 9.222) 10.682 4.659 ( 9.087 -3.340 1.688) 9.827 4.659 ( 9.087 3.340 1.688) 9.827 5.200 ( 3.417 -4.036 -0.756) 5.343 5.200 ( 3.417 4.037 -0.756) 5.343 5.327 ( 3.770 -1.585 -0.828) 4.172 5.327 ( 3.770 1.585 -0.828) 4.172 5.648 ( -2.786 -2.474 1.980) 4.220 5.648 ( -2.786 2.474 1.980) 4.220 5.699 ( -0.027 -2.280 2.233) 3.192 5.699 ( -0.027 2.280 2.233) 3.192 5.929 ( 4.177 -3.667 -1.417) 5.735 5.929 ( 4.177 3.667 -1.417) 5.735 6.116 ( -3.534 -1.284 -6.134) 7.195 6.116 ( -3.534 1.285 -6.134) 7.195 6.475 ( 1.425 -0.878 2.949) 3.391 6.475 ( 1.425 0.878 2.949) 3.391 6.548 ( 0.480 -4.725 -2.372) 5.309 6.548 ( 0.480 4.725 -2.372) 5.309 6.721 ( -2.698 -2.248 -5.353) 6.402 6.721 ( -2.698 2.248 -5.353) 6.402 6.978 ( -0.027 -3.786 5.338) 6.544 6.978 ( -0.027 3.786 5.338) 6.544 7.473 ( -0.627 -0.699 1.589) 1.846 7.473 ( -0.627 0.699 1.589) 1.846 7.714 ( -1.613 -5.241 -0.249) 5.490 7.714 ( -1.613 5.241 -0.249) 5.490 7.883 ( 4.826 -6.967 -2.212) 8.759 7.883 ( 4.826 6.967 -2.212) 8.759 7.939 ( 1.795 -7.076 -1.911) 7.546 7.939 ( 1.795 7.076 -1.911) 7.546 8.573 ( 0.599 -10.538 0.847) 10.589 8.573 ( 0.599 10.538 0.847) 10.589 8.848 ( -0.354 -14.242 1.193) 14.296 8.848 ( -0.354 14.242 1.193) 14.296 11.285 ( -37.302 -1.703 -0.049) 37.341 11.285 ( -37.302 1.703 -0.049) 37.341 15.854 ( 4.311 -0.693 0.095) 4.367 15.854 ( 4.311 0.693 0.095) 4.367 15.955 ( 1.256 -0.306 -0.061) 1.294 15.955 ( 1.256 0.306 -0.061) 1.294 17.259 ( 8.666 -0.333 -0.021) 8.673 17.259 ( 8.666 0.333 -0.021) 8.673 17.434 ( 4.762 -0.972 -0.146) 4.863 17.434 ( 4.762 0.972 -0.146) 4.863 21.671 ( 0.604 -0.257 -0.156) 0.675 21.671 ( 0.604 0.257 -0.156) 0.675 21.763 ( -0.820 -0.136 -0.033) 0.832 21.763 ( -0.820 0.136 -0.033) 0.832 25.828 ( 4.515 -0.262 -0.009) 4.523 25.828 ( 4.515 0.262 -0.009) 4.523 26.393 ( -4.347 -0.098 -0.102) 4.350 26.393 ( -4.347 0.098 -0.102) 4.350 33.571 ( 21.669 -0.965 -0.028) 21.690 33.571 ( 21.669 0.965 -0.028) 21.690 35.810 ( -10.459 -0.688 0.141) 10.482 35.810 ( -10.459 0.688 0.141) 10.482 38.128 ( -0.125 -3.206 -0.015) 3.208 38.128 ( -0.125 3.206 -0.015) 3.208 38.820 ( 3.327 -0.137 -0.240) 3.338 38.820 ( 3.327 0.137 -0.240) 3.338 39.168 ( -16.220 -0.778 0.386) 16.243 39.168 ( -16.220 0.778 0.386) 16.243 39.279 ( -3.860 -0.602 -0.092) 3.907 39.279 ( -3.860 0.602 -0.092) 3.907 43.604 ( 20.680 -0.663 0.014) 20.691 43.604 ( 20.680 0.663 0.014) 20.691 45.273 ( -8.393 -2.127 0.086) 8.658 45.273 ( -8.393 2.127 0.086) 8.658 56.854 ( 24.505 -1.661 0.021) 24.561 56.854 ( 24.505 1.661 0.021) 24.561 60.084 ( -25.142 -5.020 0.158) 25.639 60.084 ( -25.142 5.020 0.158) 25.639 ======================= Grid point 158 (63/96) ======================= q-point: ( 0.33 -0.50 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 1.506 -2.282 1.283) 3.020 3.337 ( 1.506 2.282 1.282) 3.020 3.380 ( -1.167 -6.640 1.005) 6.816 3.380 ( -1.167 6.640 1.005) 6.817 3.636 ( -1.371 -10.058 0.426) 10.160 3.636 ( -1.371 10.058 0.426) 10.160 3.748 ( -1.209 -3.979 0.780) 4.231 3.748 ( -1.209 3.979 0.780) 4.231 4.256 ( 16.805 -3.431 -4.547) 17.744 4.256 ( 16.805 3.431 -4.547) 17.744 4.516 ( 4.235 -2.307 6.033) 7.724 4.516 ( 4.235 2.308 6.033) 7.724 4.955 ( 24.104 -2.416 3.483) 24.474 4.955 ( 24.104 2.416 3.483) 24.474 5.272 ( 3.888 -2.203 -2.015) 4.902 5.272 ( 3.888 2.203 -2.015) 4.902 5.419 ( 4.298 -4.519 0.730) 6.279 5.419 ( 4.298 4.519 0.730) 6.279 5.566 ( -3.614 -4.127 3.800) 6.674 5.566 ( -3.614 4.128 3.800) 6.674 5.761 ( 5.925 -5.439 -0.895) 8.093 5.761 ( 5.925 5.439 -0.895) 8.093 5.997 ( 2.337 -1.228 -1.977) 3.298 5.997 ( 2.337 1.228 -1.977) 3.298 6.058 ( -1.425 -2.779 -5.328) 6.176 6.058 ( -1.426 2.779 -5.329) 6.176 6.408 ( -10.904 -1.762 3.280) 11.523 6.408 ( -10.904 1.762 3.280) 11.523 6.572 ( 2.573 -7.757 -3.095) 8.739 6.572 ( 2.573 7.757 -3.095) 8.739 6.673 ( -0.720 -3.585 -3.283) 4.914 6.673 ( -0.720 3.585 -3.283) 4.914 7.056 ( 8.591 -4.640 2.817) 10.163 7.056 ( 8.591 4.640 2.817) 10.163 7.440 ( -4.487 -1.972 -2.300) 5.414 7.440 ( -4.486 1.973 -2.300) 5.414 7.658 ( -0.695 -9.633 -0.062) 9.658 7.658 ( -0.695 9.633 -0.062) 9.658 7.858 ( -5.153 -8.560 4.482) 10.951 7.858 ( -5.153 8.560 4.482) 10.951 8.195 ( 20.482 -4.815 -2.424) 21.179 8.195 ( 20.482 4.816 -2.424) 21.179 8.583 ( -0.058 -10.088 -0.685) 10.112 8.583 ( -0.058 10.088 -0.685) 10.112 8.877 ( 5.590 -10.663 1.102) 12.090 8.877 ( 5.590 10.663 1.102) 12.090 10.333 ( -56.237 -3.201 -0.034) 56.328 10.333 ( -56.237 3.201 -0.034) 56.328 15.935 ( 3.266 -1.084 0.077) 3.442 15.935 ( 3.266 1.084 0.077) 3.442 15.975 ( 0.599 -0.566 -0.012) 0.824 15.975 ( 0.599 0.566 -0.012) 0.824 17.446 ( 8.934 -0.427 -0.053) 8.944 17.446 ( 8.934 0.428 -0.053) 8.944 17.534 ( 4.357 -1.230 -0.125) 4.529 17.534 ( 4.357 1.230 -0.125) 4.530 21.688 ( 1.131 -0.106 -0.115) 1.142 21.688 ( 1.131 0.106 -0.115) 1.142 21.741 ( -1.349 -0.197 -0.045) 1.364 21.741 ( -1.349 0.197 -0.045) 1.364 25.950 ( 7.671 -0.249 -0.026) 7.675 25.950 ( 7.671 0.249 -0.026) 7.675 26.275 ( -7.498 -0.141 -0.079) 7.500 26.275 ( -7.498 0.141 -0.079) 7.500 34.145 ( 35.327 -1.145 -0.045) 35.346 34.145 ( 35.327 1.145 -0.045) 35.346 35.469 ( -24.787 -0.376 0.054) 24.790 35.469 ( -24.787 0.376 0.054) 24.790 38.180 ( 6.557 -2.987 0.001) 7.205 38.180 ( 6.557 2.987 0.001) 7.205 38.772 ( -20.092 -1.676 -0.383) 20.165 38.772 ( -20.092 1.676 -0.383) 20.165 38.923 ( 4.981 -0.253 0.444) 5.007 38.923 ( 4.981 0.253 0.444) 5.007 39.180 ( -6.153 -0.399 -0.000) 6.166 39.180 ( -6.153 0.399 -0.000) 6.166 44.099 ( 27.754 -1.072 0.034) 27.775 44.099 ( 27.754 1.072 0.034) 27.775 45.026 ( -16.884 -1.872 0.073) 16.987 45.026 ( -16.884 1.872 0.073) 16.987 57.527 ( 43.055 -2.718 0.028) 43.141 57.527 ( 43.055 2.719 0.028) 43.141 59.397 ( -43.640 -4.557 0.108) 43.877 59.397 ( -43.640 4.557 0.108) 43.877 ======================= Grid point 160 (64/96) ======================= q-point: (-0.50 -0.50 0.20) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -0.871 -4.202 1.399) 4.514 3.357 ( 0.794 -4.198 1.399) 4.496 3.357 ( -0.794 4.198 1.399) 4.496 3.357 ( 0.871 4.202 1.399) 4.514 3.664 ( -3.635 -9.327 0.160) 10.012 3.664 ( 3.194 -9.287 0.160) 9.822 3.664 ( -3.194 9.287 0.160) 9.823 3.664 ( 3.635 9.328 0.160) 10.012 4.479 ( -6.745 -4.562 1.179) 8.228 4.479 ( 4.712 -3.872 1.179) 6.211 4.479 ( -4.712 3.872 1.179) 6.211 4.479 ( 6.746 4.562 1.179) 8.229 5.282 ( -5.708 -3.883 -0.240) 6.908 5.282 ( 1.222 -2.703 -0.240) 2.976 5.282 ( -1.222 2.703 -0.240) 2.976 5.282 ( 5.708 3.883 -0.240) 6.908 5.502 ( -4.525 -1.475 3.243) 5.759 5.502 ( -4.406 1.383 3.243) 5.643 5.502 ( 4.406 -1.383 3.243) 5.643 5.502 ( 4.525 1.475 3.243) 5.759 5.965 ( -7.402 -2.446 -2.063) 8.065 5.965 ( -6.399 -1.589 -2.063) 6.909 5.965 ( 6.400 1.589 -2.063) 6.909 5.965 ( 7.402 2.446 -2.063) 8.065 6.123 ( -11.780 -3.488 -0.651) 12.303 6.123 ( -10.967 2.747 -0.651) 11.325 6.123 ( 10.967 -2.747 -0.651) 11.325 6.123 ( 11.780 3.488 -0.651) 12.303 6.642 ( -2.603 -6.923 -3.169) 8.046 6.642 ( 1.876 -6.863 -3.169) 7.789 6.642 ( -1.876 6.864 -3.169) 7.789 6.642 ( 2.603 6.923 -3.169) 8.046 7.273 ( -11.442 -2.535 -2.586) 12.002 7.273 ( -11.155 2.192 -2.586) 11.659 7.273 ( 11.155 -2.191 -2.586) 11.659 7.273 ( 11.442 2.535 -2.586) 12.002 7.731 ( -6.552 -9.387 6.121) 12.981 7.731 ( 5.904 -9.279 6.121) 12.587 7.731 ( -5.904 9.279 6.121) 12.587 7.731 ( 6.552 9.387 6.121) 12.981 8.527 ( -6.811 -11.720 -2.631) 13.808 8.527 ( 3.696 -11.366 -2.631) 12.238 8.527 ( -3.696 11.366 -2.631) 12.238 8.527 ( 6.811 11.720 -2.631) 13.808 9.299 ( -42.517 -3.461 0.566) 42.662 9.299 ( -42.486 3.364 0.566) 42.623 9.299 ( 42.486 -3.364 0.566) 42.623 9.299 ( 42.517 3.461 0.566) 42.662 15.974 ( -0.658 -1.560 0.040) 1.694 15.974 ( 0.366 -1.536 0.040) 1.580 15.974 ( -0.366 1.536 0.040) 1.580 15.974 ( 0.658 1.560 0.040) 1.694 17.561 ( -2.129 -1.119 -0.091) 2.407 17.561 ( -0.595 -0.454 -0.091) 0.754 17.561 ( 0.595 0.455 -0.091) 0.754 17.561 ( 2.129 1.119 -0.091) 2.407 21.713 ( -1.432 -0.146 -0.073) 1.442 21.713 ( -1.428 0.135 -0.073) 1.436 21.713 ( 1.428 -0.135 -0.073) 1.436 21.713 ( 1.432 0.146 -0.073) 1.442 26.113 ( -8.558 -0.367 -0.051) 8.566 26.113 ( -8.527 0.037 -0.051) 8.528 26.113 ( 8.527 -0.037 -0.051) 8.528 26.113 ( 8.558 0.367 -0.051) 8.566 34.863 ( -35.952 -1.179 -0.021) 35.972 34.863 ( -35.952 1.173 -0.021) 35.971 34.863 ( 35.952 -1.173 -0.021) 35.971 34.863 ( 35.952 1.179 -0.021) 35.972 38.403 ( -15.936 -2.522 -0.022) 16.135 38.403 ( -15.752 2.214 -0.022) 15.907 38.403 ( 15.752 -2.214 -0.022) 15.907 38.403 ( 15.936 2.522 -0.022) 16.135 39.049 ( -6.986 -0.327 0.059) 6.994 39.049 ( -6.985 0.323 0.059) 6.993 39.049 ( 6.985 -0.323 0.059) 6.993 39.049 ( 6.986 0.327 0.059) 6.994 44.619 ( -24.446 -1.506 0.054) 24.493 44.619 ( -24.443 1.492 0.054) 24.488 44.619 ( 24.443 -1.492 0.054) 24.488 44.619 ( 24.446 1.506 0.054) 24.493 58.459 ( -49.954 -4.092 0.057) 50.121 58.459 ( -49.707 3.256 0.057) 49.814 58.459 ( 49.707 -3.256 0.057) 49.814 58.459 ( 49.954 4.092 0.057) 50.121 ======================= Grid point 210 (65/96) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 0.000 12.902) 12.902 0.786 ( 0.000 0.000 -11.352) 11.352 1.102 ( 0.000 0.000 23.909) 23.909 1.471 ( 0.000 0.000 -9.327) 9.327 2.402 ( 0.000 0.000 3.051) 3.051 2.479 ( 0.000 0.000 -4.438) 4.438 2.841 ( 0.000 0.000 35.999) 35.999 2.846 ( 0.000 0.000 3.739) 3.739 2.882 ( 0.000 0.000 0.397) 0.397 3.257 ( 0.000 0.000 0.898) 0.898 3.286 ( 0.000 0.000 -1.857) 1.857 3.324 ( 0.000 0.000 -15.307) 15.307 3.594 ( 0.000 0.000 31.013) 31.013 3.829 ( 0.000 0.000 -0.699) 0.699 3.842 ( 0.000 0.000 -1.709) 1.709 4.188 ( 0.000 0.000 5.387) 5.387 4.284 ( 0.000 0.000 -3.963) 3.963 4.325 ( 0.000 0.000 -18.099) 18.099 4.432 ( 0.000 0.000 1.435) 1.435 4.658 ( 0.000 0.000 1.090) 1.090 4.675 ( 0.000 0.000 -32.968) 32.968 4.682 ( 0.000 0.000 -1.219) 1.219 4.702 ( 0.000 0.000 1.340) 1.340 4.727 ( 0.000 0.000 -1.051) 1.051 4.854 ( 0.000 0.000 0.679) 0.679 4.918 ( 0.000 0.000 -10.253) 10.253 5.215 ( 0.000 0.000 7.566) 7.566 5.411 ( 0.000 0.000 -10.389) 10.389 5.612 ( 0.000 0.000 7.120) 7.120 5.723 ( 0.000 0.000 -4.018) 4.018 6.281 ( 0.000 0.000 7.853) 7.853 6.414 ( 0.000 0.000 -3.095) 3.095 6.649 ( 0.000 0.000 -0.184) 0.184 6.679 ( 0.000 0.000 -1.568) 1.568 7.164 ( 0.000 0.000 0.905) 0.905 7.185 ( 0.000 0.000 -0.153) 0.153 7.596 ( 0.000 0.000 1.917) 1.917 7.642 ( 0.000 0.000 -2.574) 2.574 7.875 ( 0.000 0.000 -0.841) 0.841 7.886 ( 0.000 0.000 -0.930) 0.930 7.955 ( 0.000 0.000 2.800) 2.800 8.006 ( 0.000 0.000 -2.142) 2.142 8.475 ( 0.000 0.000 3.511) 3.511 8.485 ( 0.000 0.000 2.778) 2.778 8.939 ( 0.000 0.000 27.077) 27.077 9.423 ( 0.000 0.000 -19.930) 19.930 12.601 ( 0.000 0.000 4.356) 4.356 12.726 ( 0.000 0.000 -7.449) 7.449 15.921 ( 0.000 0.000 0.348) 0.348 15.932 ( 0.000 0.000 -0.844) 0.844 16.103 ( 0.000 0.000 1.535) 1.535 16.129 ( 0.000 0.000 -0.979) 0.979 17.393 ( 0.000 0.000 0.557) 0.557 17.405 ( 0.000 0.000 -0.566) 0.566 17.647 ( 0.000 0.000 3.385) 3.385 17.717 ( 0.000 0.000 -3.271) 3.271 20.809 ( 0.000 0.000 0.091) 0.091 20.811 ( 0.000 0.000 -0.098) 0.098 20.888 ( 0.000 0.000 0.010) 0.010 20.888 ( 0.000 0.000 -0.004) 0.004 25.942 ( 0.000 0.000 0.541) 0.541 25.957 ( 0.000 0.000 -0.851) 0.851 26.576 ( 0.000 0.000 0.890) 0.890 26.591 ( 0.000 0.000 -0.568) 0.568 33.589 ( 0.000 0.000 3.446) 3.446 33.657 ( 0.000 0.000 -3.068) 3.068 37.392 ( 0.000 0.000 8.361) 8.361 37.583 ( 0.000 0.000 -9.934) 9.934 38.040 ( 0.000 0.000 0.241) 0.241 38.045 ( 0.000 0.000 -0.247) 0.247 38.543 ( 0.000 0.000 0.302) 0.302 38.549 ( 0.000 0.000 -0.296) 0.296 39.096 ( 0.000 0.000 7.778) 7.778 39.287 ( 0.000 0.000 -10.658) 10.658 40.397 ( 0.000 0.000 8.665) 8.665 40.513 ( 0.000 0.000 -2.300) 2.300 43.451 ( 0.000 0.000 0.217) 0.217 43.457 ( 0.000 0.000 -0.334) 0.334 46.551 ( 0.000 0.000 3.900) 3.900 46.643 ( 0.000 0.000 -4.884) 4.884 57.630 ( 0.000 0.000 3.499) 3.499 57.715 ( 0.000 0.000 -4.612) 4.612 64.640 ( 0.000 0.000 3.094) 3.094 64.716 ( 0.000 0.000 -4.263) 4.263 ======================= Grid point 211 (66/96) ======================= q-point: ( 0.17 0.00 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 13.769 0.000 9.870) 16.941 0.894 ( 10.268 0.000 -9.829) 14.215 1.849 ( 49.156 0.000 20.018) 53.075 2.190 ( 54.114 0.000 -8.880) 54.837 2.249 ( -13.673 0.000 3.441) 14.099 2.332 ( -13.284 0.000 -4.610) 14.061 2.847 ( 0.085 0.000 3.212) 3.213 2.877 ( -0.435 0.000 0.507) 0.668 2.976 ( 15.986 0.000 37.897) 41.131 3.329 ( 5.298 0.000 0.618) 5.334 3.351 ( 4.630 0.000 -1.500) 4.867 3.580 ( 13.276 0.000 -6.979) 14.999 3.701 ( 14.696 0.000 10.891) 18.291 3.856 ( 3.677 0.000 0.497) 3.710 3.888 ( 4.688 0.000 -2.566) 5.345 4.114 ( -19.121 0.000 -4.170) 19.570 4.233 ( 4.202 0.000 4.611) 6.238 4.315 ( 2.867 0.000 -3.377) 4.429 4.319 ( -5.944 0.000 -4.034) 7.183 4.605 ( 0.149 0.000 -35.248) 35.248 4.631 ( -2.798 0.000 1.033) 2.982 4.648 ( -3.286 0.000 -0.372) 3.307 4.688 ( -1.629 0.000 0.145) 1.636 4.699 ( -2.591 0.000 -0.695) 2.683 4.931 ( 0.825 0.000 -1.829) 2.006 4.980 ( 5.771 0.000 -3.488) 6.743 5.243 ( 1.695 0.000 2.231) 2.802 5.332 ( -5.048 0.000 -3.518) 6.153 5.639 ( 2.168 0.000 0.729) 2.287 5.669 ( -3.195 0.000 -2.070) 3.807 6.307 ( 0.706 0.000 5.729) 5.772 6.412 ( -1.092 0.000 -2.653) 2.869 6.862 ( 14.639 0.000 -1.131) 14.682 6.875 ( 16.144 0.000 -2.632) 16.358 7.131 ( -1.812 0.000 3.376) 3.832 7.199 ( 2.613 0.000 -2.058) 3.326 7.604 ( 0.762 0.000 1.731) 1.891 7.645 ( 0.248 0.000 -2.274) 2.288 7.751 ( -13.376 0.000 3.943) 13.945 7.816 ( -5.916 0.000 -2.337) 6.361 7.953 ( -0.152 0.000 2.469) 2.474 7.998 ( -0.730 0.000 -1.925) 2.059 8.432 ( -4.682 0.000 5.381) 7.133 8.455 ( -4.076 0.000 3.679) 5.491 8.711 ( -12.552 0.000 16.254) 20.536 8.972 ( -22.058 0.000 -7.601) 23.331 12.244 ( -37.466 0.000 5.120) 37.815 12.347 ( -34.320 0.000 -5.065) 34.692 16.004 ( 6.120 0.000 1.800) 6.379 16.055 ( 5.419 0.000 -3.064) 6.225 16.281 ( 12.987 0.000 1.019) 13.027 16.311 ( 14.351 0.000 -2.115) 14.506 17.509 ( 11.574 0.000 1.657) 11.692 17.541 ( 13.191 0.000 -1.350) 13.259 17.854 ( 17.545 0.000 10.138) 20.263 18.153 ( 30.398 0.000 -21.012) 36.954 20.814 ( 0.508 0.000 0.087) 0.515 20.816 ( 0.499 0.000 -0.094) 0.508 20.882 ( -0.546 0.000 0.025) 0.547 20.883 ( -0.525 0.000 -0.018) 0.526 25.957 ( 1.933 0.000 1.023) 2.187 25.982 ( 2.621 0.000 -1.392) 2.968 26.514 ( -5.645 0.000 0.877) 5.713 26.530 ( -5.569 0.000 -0.577) 5.599 34.222 ( 51.436 0.000 7.285) 51.949 34.511 ( 73.435 0.000 -24.662) 77.466 37.305 ( -9.334 0.000 8.458) 12.596 37.491 ( -9.456 0.000 -9.115) 13.134 38.074 ( 3.370 0.000 0.244) 3.378 38.079 ( 3.378 0.000 -0.251) 3.387 38.509 ( -3.370 0.000 0.299) 3.383 38.516 ( -3.377 0.000 -0.292) 3.390 39.063 ( -1.929 0.000 11.467) 11.628 39.326 ( 2.683 0.000 -14.126) 14.378 40.222 ( -14.913 0.000 10.509) 18.244 40.428 ( -8.612 0.000 -11.062) 14.019 43.771 ( 30.051 0.000 2.311) 30.140 43.821 ( 33.363 0.000 -2.493) 33.456 46.346 ( -18.926 0.000 8.613) 20.794 46.494 ( -14.805 0.000 -6.437) 16.144 58.284 ( 54.578 0.000 5.859) 54.892 58.577 ( 82.508 0.000 -27.518) 86.976 64.214 ( -39.079 0.000 10.767) 40.535 64.441 ( -29.056 0.000 -10.757) 30.983 ======================= Grid point 212 (67/96) ======================= q-point: ( 0.33 0.00 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 16.881 0.000 6.101) 17.949 1.138 ( 13.024 0.000 -6.828) 14.706 1.948 ( -15.367 0.000 3.362) 15.731 2.030 ( -16.190 0.000 -4.603) 16.832 2.515 ( 21.454 0.000 28.284) 35.500 2.850 ( 0.198 0.000 2.536) 2.544 2.866 ( -0.585 0.000 0.991) 1.150 2.991 ( 22.313 0.000 -18.715) 29.122 3.333 ( -7.234 0.000 25.611) 26.613 3.403 ( 2.017 0.000 -0.159) 2.023 3.412 ( 1.462 0.000 -1.041) 1.795 3.574 ( 12.036 0.000 12.527) 17.372 3.828 ( -4.094 0.000 -0.277) 4.104 3.980 ( 8.097 0.000 1.121) 8.174 4.017 ( 7.447 0.000 -2.428) 7.832 4.163 ( 21.132 0.000 -17.580) 27.489 4.325 ( 4.400 0.000 2.613) 5.117 4.355 ( 6.122 0.000 2.416) 6.581 4.369 ( 1.614 0.000 -1.559) 2.244 4.556 ( -4.184 0.000 0.944) 4.289 4.572 ( -3.547 0.000 -0.689) 3.613 4.630 ( -3.538 0.000 0.686) 3.604 4.645 ( -1.362 0.000 -26.276) 26.312 4.649 ( -2.719 0.000 -1.085) 2.928 4.960 ( 7.040 0.000 9.035) 11.454 5.118 ( 10.233 0.000 -2.501) 10.534 5.222 ( -2.715 0.000 -1.736) 3.223 5.315 ( 1.181 0.000 -4.292) 4.451 5.671 ( 5.804 0.000 1.985) 6.135 5.748 ( 11.965 0.000 -5.047) 12.985 6.258 ( -6.807 0.000 4.205) 8.001 6.391 ( -0.747 0.000 -7.570) 7.607 6.809 ( -20.554 0.000 -0.026) 20.554 6.831 ( -14.542 0.000 -1.521) 14.622 7.241 ( 6.322 0.000 6.737) 9.238 7.367 ( 1.642 0.000 -3.820) 4.158 7.613 ( 9.247 0.000 7.498) 11.905 7.623 ( 1.078 0.000 1.108) 1.546 7.648 ( -0.023 0.000 -1.347) 1.347 7.753 ( 0.963 0.000 -4.749) 4.846 7.952 ( 0.143 0.000 1.458) 1.465 7.980 ( -1.068 0.000 -1.221) 1.622 8.258 ( -7.838 0.000 8.842) 11.816 8.341 ( -7.114 0.000 0.468) 7.129 8.807 ( 22.823 0.000 9.376) 24.674 9.033 ( 23.322 0.000 -13.285) 26.840 11.319 ( -50.926 0.000 10.737) 52.045 11.493 ( -49.346 0.000 -6.721) 49.801 16.099 ( 3.510 0.000 0.697) 3.579 16.128 ( 2.180 0.000 -2.077) 3.011 16.495 ( 7.467 0.000 1.043) 7.539 16.511 ( 6.263 0.000 -0.461) 6.280 17.787 ( 15.201 0.000 4.339) 15.808 17.875 ( 17.979 0.000 -3.689) 18.354 18.149 ( 10.386 0.000 13.079) 16.702 18.496 ( 3.258 0.000 -20.396) 20.655 20.828 ( 0.885 0.000 0.073) 0.888 20.829 ( 0.867 0.000 -0.083) 0.871 20.868 ( -0.918 0.000 0.047) 0.919 20.868 ( -0.898 0.000 -0.036) 0.899 26.024 ( 4.692 0.000 1.027) 4.803 26.056 ( 4.556 0.000 -2.096) 5.015 26.382 ( -7.001 0.000 1.436) 7.147 26.405 ( -6.678 0.000 -0.841) 6.731 35.344 ( 56.888 0.000 16.039) 59.106 35.802 ( 53.056 0.000 -29.565) 60.737 37.006 ( -21.649 0.000 9.372) 23.590 37.210 ( -19.347 0.000 -9.919) 21.742 38.166 ( 5.828 0.000 0.252) 5.834 38.171 ( 5.841 0.000 -0.264) 5.847 38.418 ( -5.827 0.000 0.292) 5.835 38.423 ( -5.841 0.000 -0.280) 5.848 39.070 ( 3.425 0.000 13.707) 14.129 39.336 ( -3.281 0.000 -10.260) 10.771 39.969 ( -7.248 0.000 6.452) 9.704 40.208 ( -12.622 0.000 -16.827) 21.035 44.457 ( 36.820 0.000 5.842) 37.280 44.581 ( 39.904 0.000 -6.399) 40.414 45.895 ( -25.606 0.000 11.482) 28.062 46.092 ( -25.606 0.000 -8.204) 26.888 59.612 ( 74.580 0.000 18.951) 76.950 60.227 ( 74.064 0.000 -43.714) 86.002 63.280 ( -50.604 0.000 15.231) 52.846 63.662 ( -47.640 0.000 -20.649) 51.923 ======================= Grid point 213 (68/96) ======================= q-point: (-0.50 0.00 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -5.320 0.000 0.498) 5.344 1.263 ( 5.320 0.000 0.498) 5.344 1.788 ( -4.073 0.000 -1.550) 4.358 1.788 ( 4.073 0.000 -1.550) 4.358 2.856 ( -0.452 0.000 1.762) 1.819 2.856 ( 0.452 0.000 1.762) 1.819 2.886 ( -19.050 0.000 21.856) 28.993 2.886 ( 19.050 0.000 21.856) 28.993 3.418 ( -14.879 0.000 -13.242) 19.918 3.418 ( 14.879 0.000 -13.242) 19.918 3.421 ( -0.228 0.000 -0.693) 0.730 3.421 ( 0.228 0.000 -0.693) 0.730 4.099 ( -1.489 0.000 -0.332) 1.525 4.099 ( 1.489 0.000 -0.332) 1.525 4.177 ( -18.265 0.000 13.476) 22.699 4.177 ( 18.265 0.000 13.476) 22.699 4.366 ( -0.611 0.000 -0.048) 0.613 4.366 ( 0.611 0.000 -0.048) 0.613 4.516 ( -11.317 0.000 -17.294) 20.668 4.516 ( 11.317 0.000 -17.294) 20.668 4.526 ( -1.682 0.000 1.258) 2.100 4.526 ( 1.682 0.000 1.258) 2.100 4.600 ( -1.469 0.000 -1.007) 1.781 4.600 ( 1.469 0.000 -1.007) 1.781 5.136 ( -7.128 0.000 1.828) 7.359 5.136 ( 7.128 0.000 1.828) 7.359 5.293 ( -4.348 0.000 -1.264) 4.528 5.293 ( 4.348 0.000 -1.264) 4.528 5.971 ( -18.255 0.000 4.679) 18.845 5.971 ( 18.255 0.000 4.679) 18.845 6.174 ( -23.507 0.000 -11.528) 26.181 6.174 ( 23.507 0.000 -11.528) 26.181 6.575 ( -5.993 0.000 0.422) 6.007 6.575 ( 5.993 0.000 0.422) 6.007 7.318 ( -3.046 0.000 2.416) 3.888 7.318 ( 3.046 0.000 2.416) 3.888 7.641 ( -0.711 0.000 -0.017) 0.711 7.641 ( 0.711 0.000 -0.017) 0.711 7.765 ( -2.376 0.000 2.092) 3.166 7.765 ( 2.376 0.000 2.092) 3.166 7.961 ( -0.774 0.000 0.016) 0.774 7.961 ( 0.774 0.000 0.016) 0.774 8.223 ( -3.758 0.000 1.855) 4.191 8.223 ( 3.758 0.000 1.855) 4.191 9.336 ( -12.930 0.000 -3.633) 13.430 9.336 ( 12.930 0.000 -3.633) 13.430 10.737 ( -10.875 0.000 2.924) 11.261 10.737 ( 10.875 0.000 2.924) 11.261 16.141 ( -0.790 0.000 -0.735) 1.079 16.141 ( 0.790 0.000 -0.735) 1.079 16.568 ( -0.318 0.000 0.410) 0.519 16.568 ( 0.318 0.000 0.410) 0.519 18.019 ( -5.704 0.000 5.967) 8.255 18.019 ( 5.704 0.000 5.967) 8.255 18.365 ( -13.077 0.000 -7.581) 15.115 18.365 ( 13.077 0.000 -7.581) 15.115 20.845 ( -0.220 0.000 -0.019) 0.221 20.845 ( 0.220 0.000 -0.019) 0.221 20.851 ( -0.200 0.000 0.019) 0.201 20.851 ( 0.200 0.000 0.019) 0.201 26.106 ( -1.679 0.000 -0.798) 1.859 26.106 ( 1.679 0.000 -0.798) 1.859 26.305 ( -1.450 0.000 0.542) 1.548 26.305 ( 1.450 0.000 0.542) 1.548 36.260 ( -29.023 0.000 7.207) 29.904 36.260 ( 29.023 0.000 7.207) 29.904 36.761 ( -20.878 0.000 -11.248) 23.715 36.761 ( 20.878 0.000 -11.248) 23.715 38.285 ( -2.111 0.000 0.003) 2.111 38.285 ( 2.111 0.000 0.003) 2.111 38.304 ( -2.126 0.000 -0.003) 2.126 38.304 ( 2.126 0.000 -0.003) 2.126 39.197 ( -8.728 0.000 7.003) 11.191 39.197 ( 8.728 0.000 7.003) 11.191 39.992 ( -8.028 0.000 -10.174) 12.960 39.992 ( 8.028 0.000 -10.174) 12.960 45.048 ( -11.912 0.000 3.077) 12.303 45.048 ( 11.912 0.000 3.077) 12.303 45.597 ( -13.948 0.000 -1.899) 14.077 45.597 ( 13.948 0.000 -1.899) 14.077 60.817 ( -30.576 0.000 2.110) 30.649 60.817 ( 30.576 0.000 2.110) 30.649 62.827 ( -22.426 0.000 -15.859) 27.467 62.827 ( 22.426 0.000 -15.859) 27.467 ======================= Grid point 217 (69/96) ======================= q-point: ( 0.00 0.07 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 10.497 15.853) 19.013 1.153 ( 0.000 38.700 5.971) 39.158 1.382 ( 0.000 38.281 -2.401) 38.356 1.545 ( 0.000 10.406 -8.260) 13.286 2.626 ( 0.000 20.403 3.226) 20.656 2.708 ( 0.000 20.638 -4.414) 21.105 2.801 ( 0.000 -2.003 34.556) 34.614 3.042 ( 0.000 17.632 3.384) 17.954 3.075 ( 0.000 17.132 0.686) 17.145 3.300 ( 0.000 -0.807 -11.600) 11.628 3.354 ( 0.000 7.253 -0.170) 7.255 3.357 ( 0.000 5.670 -6.133) 8.352 3.577 ( 0.000 0.257 31.220) 31.221 3.957 ( 0.000 11.583 -2.065) 11.766 4.021 ( 0.000 16.445 0.196) 16.446 4.253 ( 0.000 5.375 3.332) 6.324 4.320 ( 0.000 2.165 -2.413) 3.242 4.434 ( 0.000 9.766 -19.085) 21.438 4.544 ( 0.000 10.411 0.422) 10.419 4.671 ( 0.000 1.967 -15.118) 15.246 4.719 ( 0.000 2.737 -9.560) 9.944 4.728 ( 0.000 5.565 -1.542) 5.775 4.815 ( 0.000 8.001 -2.787) 8.473 4.853 ( 0.000 12.430 -4.465) 13.208 4.909 ( 0.000 6.238 1.342) 6.381 4.969 ( 0.000 3.507 -7.480) 8.261 5.293 ( 0.000 8.530 6.480) 10.712 5.472 ( 0.000 6.290 -10.147) 11.939 5.658 ( 0.000 4.706 6.967) 8.408 5.769 ( 0.000 4.790 -4.114) 6.314 6.294 ( 0.000 1.295 7.496) 7.607 6.414 ( 0.000 0.098 -2.436) 2.438 6.628 ( 0.000 -2.153 -0.184) 2.161 6.651 ( 0.000 -2.949 -0.987) 3.110 6.943 ( 0.000 -14.529 -0.289) 14.532 6.979 ( 0.000 -13.970 -3.271) 14.348 7.656 ( 0.000 -2.520 8.313) 8.687 7.787 ( 0.000 0.917 -4.099) 4.200 7.846 ( 0.000 6.735 4.889) 8.322 7.879 ( 0.000 -2.216 1.547) 2.703 7.987 ( 0.000 -1.410 -0.669) 1.561 8.041 ( 0.000 9.509 -6.019) 11.254 8.445 ( 0.000 -2.871 3.535) 4.554 8.455 ( 0.000 -2.706 2.595) 3.750 8.964 ( 0.000 2.316 24.733) 24.841 9.410 ( 0.000 -0.772 -18.253) 18.269 12.548 ( 0.000 -5.067 3.898) 6.392 12.654 ( 0.000 -6.600 -5.886) 8.844 15.909 ( 0.000 -1.046 0.402) 1.121 15.922 ( 0.000 -0.969 -0.894) 1.319 16.095 ( 0.000 -0.767 1.511) 1.695 16.120 ( 0.000 -0.811 -0.953) 1.251 17.373 ( 0.000 -1.835 0.787) 1.997 17.388 ( 0.000 -1.618 -0.638) 1.740 17.615 ( 0.000 -2.665 3.254) 4.206 17.685 ( 0.000 -2.912 -3.325) 4.420 20.881 ( 0.000 6.536 1.204) 6.646 20.926 ( 0.000 9.414 -3.759) 10.137 20.933 ( 0.000 4.329 0.003) 4.329 20.933 ( 0.000 4.520 -0.143) 4.522 25.929 ( 0.000 -1.262 0.673) 1.430 25.945 ( 0.000 -1.149 -0.891) 1.454 26.556 ( 0.000 -1.685 0.928) 1.923 26.573 ( 0.000 -1.611 -0.692) 1.754 33.574 ( 0.000 -1.392 3.329) 3.608 33.640 ( 0.000 -1.565 -2.992) 3.376 37.262 ( 0.000 -11.469 5.782) 12.844 37.366 ( 0.000 -17.392 -3.138) 17.673 38.085 ( 0.000 3.697 0.449) 3.724 38.093 ( 0.000 3.139 -0.112) 3.141 38.598 ( 0.000 4.501 0.152) 4.504 38.609 ( 0.000 5.419 -1.121) 5.534 39.051 ( 0.000 -3.839 8.047) 8.916 39.242 ( 0.000 -4.199 -10.474) 11.285 40.340 ( 0.000 -5.446 8.236) 9.874 40.451 ( 0.000 -5.864 -2.322) 6.307 43.446 ( 0.000 -0.406 0.267) 0.486 43.453 ( 0.000 -0.318 -0.375) 0.492 46.386 ( 0.000 -13.712 8.893) 16.343 46.536 ( 0.000 -9.777 -6.320) 11.642 57.575 ( 0.000 -5.241 3.317) 6.203 57.656 ( 0.000 -5.612 -4.390) 7.125 64.227 ( 0.000 -41.583 8.747) 42.493 64.314 ( 0.000 -30.026 -1.577) 30.068 ======================= Grid point 218 (70/96) ======================= q-point: ( 0.17 0.07 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 8.756 40.457 7.265) 42.026 1.406 ( 7.887 39.076 -7.419) 40.548 1.890 ( 45.138 5.271 17.805) 48.808 2.195 ( 47.366 2.599 -8.498) 48.193 2.473 ( -10.639 19.468 4.419) 22.621 2.570 ( -10.999 20.607 -4.834) 23.854 2.927 ( 13.677 -1.025 32.764) 35.519 3.048 ( 0.337 17.908 3.666) 18.283 3.077 ( 0.810 17.135 2.841) 17.387 3.420 ( 3.917 5.364 0.248) 6.646 3.451 ( 8.988 8.247 -0.286) 12.202 3.533 ( 15.843 -2.001 -7.261) 17.542 3.673 ( 10.422 -1.189 11.235) 15.370 3.953 ( -2.588 7.687 -1.173) 8.195 4.016 ( 1.380 12.592 -0.511) 12.678 4.182 ( -13.239 6.972 -2.906) 15.243 4.317 ( 4.194 6.609 1.348) 7.943 4.391 ( -3.204 6.968 0.812) 7.712 4.444 ( 0.155 10.382 -8.854) 13.645 4.605 ( -2.531 2.422 -25.469) 25.708 4.699 ( -1.742 5.071 0.886) 5.435 4.738 ( -0.876 7.843 -4.466) 9.068 4.788 ( -2.349 9.105 -1.229) 9.483 4.817 ( -2.123 10.717 -4.117) 11.676 4.997 ( 5.016 4.917 0.207) 7.027 5.051 ( 4.992 7.144 -3.893) 9.545 5.318 ( 2.415 7.734 2.102) 8.371 5.397 ( -5.239 6.823 -3.415) 9.255 5.678 ( 1.201 4.101 0.599) 4.315 5.706 ( -4.138 4.118 -1.908) 6.142 6.312 ( 0.026 0.630 5.622) 5.657 6.412 ( -1.145 0.082 -2.261) 2.536 6.826 ( 10.393 -5.273 -0.434) 11.662 6.843 ( 14.741 -3.962 -2.486) 15.465 6.930 ( 1.769 -11.776 0.432) 11.916 6.978 ( 3.809 -13.554 -2.756) 14.346 7.606 ( -5.672 -4.333 8.259) 10.916 7.726 ( -5.338 -5.542 -1.812) 7.905 7.845 ( 0.310 13.590 3.145) 13.953 7.885 ( 1.117 1.796 0.311) 2.138 7.980 ( -2.606 2.384 -1.587) 3.871 7.998 ( -2.433 5.357 -2.589) 6.428 8.415 ( -2.143 -1.655 4.435) 5.196 8.434 ( -3.005 -1.868 3.025) 4.654 8.757 ( -12.817 4.330 15.630) 20.672 9.019 ( -21.818 4.563 -8.828) 23.975 12.181 ( -37.485 -5.895 5.371) 38.324 12.287 ( -34.097 -5.671 -5.096) 34.939 15.992 ( 6.050 -1.174 1.681) 6.388 16.041 ( 5.610 -1.380 -3.006) 6.512 16.263 ( 12.364 -1.691 0.842) 12.507 16.284 ( 13.947 -2.451 -1.304) 14.221 17.490 ( 11.343 -1.797 1.534) 11.587 17.520 ( 12.873 -2.005 -1.263) 13.090 17.800 ( 15.960 -4.755 8.839) 18.853 18.044 ( 26.684 -9.083 -15.892) 32.359 20.883 ( 0.233 6.310 1.019) 6.396 20.919 ( -0.647 8.685 -2.812) 9.151 20.928 ( -0.466 4.398 0.018) 4.423 20.929 ( -0.436 4.465 -0.065) 4.487 25.947 ( 2.167 -0.965 0.992) 2.571 25.971 ( 2.740 -1.029 -1.364) 3.229 26.501 ( -5.265 -1.225 0.794) 5.463 26.516 ( -5.271 -1.278 -0.619) 5.459 34.170 ( 48.714 -4.805 5.995) 49.317 34.401 ( 68.225 -9.781 -19.047) 71.506 37.179 ( -8.929 -11.211 6.279) 15.647 37.296 ( -7.485 -16.144 -4.077) 18.256 38.118 ( 3.243 3.638 0.445) 4.894 38.125 ( 3.232 3.342 -0.116) 4.650 38.562 ( -3.630 4.272 0.070) 5.606 38.569 ( -3.921 5.095 -0.787) 6.478 39.024 ( -1.608 -3.425 10.847) 11.488 39.272 ( 2.172 -4.951 -13.139) 14.208 40.161 ( -15.377 -5.715 9.804) 19.111 40.342 ( -10.302 -7.822 -8.548) 15.505 43.759 ( 29.373 -1.137 2.270) 29.483 43.807 ( 32.391 -1.326 -2.312) 32.500 46.216 ( -16.187 -11.099 10.859) 22.430 46.396 ( -14.031 -9.041 -7.305) 18.220 58.187 ( 51.455 -9.106 4.505) 52.448 58.405 ( 74.316 -14.970 -19.714) 78.330 63.834 ( -36.383 -35.018 14.198) 52.455 64.060 ( -27.268 -32.733 -8.171) 43.379 ======================= Grid point 219 (71/96) ======================= q-point: ( 0.33 0.07 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 12.818 36.509 5.835) 39.131 1.593 ( 10.928 36.637 -6.157) 38.725 2.152 ( -14.596 18.573 4.115) 23.978 2.245 ( -13.748 19.250 -4.378) 24.057 2.543 ( 17.800 3.846 26.506) 32.159 2.966 ( 17.210 1.470 -13.962) 22.210 3.048 ( 0.203 17.712 2.428) 17.879 3.072 ( 2.355 16.082 -0.800) 16.273 3.289 ( -3.420 -0.810 23.065) 23.331 3.428 ( 9.558 1.085 7.188) 12.008 3.569 ( -0.691 9.321 1.141) 9.416 3.683 ( 3.520 10.674 3.744) 11.846 3.776 ( -1.475 0.270 -0.855) 1.726 3.998 ( 11.408 -1.466 -5.081) 12.575 4.142 ( 11.775 6.838 -2.305) 13.810 4.187 ( 11.275 9.101 -5.832) 15.620 4.356 ( 0.381 4.773 -3.568) 5.971 4.404 ( 0.857 3.004 -4.765) 5.698 4.495 ( 3.677 7.679 0.546) 8.531 4.602 ( -0.074 6.379 -7.881) 10.139 4.661 ( -1.948 9.414 1.257) 9.696 4.719 ( -0.419 8.060 -9.163) 12.210 4.740 ( -2.413 8.743 -0.533) 9.086 4.770 ( -2.633 11.163 -3.686) 12.047 5.095 ( 8.561 10.953 6.903) 15.521 5.195 ( 10.691 8.182 -0.467) 13.470 5.321 ( -2.067 9.234 -3.192) 9.986 5.379 ( 2.273 6.695 -4.008) 8.127 5.676 ( 3.391 1.098 2.026) 4.100 5.750 ( 9.467 0.556 -4.835) 10.644 6.249 ( -7.550 -0.780 4.244) 8.696 6.383 ( -2.038 -0.644 -7.807) 8.094 6.729 ( -14.840 -7.247 0.085) 16.515 6.749 ( -11.909 -6.712 -0.844) 13.697 7.117 ( 5.030 -7.552 4.261) 10.025 7.212 ( 3.531 -8.636 -4.011) 10.156 7.552 ( 6.774 -4.434 7.720) 11.187 7.676 ( 0.247 -6.159 -3.382) 7.031 7.836 ( -1.731 11.944 2.158) 12.260 7.856 ( -4.995 9.622 1.274) 10.916 7.965 ( 5.742 3.552 1.898) 7.013 8.022 ( 2.230 3.532 -2.558) 4.898 8.305 ( -6.714 4.900 5.799) 10.135 8.356 ( -5.347 2.135 0.860) 5.821 8.799 ( 20.351 -0.417 9.236) 22.353 9.022 ( 20.919 -0.743 -13.054) 24.669 11.257 ( -51.145 -5.951 10.680) 52.586 11.432 ( -49.612 -5.898 -6.797) 50.421 16.086 ( 3.483 -1.246 0.668) 3.759 16.115 ( 2.168 -1.272 -2.085) 3.266 16.471 ( 7.395 -2.291 1.026) 7.809 16.486 ( 6.405 -2.461 -0.302) 6.868 17.760 ( 14.645 -2.540 4.096) 15.417 17.844 ( 17.475 -2.910 -3.596) 18.077 18.074 ( 9.821 -6.721 11.709) 16.695 18.376 ( 4.801 -10.528 -17.267) 20.786 20.890 ( 0.471 5.727 0.600) 5.777 20.908 ( -0.353 6.956 -1.210) 7.069 20.916 ( -0.736 4.617 0.078) 4.676 20.918 ( -0.611 4.707 -0.101) 4.748 26.017 ( 4.815 -0.637 0.950) 4.949 26.048 ( 4.682 -0.795 -2.012) 5.158 26.373 ( -6.877 -0.820 1.356) 7.057 26.395 ( -6.572 -0.923 -0.816) 6.686 35.251 ( 55.753 -8.639 14.325) 58.209 35.659 ( 53.995 -13.351 -26.269) 61.513 36.886 ( -21.732 -10.984 8.075) 25.654 37.054 ( -17.873 -13.909 -7.530) 23.866 38.207 ( 5.697 3.545 0.446) 6.724 38.214 ( 5.726 3.648 -0.236) 6.794 38.464 ( -6.196 4.082 -0.026) 7.420 38.467 ( -6.149 4.147 -0.319) 7.424 39.033 ( 3.286 -3.416 12.730) 13.584 39.282 ( -2.669 -4.953 -10.043) 11.512 39.890 ( -8.696 -7.417 6.636) 13.216 40.102 ( -12.966 -9.703 -13.700) 21.212 44.433 ( 36.324 -2.279 5.541) 36.815 44.549 ( 39.388 -2.976 -5.880) 39.936 45.809 ( -24.207 -7.692 11.583) 27.916 46.009 ( -24.941 -7.672 -8.272) 27.374 59.454 ( 71.959 -14.716 16.030) 75.178 59.968 ( 73.988 -23.393 -36.329) 85.682 62.942 ( -49.912 -30.913 17.368) 61.224 63.307 ( -47.175 -32.179 -17.743) 59.798 ======================= Grid point 220 (72/96) ======================= q-point: (-0.50 0.07 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -6.849 36.081 1.888) 36.774 1.702 ( 6.849 36.081 1.888) 36.774 1.998 ( -6.201 19.130 -2.536) 20.269 1.998 ( 6.201 19.130 -2.536) 20.269 2.883 ( -18.060 1.011 21.724) 28.269 2.883 ( 18.060 1.011 21.724) 28.269 3.045 ( -0.554 16.435 1.594) 16.521 3.045 ( 0.554 16.435 1.594) 16.521 3.389 ( -13.162 -0.868 -9.902) 16.493 3.389 ( 13.162 -0.868 -9.902) 16.493 3.578 ( -2.807 12.110 -1.932) 12.580 3.578 ( 2.807 12.110 -1.932) 12.580 4.044 ( -8.207 -0.799 8.898) 12.131 4.044 ( 8.207 -0.799 8.898) 12.131 4.300 ( -4.757 7.203 -2.893) 9.104 4.300 ( 4.757 7.203 -2.893) 9.104 4.390 ( -6.568 1.879 -5.020) 8.478 4.390 ( 6.568 1.879 -5.020) 8.478 4.533 ( -5.596 5.726 -3.566) 8.764 4.533 ( 5.596 5.726 -3.566) 8.764 4.676 ( -3.003 11.574 -1.005) 11.999 4.676 ( 3.003 11.574 -1.005) 11.999 4.732 ( -0.985 11.552 -2.772) 11.920 4.732 ( 0.985 11.552 -2.772) 11.920 5.256 ( -5.403 11.057 2.626) 12.583 5.256 ( 5.403 11.057 2.626) 12.583 5.369 ( -3.654 7.931 -1.399) 8.844 5.369 ( 3.654 7.931 -1.399) 8.844 5.943 ( -17.345 -2.499 3.440) 17.858 5.943 ( 17.345 -2.499 3.440) 17.858 6.145 ( -21.036 -2.453 -10.806) 23.776 6.145 ( 21.036 -2.453 -10.806) 23.776 6.562 ( -4.122 -1.024 1.270) 4.433 6.562 ( 4.122 -1.024 1.270) 4.433 7.176 ( -2.753 -9.296 0.747) 9.724 7.176 ( 2.753 -9.296 0.747) 9.724 7.674 ( -2.540 -6.106 2.107) 6.941 7.674 ( 2.540 -6.106 2.107) 6.941 7.803 ( -1.429 8.348 1.248) 8.561 7.803 ( 1.429 8.348 1.248) 8.561 8.046 ( -0.720 6.086 0.611) 6.159 8.046 ( 0.720 6.086 0.611) 6.159 8.261 ( -2.662 5.280 1.132) 6.021 8.261 ( 2.662 5.280 1.132) 6.021 9.311 ( -12.978 -2.346 -3.442) 13.630 9.311 ( 12.978 -2.346 -3.442) 13.630 10.668 ( -11.051 -6.609 2.804) 13.178 10.668 ( 11.051 -6.609 2.804) 13.178 16.128 ( -0.783 -1.290 -0.751) 1.686 16.128 ( 0.783 -1.290 -0.751) 1.686 16.544 ( -0.298 -2.347 0.472) 2.412 16.544 ( 0.298 -2.347 0.472) 2.412 17.982 ( -5.556 -3.401 5.915) 8.799 17.982 ( 5.556 -3.401 5.915) 8.799 18.278 ( -11.907 -7.930 -7.278) 16.051 18.278 ( 11.907 -7.930 -7.278) 16.051 20.901 ( -0.699 5.126 0.234) 5.179 20.901 ( 0.699 5.126 0.234) 5.179 20.908 ( -0.317 5.427 -0.358) 5.448 20.908 ( 0.317 5.427 -0.358) 5.448 26.101 ( -1.606 -0.544 -0.817) 1.882 26.101 ( 1.606 -0.544 -0.817) 1.882 26.296 ( -1.393 -0.839 0.550) 1.716 26.296 ( 1.393 -0.839 0.550) 1.716 36.162 ( -29.080 -9.195 6.764) 31.241 36.162 ( 29.080 -9.195 6.764) 31.241 36.613 ( -21.304 -13.775 -10.470) 27.445 36.613 ( 21.304 -13.775 -10.470) 27.445 38.326 ( -2.451 3.661 0.001) 4.406 38.326 ( 2.451 3.661 0.001) 4.406 38.345 ( -2.290 3.818 -0.044) 4.452 38.345 ( 2.290 3.818 -0.044) 4.452 39.155 ( -8.356 -3.901 6.330) 11.185 39.155 ( 8.356 -3.901 6.330) 11.185 39.889 ( -7.326 -9.515 -8.530) 14.730 39.889 ( 7.326 -9.515 -8.530) 14.730 45.022 ( -12.218 -2.437 3.009) 12.817 45.022 ( 12.218 -2.437 3.009) 12.817 45.516 ( -14.478 -7.503 -1.815) 16.407 45.516 ( 14.478 -7.503 -1.815) 16.407 60.618 ( -27.844 -18.432 0.832) 33.402 60.618 ( 27.844 -18.432 0.832) 33.402 62.466 ( -22.142 -33.101 -11.321) 41.402 62.466 ( 22.142 -33.101 -11.321) 41.402 ======================= Grid point 224 (73/96) ======================= q-point: ( 0.00 0.14 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 15.049 14.104) 20.626 1.588 ( 0.000 11.952 -3.457) 12.442 2.152 ( 0.000 37.516 2.411) 37.594 2.239 ( 0.000 40.938 -5.517) 41.308 2.819 ( 0.000 5.608 29.747) 30.271 3.147 ( 0.000 26.637 1.906) 26.705 3.216 ( 0.000 23.760 -1.544) 23.810 3.250 ( 0.000 1.465 -8.241) 8.370 3.374 ( 0.000 7.718 1.616) 7.885 3.428 ( 0.000 9.329 -9.094) 13.028 3.585 ( 0.000 14.141 22.669) 26.719 3.639 ( 0.000 27.017 4.380) 27.370 3.724 ( 0.000 21.513 4.928) 22.070 4.206 ( 0.000 9.447 -11.124) 14.594 4.337 ( 0.000 -0.108 0.948) 0.954 4.356 ( 0.000 4.383 -0.567) 4.419 4.439 ( 0.000 20.161 -1.228) 20.199 4.612 ( 0.000 5.308 -17.231) 18.030 4.742 ( 0.000 5.465 4.755) 7.244 4.798 ( 0.000 11.481 -5.577) 12.764 4.889 ( 0.000 10.181 -6.564) 12.113 4.912 ( 0.000 14.584 -6.528) 15.978 4.968 ( 0.000 7.341 -0.747) 7.379 5.076 ( 0.000 9.317 -8.988) 12.946 5.103 ( 0.000 14.642 2.253) 14.814 5.177 ( 0.000 19.787 -2.140) 19.903 5.564 ( 0.000 16.579 3.339) 16.912 5.675 ( 0.000 12.989 -7.701) 15.101 5.807 ( 0.000 9.322 6.413) 11.315 5.923 ( 0.000 9.533 -5.020) 10.774 6.335 ( 0.000 2.315 6.177) 6.596 6.416 ( 0.000 -0.898 -1.112) 1.429 6.543 ( 0.000 -7.003 -0.639) 7.032 6.547 ( 0.000 -5.046 -0.465) 5.068 6.710 ( 0.000 -6.530 -1.768) 6.765 6.759 ( 0.000 -6.180 -5.414) 8.217 7.547 ( 0.000 -7.004 9.092) 11.477 7.633 ( 0.000 -9.114 0.999) 9.169 7.811 ( 0.000 -3.873 4.160) 5.684 7.906 ( 0.000 -3.577 -4.403) 5.674 8.105 ( 0.000 7.925 4.072) 8.910 8.195 ( 0.000 1.863 -3.569) 4.026 8.390 ( 0.000 -0.266 2.577) 2.591 8.395 ( 0.000 -1.973 2.086) 2.871 9.024 ( 0.000 3.331 20.530) 20.799 9.406 ( 0.000 0.366 -16.208) 16.212 12.404 ( 0.000 -8.710 2.912) 9.184 12.477 ( 0.000 -10.207 -3.783) 10.885 15.882 ( 0.000 -1.503 0.352) 1.544 15.895 ( 0.000 -1.531 -0.957) 1.806 16.073 ( 0.000 -1.359 1.441) 1.981 16.097 ( 0.000 -1.457 -0.866) 1.695 17.325 ( 0.000 -2.712 0.944) 2.872 17.343 ( 0.000 -2.616 -0.793) 2.734 17.556 ( 0.000 -2.906 2.345) 3.734 17.613 ( 0.000 -3.770 -2.982) 4.807 21.049 ( 0.000 9.211 2.467) 9.536 21.058 ( 0.000 7.694 0.008) 7.694 21.059 ( 0.000 7.811 0.120) 7.812 21.136 ( 0.000 9.891 -6.339) 11.748 25.895 ( 0.000 -1.854 0.749) 2.000 25.913 ( 0.000 -1.859 -0.937) 2.082 26.519 ( 0.000 -1.806 0.613) 1.907 26.534 ( 0.000 -2.050 -0.762) 2.187 33.535 ( 0.000 -2.293 3.060) 3.824 33.597 ( 0.000 -2.525 -2.890) 3.837 36.976 ( 0.000 -15.548 2.053) 15.682 36.983 ( 0.000 -18.684 2.353) 18.832 38.151 ( 0.000 2.421 1.649) 2.929 38.167 ( 0.000 3.980 -0.200) 3.985 38.717 ( 0.000 6.610 0.333) 6.619 38.726 ( 0.000 5.186 -0.560) 5.216 38.971 ( 0.000 -3.028 5.887) 6.620 39.129 ( 0.000 -6.377 -9.116) 11.125 40.184 ( 0.000 -9.472 7.059) 11.813 40.283 ( 0.000 -10.239 -2.326) 10.499 43.435 ( 0.000 -0.693 0.392) 0.796 43.444 ( 0.000 -0.559 -0.478) 0.736 46.086 ( 0.000 -14.268 11.642) 18.415 46.283 ( 0.000 -13.960 -7.906) 16.043 57.424 ( 0.000 -9.172 2.926) 9.628 57.496 ( 0.000 -9.649 -3.973) 10.435 63.263 ( 0.000 -49.035 17.731) 52.142 63.519 ( 0.000 -44.843 -8.386) 45.620 ======================= Grid point 225 (74/96) ======================= q-point: ( 0.17 0.14 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 31.570 18.313 12.329) 38.523 2.085 ( 27.942 21.179 5.926) 35.559 2.272 ( 7.891 33.372 -2.015) 34.351 2.380 ( 29.069 21.819 -7.303) 37.073 2.892 ( 4.145 12.776 19.715) 23.856 3.012 ( -4.347 18.631 9.018) 21.150 3.086 ( -8.667 24.711 0.179) 26.187 3.381 ( 11.107 3.302 -4.918) 12.588 3.483 ( 6.480 15.018 4.303) 16.913 3.555 ( -0.984 14.552 11.168) 18.370 3.591 ( 11.494 8.921 -1.733) 14.653 3.671 ( 5.053 17.351 -1.298) 18.118 3.768 ( 2.287 16.246 2.928) 16.665 4.088 ( -12.398 5.000 -9.250) 16.257 4.306 ( -1.194 9.074 1.643) 9.299 4.374 ( 1.731 10.220 0.241) 10.368 4.472 ( 1.393 9.280 -2.671) 9.757 4.532 ( -3.951 4.727 -3.130) 6.911 4.668 ( 0.573 13.502 -13.576) 19.156 4.746 ( -6.303 9.925 -12.461) 17.132 4.878 ( 1.683 10.574 3.106) 11.148 4.951 ( 0.402 13.925 -4.090) 14.519 5.055 ( 2.109 16.248 4.950) 17.116 5.085 ( 3.602 14.862 -4.742) 16.011 5.143 ( 2.060 9.712 -1.817) 10.093 5.217 ( 5.792 11.665 -4.642) 13.826 5.555 ( -1.015 13.913 2.944) 14.257 5.617 ( -3.060 13.863 -3.207) 14.555 5.826 ( 0.243 10.488 0.267) 10.494 5.861 ( -4.622 10.917 -2.508) 12.117 6.341 ( -1.710 2.497 5.412) 6.201 6.425 ( -0.701 1.534 -1.177) 2.057 6.599 ( 0.972 -11.919 -0.018) 11.959 6.637 ( 4.400 -12.376 -3.710) 13.649 6.820 ( 12.165 -2.624 -1.373) 12.520 6.838 ( 12.052 -2.958 -3.135) 12.799 7.484 ( -6.099 -6.927 7.700) 12.020 7.569 ( -4.547 -8.422 0.266) 9.575 7.825 ( 1.444 -4.071 5.190) 6.752 7.928 ( 2.415 -3.583 -3.933) 5.843 8.108 ( 0.002 7.248 2.367) 7.624 8.145 ( -3.845 2.381 -0.325) 4.534 8.387 ( -0.252 -0.602 2.955) 3.026 8.405 ( 2.014 0.931 0.900) 2.394 8.874 ( -10.822 6.671 14.527) 19.305 9.143 ( -18.056 6.818 -11.328) 22.379 12.018 ( -37.791 -9.621 5.497) 39.382 12.125 ( -34.029 -9.773 -5.028) 35.760 15.959 ( 5.781 -1.896 1.386) 6.240 16.002 ( 5.904 -2.262 -2.771) 6.903 16.215 ( 10.591 -2.858 0.510) 10.981 16.221 ( 12.142 -3.502 0.008) 12.637 17.440 ( 10.770 -2.981 1.191) 11.239 17.463 ( 11.931 -3.327 -1.033) 12.430 17.688 ( 12.162 -5.525 6.351) 14.791 17.848 ( 18.800 -9.109 -9.240) 22.843 21.047 ( -0.182 9.086 2.091) 9.325 21.055 ( -0.274 7.747 0.008) 7.751 21.056 ( -0.303 7.865 0.093) 7.871 21.118 ( -1.698 9.750 -4.917) 11.051 25.921 ( 2.691 -1.503 0.864) 3.201 25.943 ( 3.047 -1.666 -1.262) 3.695 26.471 ( -4.714 -1.537 0.537) 4.987 26.483 ( -4.704 -1.713 -0.630) 5.046 34.043 ( 42.232 -7.206 3.508) 42.985 34.168 ( 55.355 -11.749 -9.588) 57.394 36.895 ( -8.801 -15.637 2.937) 18.182 36.928 ( -6.264 -18.553 0.624) 19.592 38.186 ( 3.563 2.629 1.622) 4.716 38.203 ( 3.585 4.078 -0.236) 5.435 38.673 ( -4.133 5.880 0.466) 7.202 38.688 ( -3.999 6.026 -0.964) 7.296 38.947 ( -1.583 -3.229 8.003) 8.774 39.144 ( 1.146 -7.002 -10.713) 12.849 40.000 ( -16.254 -9.690 8.142) 20.600 40.136 ( -13.227 -11.706 -5.213) 18.416 43.728 ( 27.633 -1.791 2.075) 27.768 43.771 ( 30.042 -2.097 -1.978) 30.180 45.961 ( -12.519 -12.724 11.547) 21.259 46.160 ( -12.498 -13.155 -8.090) 19.867 57.935 ( 44.690 -14.777 2.623) 47.143 58.049 ( 57.078 -18.242 -9.203) 60.625 62.955 ( -30.658 -46.846 18.235) 58.881 63.240 ( -27.988 -45.162 -10.293) 54.119 ======================= Grid point 226 (75/96) ======================= q-point: ( 0.33 0.14 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 9.449 33.174 7.235) 35.243 2.365 ( 7.863 33.786 -6.403) 35.275 2.575 ( 12.825 13.097 19.966) 27.105 2.672 ( -6.825 26.341 5.317) 27.725 2.833 ( -10.426 26.539 -1.701) 28.565 3.010 ( 14.874 4.277 -11.376) 19.208 3.293 ( -6.715 5.012 24.782) 26.160 3.470 ( 10.894 5.976 10.147) 16.042 3.479 ( -3.234 17.884 1.849) 18.268 3.548 ( 6.017 21.755 2.347) 22.693 3.720 ( -7.115 13.069 -0.360) 14.885 3.877 ( -4.197 8.638 -9.302) 13.370 3.937 ( 16.020 10.368 -0.230) 19.083 3.973 ( 19.740 1.443 -2.836) 19.995 4.291 ( 0.409 7.206 -4.617) 8.568 4.387 ( -4.365 1.442 -12.694) 13.500 4.504 ( 8.291 15.037 1.250) 17.217 4.579 ( 2.076 15.414 -5.661) 16.551 4.641 ( -1.112 7.125 0.142) 7.213 4.725 ( -0.979 4.086 -9.764) 10.629 4.925 ( 3.932 14.591 1.322) 15.169 4.959 ( 1.417 15.592 -1.776) 15.757 5.055 ( -0.279 22.894 3.738) 23.198 5.109 ( -1.111 21.545 -2.514) 21.719 5.301 ( 15.794 7.369 3.689) 17.815 5.413 ( 13.820 8.773 -4.913) 17.091 5.537 ( 0.155 11.777 2.119) 11.967 5.610 ( 2.028 14.162 -5.472) 15.317 5.776 ( -2.934 10.459 1.488) 10.964 5.818 ( 0.814 8.041 -2.544) 8.473 6.234 ( -9.801 -0.164 4.553) 10.808 6.375 ( -6.191 0.186 -8.889) 10.834 6.572 ( -2.688 -6.511 1.966) 7.313 6.614 ( -4.233 -5.282 -0.955) 6.836 6.982 ( 0.952 -5.815 2.524) 6.410 7.060 ( 1.483 -6.578 -4.263) 7.978 7.443 ( 6.703 -5.761 6.355) 10.886 7.536 ( 0.925 -7.046 -2.180) 7.433 7.830 ( -1.767 -5.040 8.252) 9.830 7.940 ( -2.738 -2.707 -1.509) 4.135 8.124 ( 1.326 5.297 1.068) 5.564 8.142 ( 3.838 6.563 -1.036) 7.673 8.436 ( 5.098 5.860 3.007) 8.329 8.464 ( 2.181 7.870 -0.024) 8.166 8.818 ( 11.005 3.276 8.679) 14.394 9.028 ( 11.640 2.153 -12.151) 16.964 11.087 ( -51.999 -10.215 10.315) 53.987 11.261 ( -50.433 -10.443 -6.882) 51.961 16.051 ( 3.381 -2.107 0.588) 4.027 16.079 ( 2.132 -2.189 -2.071) 3.691 16.404 ( 7.035 -4.197 0.978) 8.250 16.414 ( 6.517 -4.427 0.060) 7.879 17.690 ( 13.283 -4.101 3.400) 14.311 17.762 ( 16.406 -4.858 -3.420) 17.449 17.908 ( 7.873 -8.582 9.025) 14.734 18.125 ( 6.308 -12.691 -11.722) 18.392 21.043 ( -0.187 8.735 1.213) 8.821 21.048 ( -0.398 8.012 0.141) 8.023 21.051 ( -0.086 8.024 -0.115) 8.025 21.081 ( -1.775 9.247 -2.383) 9.712 26.000 ( 5.169 -0.987 0.757) 5.317 26.026 ( 5.054 -1.253 -1.777) 5.502 26.352 ( -6.679 -1.213 1.147) 6.884 26.371 ( -6.410 -1.401 -0.725) 6.601 35.018 ( 52.408 -13.317 10.314) 55.049 35.304 ( 53.974 -19.817 -18.004) 60.250 36.597 ( -22.520 -16.229 5.675) 28.333 36.707 ( -17.360 -18.742 -4.374) 25.918 38.285 ( 6.357 3.508 1.324) 7.381 38.301 ( 6.257 4.509 -0.389) 7.722 38.569 ( -6.220 5.826 0.003) 8.522 38.576 ( -7.085 5.976 -0.675) 9.293 38.949 ( 2.549 -4.176 9.971) 11.107 39.153 ( -1.372 -7.120 -9.024) 11.577 39.688 ( -12.003 -11.643 6.742) 18.030 39.850 ( -14.322 -13.915 -8.651) 21.762 44.369 ( 34.922 -3.732 4.743) 35.440 44.467 ( 37.694 -4.787 -4.723) 38.290 45.618 ( -21.884 -10.144 10.492) 26.304 45.806 ( -23.379 -11.449 -7.858) 27.192 59.058 ( 65.387 -22.639 10.404) 69.973 59.380 ( 70.088 -31.347 -22.015) 79.873 62.144 ( -48.601 -43.861 18.435) 68.013 62.476 ( -48.302 -46.063 -14.233) 68.246 ======================= Grid point 227 (76/96) ======================= q-point: (-0.50 0.14 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -8.595 26.596 4.963) 28.387 2.408 ( 8.595 26.596 4.963) 28.387 2.585 ( -8.373 38.493 -4.997) 39.708 2.585 ( 8.373 38.493 -4.997) 39.708 2.944 ( -17.416 5.089 22.968) 29.270 2.944 ( 17.416 5.089 22.968) 29.270 3.284 ( -11.903 3.106 -7.000) 14.153 3.284 ( 11.903 3.106 -7.000) 14.153 3.604 ( -3.352 24.072 1.839) 24.374 3.604 ( 3.352 24.072 1.839) 24.374 3.782 ( -8.235 7.350 0.037) 11.038 3.782 ( 8.235 7.350 0.037) 11.038 4.128 ( -2.051 8.302 5.202) 10.010 4.128 ( 2.051 8.302 5.202) 10.010 4.353 ( -1.976 1.075 -16.304) 16.459 4.353 ( 1.976 1.075 -16.304) 16.459 4.577 ( -1.771 11.804 1.828) 12.075 4.577 ( 1.771 11.804 1.828) 12.075 4.658 ( -3.856 8.221 -4.655) 10.204 4.658 ( 3.856 8.221 -4.655) 10.204 4.984 ( -0.715 16.124 0.977) 16.169 4.984 ( 0.715 16.124 0.977) 16.169 5.069 ( -2.295 22.323 -0.006) 22.440 5.069 ( 2.295 22.323 -0.006) 22.440 5.536 ( -1.924 14.477 3.074) 14.924 5.536 ( 1.924 14.477 3.074) 14.924 5.617 ( -2.737 14.535 -2.724) 15.040 5.617 ( 2.737 14.535 -2.724) 15.040 5.898 ( -14.611 -0.138 2.474) 14.820 5.898 ( 14.611 -0.138 2.474) 14.820 6.095 ( -17.193 -1.843 -9.053) 19.518 6.095 ( 17.193 -1.843 -9.053) 19.518 6.552 ( -1.398 0.811 2.518) 2.992 6.552 ( 1.398 0.811 2.518) 2.992 6.996 ( -2.825 -8.182 -0.781) 8.692 6.996 ( 2.825 -8.182 -0.781) 8.692 7.545 ( -1.634 -5.990 1.532) 6.395 7.545 ( 1.634 -5.990 1.532) 6.395 7.851 ( -4.712 -3.238 2.479) 6.232 7.851 ( 4.712 -3.238 2.479) 6.232 8.164 ( -1.494 4.908 1.013) 5.229 8.164 ( 1.494 4.908 1.013) 5.229 8.475 ( -0.112 13.601 0.153) 13.603 8.475 ( 0.112 13.601 0.153) 13.603 9.252 ( -13.133 -2.961 -2.782) 13.747 9.252 ( 13.133 -2.961 -2.782) 13.747 10.476 ( -11.494 -11.818 2.407) 16.661 10.476 ( 11.494 -11.818 2.407) 16.661 16.091 ( -0.753 -2.215 -0.777) 2.465 16.091 ( 0.753 -2.215 -0.777) 2.465 16.474 ( -0.249 -4.428 0.606) 4.477 16.474 ( 0.249 -4.428 0.606) 4.477 17.890 ( -5.305 -5.389 5.803) 9.531 17.890 ( 5.305 -5.389 5.803) 9.531 18.078 ( -9.666 -10.643 -6.733) 15.876 18.078 ( 9.666 -10.643 -6.733) 15.876 21.042 ( -0.140 8.330 0.478) 8.345 21.042 ( 0.140 8.330 0.478) 8.345 21.056 ( -0.726 8.542 -0.757) 8.606 21.056 ( 0.726 8.542 -0.757) 8.606 26.087 ( -1.416 -0.760 -0.850) 1.818 26.087 ( 1.416 -0.760 -0.850) 1.818 26.273 ( -1.240 -1.384 0.567) 1.943 26.273 ( 1.240 -1.384 0.567) 1.943 35.909 ( -29.256 -14.692 5.547) 33.204 35.909 ( 29.256 -14.692 5.547) 33.204 36.244 ( -23.324 -20.947 -8.320) 32.435 36.244 ( 23.324 -20.947 -8.320) 32.435 38.416 ( -2.870 4.623 0.043) 5.441 38.416 ( 2.870 4.623 0.043) 5.441 38.446 ( -2.255 5.704 -0.051) 6.134 38.446 ( 2.255 5.704 -0.051) 6.134 39.054 ( -7.331 -5.441 4.869) 10.346 39.054 ( 7.331 -5.441 4.869) 10.346 39.635 ( -6.125 -14.360 -5.429) 16.529 39.635 ( 6.125 -14.360 -5.429) 16.529 44.953 ( -13.071 -4.170 2.820) 14.007 44.953 ( 13.071 -4.170 2.820) 14.007 45.319 ( -15.461 -10.912 -1.761) 19.006 45.319 ( 15.461 -10.912 -1.761) 19.006 60.126 ( -21.790 -27.845 -1.132) 35.375 60.126 ( 21.790 -27.845 -1.132) 35.375 61.604 ( -20.935 -47.651 -3.763) 52.183 61.604 ( 20.935 -47.651 -3.763) 52.183 ======================= Grid point 231 (77/96) ======================= q-point: ( 0.00 0.21 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 18.837 8.207) 20.547 1.855 ( 0.000 14.372 -1.761) 14.480 2.680 ( 0.000 13.106 19.024) 23.101 2.950 ( 0.000 23.786 -8.745) 25.343 3.141 ( 0.000 22.587 6.258) 23.438 3.286 ( 0.000 8.764 -5.104) 10.142 3.404 ( 0.000 5.492 14.431) 15.441 3.555 ( 0.000 8.563 -6.907) 11.001 3.598 ( 0.000 8.785 4.870) 10.045 3.709 ( 0.000 17.774 -3.615) 18.138 4.034 ( 0.000 29.980 7.134) 30.817 4.242 ( 0.000 22.508 6.400) 23.400 4.298 ( 0.000 -2.983 4.163) 5.122 4.319 ( 0.000 8.387 -3.566) 9.114 4.337 ( 0.000 31.778 -0.073) 31.778 4.479 ( 0.000 8.278 -17.125) 19.020 4.727 ( 0.000 9.603 -1.231) 9.682 4.742 ( 0.000 6.467 0.723) 6.508 4.808 ( 0.000 6.201 0.566) 6.227 4.899 ( 0.000 0.129 -5.254) 5.256 5.142 ( 0.000 9.311 2.902) 9.753 5.191 ( 0.000 17.981 -3.901) 18.399 5.198 ( 0.000 7.001 -7.670) 10.384 5.337 ( 0.000 20.202 -8.859) 22.059 5.607 ( 0.000 30.082 4.623) 30.435 5.702 ( 0.000 29.787 -2.348) 29.880 5.882 ( 0.000 10.919 5.786) 12.358 5.955 ( 0.000 12.775 -4.394) 13.509 6.007 ( 0.000 10.742 1.309) 10.821 6.094 ( 0.000 5.787 -4.247) 7.178 6.282 ( 0.000 -7.403 -0.508) 7.420 6.296 ( 0.000 -7.761 -2.244) 8.079 6.528 ( 0.000 5.705 0.150) 5.707 6.578 ( 0.000 5.527 -2.490) 6.062 6.658 ( 0.000 2.264 1.030) 2.488 6.719 ( 0.000 2.895 -4.012) 4.947 7.410 ( 0.000 -5.420 7.321) 9.109 7.469 ( 0.000 -5.939 1.551) 6.138 7.736 ( 0.000 -3.029 4.565) 5.479 7.825 ( 0.000 -3.640 -3.405) 4.985 8.109 ( 0.000 -7.228 2.781) 7.745 8.128 ( 0.000 -4.237 0.408) 4.257 8.415 ( 0.000 2.399 2.213) 3.264 8.439 ( 0.000 2.384 0.253) 2.397 9.091 ( 0.000 2.909 16.471) 16.726 9.412 ( 0.000 -0.228 -14.389) 14.391 12.206 ( 0.000 -10.235 1.886) 10.407 12.252 ( 0.000 -11.446 -2.337) 11.682 15.851 ( 0.000 -1.456 0.222) 1.473 15.863 ( 0.000 -1.553 -0.927) 1.808 16.042 ( 0.000 -1.701 1.313) 2.149 16.062 ( 0.000 -1.852 -0.729) 1.990 17.268 ( 0.000 -2.670 0.821) 2.793 17.287 ( 0.000 -2.740 -0.888) 2.880 17.499 ( 0.000 -2.621 1.495) 3.017 17.538 ( 0.000 -3.392 -2.214) 4.051 21.235 ( 0.000 9.329 0.573) 9.346 21.237 ( 0.000 9.469 -0.000) 9.469 21.244 ( 0.000 9.292 1.976) 9.499 21.318 ( 0.000 7.897 -4.956) 9.323 25.857 ( 0.000 -1.837 0.636) 1.944 25.873 ( 0.000 -1.972 -0.882) 2.161 26.486 ( 0.000 -1.394 0.228) 1.412 26.495 ( 0.000 -1.659 -0.603) 1.766 33.484 ( 0.000 -2.639 2.698) 3.774 33.540 ( 0.000 -3.011 -2.682) 4.032 36.623 ( 0.000 -16.286 3.212) 16.599 36.654 ( 0.000 -15.428 -0.170) 15.429 38.187 ( 0.000 0.957 3.515) 3.643 38.239 ( 0.000 2.753 -1.590) 3.179 38.779 ( 0.000 -0.255 3.025) 3.036 38.841 ( 0.000 3.953 -2.164) 4.506 38.976 ( 0.000 3.944 0.081) 3.945 39.014 ( 0.000 -3.116 -4.165) 5.202 39.967 ( 0.000 -11.341 5.481) 12.596 40.048 ( 0.000 -12.295 -2.213) 12.493 43.419 ( 0.000 -0.792 0.530) 0.953 43.431 ( 0.000 -0.689 -0.587) 0.905 45.821 ( 0.000 -11.527 9.468) 14.917 45.995 ( 0.000 -13.642 -7.366) 15.504 57.213 ( 0.000 -11.096 2.491) 11.372 57.274 ( 0.000 -11.668 -3.396) 12.153 62.292 ( 0.000 -44.856 16.199) 47.691 62.570 ( 0.000 -46.137 -10.831) 47.391 ======================= Grid point 232 (78/96) ======================= q-point: ( 0.17 0.21 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 37.791 15.620 9.406) 41.960 2.377 ( 36.965 12.003 5.173) 39.208 2.733 ( 5.743 12.792 12.590) 18.845 2.992 ( 4.926 25.065 -8.152) 26.814 3.222 ( 8.444 20.719 6.306) 23.245 3.339 ( 0.946 7.048 4.936) 8.657 3.429 ( 0.420 9.434 0.953) 9.491 3.450 ( 4.470 9.845 -1.281) 10.888 3.685 ( 4.788 6.514 1.978) 8.323 3.785 ( 6.299 11.562 -3.109) 13.528 3.967 ( -6.250 25.475 3.194) 26.424 4.127 ( -11.955 17.209 5.352) 21.627 4.248 ( -3.168 15.426 -3.588) 16.152 4.290 ( -2.043 21.762 -3.275) 22.101 4.376 ( 4.363 3.940 3.250) 6.717 4.528 ( 1.482 4.095 -10.670) 11.524 4.627 ( -2.617 14.265 1.493) 14.579 4.727 ( 2.781 13.056 -5.552) 14.457 4.903 ( 3.981 8.471 -1.418) 9.466 4.939 ( -0.161 8.758 -4.692) 9.937 5.164 ( 3.147 13.039 6.436) 14.877 5.216 ( 2.218 6.071 -2.919) 7.092 5.234 ( 5.121 7.616 -6.536) 11.267 5.333 ( -0.349 19.058 -8.552) 20.892 5.609 ( 0.115 29.577 4.962) 29.990 5.700 ( -0.895 29.105 -2.020) 29.188 5.798 ( -3.653 8.909 5.064) 10.880 5.897 ( -3.408 11.020 -5.196) 12.651 6.064 ( 0.591 10.413 0.155) 10.431 6.111 ( 0.102 12.487 -3.134) 12.875 6.368 ( 7.237 -7.324 0.687) 10.319 6.399 ( 8.146 -4.201 0.858) 9.205 6.460 ( -4.772 3.529 0.642) 5.970 6.538 ( -3.593 6.685 -4.052) 8.604 6.784 ( 10.592 -0.363 -1.037) 10.649 6.807 ( 8.003 0.824 -2.858) 8.538 7.355 ( -5.056 -4.670 6.088) 9.189 7.417 ( -3.439 -5.531 0.672) 6.548 7.743 ( 0.318 -3.461 5.434) 6.450 7.843 ( 1.645 -4.183 -3.495) 5.694 8.080 ( -0.950 -5.370 4.993) 7.394 8.141 ( 1.594 -3.694 -1.835) 4.422 8.414 ( 0.358 2.028 3.174) 3.783 8.453 ( 1.801 1.876 -0.482) 2.645 9.010 ( -6.209 6.028 12.829) 15.475 9.266 ( -11.405 4.476 -11.810) 17.017 11.805 ( -38.373 -10.774 4.952) 40.163 11.903 ( -34.492 -11.524 -4.558) 36.650 15.918 ( 5.273 -1.972 1.045) 5.726 15.953 ( 5.805 -2.390 -2.343) 6.701 16.147 ( 9.171 -3.584 0.677) 9.869 16.151 ( 8.164 -3.340 0.265) 8.825 17.375 ( 10.007 -3.154 0.771) 10.521 17.392 ( 10.419 -3.419 -0.825) 10.996 17.588 ( 8.604 -4.195 4.155) 10.435 17.687 ( 12.282 -6.579 -5.419) 14.949 21.233 ( -0.203 9.345 0.389) 9.355 21.235 ( -0.203 9.457 0.070) 9.460 21.241 ( -0.315 9.315 1.703) 9.475 21.303 ( -1.479 8.217 -4.040) 9.275 25.889 ( 3.263 -1.533 0.661) 3.666 25.907 ( 3.445 -1.761 -1.068) 4.014 26.441 ( -4.435 -1.303 0.287) 4.632 26.450 ( -4.317 -1.488 -0.520) 4.596 33.890 ( 35.413 -7.375 1.870) 36.221 33.949 ( 41.461 -9.292 -4.059) 42.683 36.563 ( -6.780 -16.729 1.691) 18.130 36.568 ( -9.317 -15.754 0.782) 18.320 38.221 ( 3.613 0.622 3.657) 5.178 38.275 ( 3.691 2.610 -1.623) 4.803 38.751 ( -2.554 1.132 2.610) 3.823 38.806 ( -3.658 4.500 -2.153) 6.186 38.937 ( -3.173 2.879 2.039) 4.745 39.017 ( 0.052 -3.909 -5.737) 6.942 39.781 ( -16.734 -11.273 6.219) 21.114 39.882 ( -14.997 -12.787 -3.497) 20.016 43.690 ( 25.473 -1.924 1.743) 25.605 43.725 ( 27.238 -2.283 -1.643) 27.383 45.718 ( -10.549 -10.814 9.107) 17.640 45.886 ( -11.098 -13.017 -7.207) 18.562 57.612 ( 37.648 -16.076 2.494) 41.012 57.689 ( 42.090 -16.750 -5.113) 45.588 62.011 ( -28.291 -44.113 15.988) 54.790 62.290 ( -28.138 -45.992 -11.167) 55.061 ======================= Grid point 233 (79/96) ======================= q-point: ( 0.33 0.21 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 12.582 15.929 10.009) 22.632 2.815 ( 11.964 12.807 24.468) 30.097 2.874 ( 5.162 16.259 -3.821) 17.481 3.137 ( 6.000 9.606 -6.591) 13.104 3.234 ( -4.412 18.212 3.088) 18.991 3.248 ( -5.554 12.511 1.863) 13.815 3.566 ( -13.662 17.779 10.785) 24.881 3.632 ( 13.739 8.395 4.977) 16.852 3.769 ( -9.946 22.015 0.057) 24.158 3.818 ( 11.086 5.187 -5.681) 13.494 4.013 ( 17.750 6.725 0.113) 18.982 4.109 ( 10.325 11.242 -4.940) 16.043 4.212 ( 0.211 21.997 -0.262) 22.000 4.288 ( 3.513 22.338 -2.988) 22.809 4.403 ( -0.928 7.165 -6.549) 9.751 4.464 ( -4.096 8.474 -12.245) 15.444 4.712 ( 5.214 9.984 6.192) 12.853 4.789 ( -3.272 6.944 -1.022) 7.744 4.932 ( 3.729 17.090 -3.120) 17.768 4.947 ( 1.887 16.147 -5.626) 17.203 5.222 ( 2.986 14.012 2.183) 14.492 5.314 ( -0.416 15.812 -6.130) 16.964 5.377 ( 15.350 2.873 2.918) 15.887 5.454 ( 17.179 3.450 -3.977) 17.967 5.612 ( 1.052 27.541 2.968) 27.720 5.648 ( -3.316 21.250 0.825) 21.523 5.792 ( 1.915 14.944 1.364) 15.127 5.862 ( -0.501 9.506 -5.358) 10.923 6.029 ( -2.702 10.013 2.063) 10.574 6.083 ( -2.227 13.930 -3.179) 14.461 6.290 ( -10.787 7.656 4.402) 13.942 6.393 ( -9.697 1.811 -6.676) 11.911 6.516 ( 6.287 1.862 3.482) 7.424 6.591 ( 6.634 4.359 -2.226) 8.245 6.879 ( -2.685 -3.841 1.307) 4.865 6.945 ( -0.268 -4.000 -4.468) 6.003 7.338 ( 7.545 -3.761 5.266) 9.940 7.407 ( 2.272 -4.800 -1.163) 5.436 7.713 ( -3.165 -5.495 8.369) 10.500 7.835 ( -3.523 -6.361 -2.687) 7.752 8.162 ( 5.844 -0.654 2.878) 6.547 8.215 ( 5.340 0.617 -2.271) 5.835 8.499 ( 12.523 0.144 4.525) 13.316 8.572 ( 11.736 1.917 -2.929) 12.247 8.946 ( 2.345 8.017 7.562) 11.268 9.122 ( 0.494 6.074 -9.693) 11.450 10.857 ( -53.624 -11.720 9.320) 55.675 11.021 ( -51.769 -12.560 -6.663) 53.686 16.004 ( 3.165 -2.342 0.477) 3.967 16.029 ( 2.057 -2.503 -1.954) 3.784 16.305 ( 6.152 -5.284 0.896) 8.159 16.311 ( 6.023 -5.460 0.376) 8.138 17.601 ( 11.631 -4.340 2.297) 12.625 17.651 ( 14.293 -5.714 -2.439) 15.585 17.754 ( 6.080 -6.182 5.918) 10.498 17.892 ( 6.005 -9.750 -7.236) 13.546 21.229 ( -0.183 9.399 0.289) 9.405 21.232 ( -0.047 9.423 0.101) 9.424 21.234 ( -0.290 9.352 0.836) 9.394 21.269 ( -1.774 8.829 -2.190) 9.268 25.979 ( 5.708 -0.955 0.526) 5.811 26.000 ( 5.625 -1.261 -1.429) 5.939 26.327 ( -6.645 -1.189 0.869) 6.807 26.341 ( -6.415 -1.423 -0.562) 6.595 34.737 ( 47.551 -13.531 6.254) 49.833 34.902 ( 50.181 -18.510 -9.865) 54.388 36.254 ( -23.700 -16.650 3.528) 29.178 36.321 ( -19.190 -18.381 -2.624) 26.702 38.332 ( 7.693 0.659 3.321) 8.405 38.381 ( 7.019 2.753 -1.558) 7.699 38.681 ( -5.178 4.557 0.319) 6.905 38.696 ( -7.405 5.390 -1.030) 9.217 38.893 ( -0.025 -0.519 5.497) 5.521 39.018 ( -0.344 -5.253 -6.312) 8.219 39.439 ( -14.879 -12.110 6.186) 20.157 39.561 ( -15.707 -13.796 -5.514) 21.620 44.288 ( 32.933 -4.100 3.700) 33.393 44.363 ( 35.065 -5.192 -3.523) 35.621 45.416 ( -20.103 -9.293 7.996) 23.546 45.566 ( -21.530 -11.467 -6.505) 25.246 58.575 ( 57.674 -23.471 6.460) 62.601 58.762 ( 61.813 -28.040 -11.915) 68.913 61.243 ( -47.636 -42.562 15.335) 65.696 61.517 ( -49.134 -45.776 -11.427) 68.119 ======================= Grid point 234 (80/96) ======================= q-point: (-0.50 0.21 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -4.132 19.418 3.894) 20.231 2.881 ( 4.132 19.418 3.894) 20.231 3.051 ( -10.826 6.729 16.139) 20.566 3.051 ( 10.826 6.729 16.139) 20.566 3.206 ( -3.878 11.024 2.865) 12.032 3.206 ( 3.878 11.024 2.865) 12.032 3.481 ( -9.398 22.340 -5.324) 24.814 3.481 ( 9.398 22.340 -5.324) 24.814 3.867 ( -4.135 6.502 2.202) 8.014 3.867 ( 4.135 6.502 2.202) 8.014 4.169 ( -0.930 21.813 -3.901) 22.179 4.169 ( 0.930 21.813 -3.901) 22.179 4.345 ( -3.804 13.824 0.978) 14.372 4.345 ( 3.804 13.824 0.978) 14.372 4.428 ( -3.004 8.135 -12.095) 14.883 4.428 ( 3.004 8.135 -12.095) 14.883 4.704 ( -1.198 7.082 3.039) 7.799 4.704 ( 1.198 7.082 3.039) 7.799 4.984 ( -0.130 17.867 -4.162) 18.346 4.984 ( 0.130 17.867 -4.162) 18.346 5.286 ( -2.687 12.368 -1.728) 12.774 5.286 ( 2.687 12.368 -1.728) 12.774 5.581 ( -1.402 22.411 5.081) 23.022 5.581 ( 1.402 22.411 5.081) 23.022 5.761 ( -12.408 4.488 -1.032) 13.235 5.761 ( 12.408 4.488 -1.032) 13.235 5.810 ( -6.840 10.376 -3.234) 12.841 5.810 ( 6.840 10.376 -3.234) 12.841 6.080 ( -5.529 10.453 -1.162) 11.882 6.080 ( 5.529 10.453 -1.162) 11.882 6.112 ( -13.118 9.200 -1.481) 16.091 6.112 ( 13.118 9.200 -1.481) 16.091 6.628 ( -3.992 6.827 3.884) 8.810 6.628 ( 3.992 6.827 3.884) 8.810 6.852 ( -3.989 -4.853 -3.391) 7.139 6.852 ( 3.989 -4.853 -3.391) 7.139 7.448 ( -1.119 -2.890 1.270) 3.349 7.448 ( 1.119 -2.890 1.270) 3.349 7.728 ( -5.721 -7.729 2.090) 9.840 7.728 ( 5.721 -7.729 2.090) 9.840 8.235 ( -2.116 1.765 1.294) 3.044 8.235 ( 2.116 1.765 1.294) 3.044 8.713 ( -0.978 7.771 -0.654) 7.859 8.713 ( 0.978 7.771 -0.654) 7.859 9.218 ( -12.779 0.484 -1.262) 12.851 9.218 ( 12.779 0.484 -1.262) 12.851 10.201 ( -12.081 -14.554 1.696) 18.991 10.201 ( 12.081 -14.554 1.696) 18.991 16.041 ( -0.688 -2.526 -0.766) 2.728 16.041 ( 0.688 -2.526 -0.766) 2.728 16.367 ( -0.191 -5.796 0.699) 5.841 16.367 ( 0.191 -5.796 0.699) 5.841 17.771 ( -4.492 -6.072 4.783) 8.940 17.771 ( 4.492 -6.072 4.783) 8.940 17.877 ( -7.191 -8.325 -5.406) 12.257 17.877 ( 7.191 -8.325 -5.406) 12.257 21.228 ( -0.101 9.439 0.470) 9.452 21.228 ( 0.101 9.439 0.470) 9.452 21.241 ( -0.936 9.219 -0.760) 9.297 21.241 ( 0.936 9.219 -0.760) 9.297 26.072 ( -1.170 -0.552 -0.844) 1.545 26.072 ( 1.170 -0.552 -0.844) 1.545 26.242 ( -1.033 -1.600 0.574) 1.989 26.242 ( 1.033 -1.600 0.574) 1.989 35.591 ( -29.288 -15.733 3.949) 33.480 35.591 ( 29.288 -15.733 3.949) 33.480 35.803 ( -25.908 -21.111 -5.569) 33.881 35.803 ( 25.908 -21.111 -5.569) 33.881 38.494 ( -4.487 2.423 0.393) 5.114 38.494 ( 4.487 2.423 0.393) 5.114 38.562 ( -2.964 5.212 -0.076) 5.997 38.562 ( 2.964 5.212 -0.076) 5.997 38.956 ( -5.495 -3.466 3.219) 7.250 38.956 ( 5.495 -3.466 3.219) 7.250 39.338 ( -5.297 -13.887 -3.183) 15.200 39.338 ( 5.297 -13.887 -3.183) 15.200 44.858 ( -14.337 -4.864 2.523) 15.348 44.858 ( 14.337 -4.864 2.523) 15.348 45.095 ( -16.333 -10.539 -1.800) 19.521 45.095 ( 16.333 -10.539 -1.800) 19.521 59.543 ( -16.543 -27.814 -1.750) 32.409 59.543 ( 16.543 -27.814 -1.750) 32.409 60.626 ( -18.457 -45.989 0.225) 49.555 60.626 ( 18.457 -45.989 0.225) 49.555 ======================= Grid point 238 (81/96) ======================= q-point: ( 0.00 0.29 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 18.383 3.404) 18.695 2.162 ( 0.000 15.133 -0.012) 15.133 2.885 ( 0.000 8.994 18.264) 20.359 3.134 ( 0.000 2.184 -7.341) 7.659 3.345 ( 0.000 2.340 14.408) 14.597 3.638 ( 0.000 15.004 -7.997) 17.002 3.641 ( 0.000 9.127 0.607) 9.148 3.717 ( 0.000 7.809 -8.605) 11.620 3.845 ( 0.000 15.843 0.874) 15.868 3.886 ( 0.000 3.525 -4.641) 5.828 4.229 ( 0.000 -2.034 6.663) 6.966 4.332 ( 0.000 -0.441 -2.650) 2.686 4.560 ( 0.000 4.594 7.822) 9.072 4.644 ( 0.000 22.095 0.462) 22.100 4.722 ( 0.000 6.962 6.710) 9.669 4.810 ( 0.000 21.673 -5.501) 22.361 4.865 ( 0.000 10.187 -6.193) 11.922 4.901 ( 0.000 1.226 -5.522) 5.657 5.132 ( 0.000 23.215 4.331) 23.615 5.146 ( 0.000 26.179 5.757) 26.804 5.327 ( 0.000 9.690 0.036) 9.690 5.359 ( 0.000 11.589 -6.072) 13.083 5.536 ( 0.000 13.244 -1.832) 13.370 5.663 ( 0.000 8.161 -8.375) 11.694 5.941 ( 0.000 -1.101 8.146) 8.221 6.069 ( 0.000 -0.835 -2.099) 2.259 6.106 ( 0.000 4.179 -2.159) 4.704 6.137 ( 0.000 2.202 -5.799) 6.203 6.220 ( 0.000 13.709 1.338) 13.774 6.225 ( 0.000 5.417 -0.040) 5.417 6.345 ( 0.000 19.427 -2.046) 19.534 6.364 ( 0.000 27.541 -3.590) 27.774 6.593 ( 0.000 0.642 -1.526) 1.656 6.594 ( 0.000 -1.127 -1.256) 1.687 6.885 ( 0.000 15.233 1.669) 15.324 6.922 ( 0.000 14.935 -1.960) 15.063 7.350 ( 0.000 -0.539 5.456) 5.483 7.415 ( 0.000 0.436 -1.000) 1.091 7.718 ( 0.000 2.342 4.127) 4.745 7.790 ( 0.000 1.143 -2.289) 2.559 7.960 ( 0.000 -6.612 4.426) 7.957 8.014 ( 0.000 -5.805 -0.911) 5.876 8.424 ( 0.000 -1.857 2.126) 2.823 8.445 ( 0.000 -1.859 0.380) 1.897 9.129 ( 0.000 0.381 12.397) 12.402 9.381 ( 0.000 -3.092 -11.817) 12.214 11.999 ( 0.000 -9.606 0.991) 9.657 12.023 ( 0.000 -10.539 -1.220) 10.609 15.825 ( 0.000 -1.044 0.148) 1.055 15.835 ( 0.000 -1.152 -0.789) 1.396 16.005 ( 0.000 -1.775 1.104) 2.090 16.023 ( 0.000 -1.969 -0.582) 2.053 17.219 ( 0.000 -2.069 0.651) 2.170 17.235 ( 0.000 -2.226 -0.837) 2.378 17.450 ( 0.000 -2.200 1.001) 2.417 17.476 ( 0.000 -2.728 -1.488) 3.107 21.414 ( 0.000 7.684 1.536) 7.836 21.433 ( 0.000 9.276 -0.091) 9.276 21.435 ( 0.000 9.266 0.098) 9.267 21.462 ( 0.000 6.222 -2.760) 6.806 25.823 ( 0.000 -1.447 0.474) 1.523 25.835 ( 0.000 -1.638 -0.712) 1.786 26.461 ( 0.000 -0.974 0.071) 0.976 26.467 ( 0.000 -1.112 -0.403) 1.182 33.431 ( 0.000 -2.492 2.205) 3.327 33.477 ( 0.000 -3.056 -2.247) 3.794 36.321 ( 0.000 -13.097 2.637) 13.360 36.358 ( 0.000 -13.188 -1.038) 13.229 38.186 ( 0.000 -0.931 4.633) 4.726 38.269 ( 0.000 0.018 -3.236) 3.236 38.762 ( 0.000 -0.556 1.854) 1.936 38.824 ( 0.000 -3.084 -4.093) 5.125 39.066 ( 0.000 5.845 1.029) 5.935 39.087 ( 0.000 5.944 -0.991) 6.026 39.735 ( 0.000 -10.916 3.857) 11.578 39.796 ( 0.000 -11.908 -1.934) 12.064 43.404 ( 0.000 -0.700 0.597) 0.920 43.417 ( 0.000 -0.705 -0.628) 0.944 45.614 ( 0.000 -8.780 6.409) 10.871 45.738 ( 0.000 -11.275 -5.520) 12.553 56.985 ( 0.000 -10.790 2.015) 10.977 57.034 ( 0.000 -11.470 -2.634) 11.768 61.454 ( 0.000 -36.451 12.209) 38.442 61.683 ( 0.000 -39.571 -9.762) 40.757 ======================= Grid point 239 (82/96) ======================= q-point: ( 0.17 0.29 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 35.574 15.639 6.797) 39.450 2.641 ( 32.761 13.902 5.617) 36.029 2.931 ( 5.408 8.455 12.557) 16.075 3.223 ( 10.227 1.842 -10.885) 15.049 3.381 ( 4.069 2.119 14.553) 15.259 3.581 ( -5.468 8.266 1.587) 10.037 3.660 ( 4.559 10.246 -6.128) 12.780 3.715 ( 0.811 12.578 -7.094) 14.464 3.857 ( 2.358 10.211 -2.141) 10.696 3.885 ( 1.303 2.698 -4.364) 5.293 4.290 ( -4.232 -1.282 6.807) 8.118 4.354 ( 1.895 3.921 7.935) 9.051 4.435 ( 2.401 7.467 -0.557) 7.863 4.550 ( -9.926 17.586 -2.808) 20.388 4.714 ( 3.660 16.373 -6.389) 17.952 4.720 ( -3.482 17.518 -6.336) 18.951 5.019 ( 11.336 8.440 4.069) 14.707 5.074 ( 3.342 7.211 -0.615) 7.972 5.140 ( 0.061 22.023 4.303) 22.440 5.157 ( 4.898 24.327 2.993) 24.995 5.309 ( -1.413 8.618 -1.678) 8.893 5.357 ( 1.814 10.746 -2.775) 11.245 5.540 ( -0.104 13.985 -3.599) 14.441 5.644 ( -2.134 9.058 -8.023) 12.287 5.872 ( -3.720 1.466 5.926) 7.148 6.012 ( -4.092 2.091 -7.112) 8.467 6.107 ( -3.132 8.144 4.547) 9.839 6.187 ( 2.572 -3.731 -2.624) 5.237 6.249 ( 5.414 12.878 1.298) 14.030 6.311 ( -0.064 20.955 -3.480) 21.242 6.397 ( 11.049 8.091 0.386) 13.700 6.418 ( 6.133 18.352 -1.310) 19.394 6.570 ( -1.946 2.609 1.698) 3.671 6.640 ( 2.399 0.753 -5.473) 6.023 6.895 ( 1.608 12.426 1.679) 12.641 6.933 ( 0.626 11.918 -1.989) 12.099 7.316 ( -2.970 0.362 4.261) 5.206 7.372 ( -2.933 1.267 -0.938) 3.330 7.721 ( -0.327 2.535 4.193) 4.911 7.794 ( -0.321 0.786 -2.259) 2.413 7.964 ( 2.326 -5.303 5.355) 7.887 8.039 ( 3.457 -5.438 -2.210) 6.812 8.419 ( -0.290 -1.853 2.608) 3.212 8.451 ( 1.038 -2.232 -0.285) 2.478 9.098 ( -2.317 2.129 10.263) 10.735 9.310 ( -5.908 -0.387 -10.115) 11.720 11.592 ( -38.722 -9.680 3.887) 40.102 11.670 ( -35.232 -10.825 -3.650) 37.038 15.882 ( 4.649 -1.493 0.763) 4.942 15.909 ( 5.272 -1.890 -1.817) 5.887 16.077 ( 6.297 -3.289 0.767) 7.146 16.082 ( 5.568 -3.247 0.135) 6.447 17.317 ( 9.207 -2.405 0.471) 9.528 17.330 ( 9.123 -2.571 -0.727) 9.506 17.515 ( 6.507 -2.943 2.610) 7.604 17.575 ( 8.451 -4.490 -3.149) 10.074 21.413 ( -0.039 7.832 1.300) 7.939 21.429 ( -0.348 9.179 0.051) 9.186 21.432 ( -0.312 9.212 -0.054) 9.217 21.454 ( -0.756 6.605 -2.304) 7.036 25.860 ( 3.774 -1.208 0.464) 3.990 25.874 ( 3.844 -1.447 -0.801) 4.185 26.418 ( -4.324 -0.943 0.146) 4.428 26.424 ( -4.209 -1.077 -0.357) 4.359 33.750 ( 29.823 -6.094 1.441) 30.473 33.788 ( 31.118 -6.644 -2.170) 31.894 36.250 ( -7.980 -13.696 1.512) 15.923 36.266 ( -10.009 -13.491 -0.218) 16.800 38.208 ( 2.554 -1.737 4.894) 5.787 38.296 ( 2.914 -0.750 -3.446) 4.575 38.758 ( -0.110 0.490 1.725) 1.797 38.818 ( -0.616 -1.850 -4.061) 4.505 39.029 ( -3.769 5.468 0.942) 6.708 39.048 ( -3.842 5.125 -0.806) 6.456 39.554 ( -16.460 -10.552 4.393) 20.039 39.627 ( -15.337 -11.784 -2.618) 19.518 43.652 ( 23.446 -1.663 1.360) 23.544 43.680 ( 24.620 -2.049 -1.298) 24.739 45.521 ( -9.499 -8.378 6.140) 14.075 45.640 ( -9.994 -10.803 -5.321) 15.649 57.301 ( 31.170 -13.891 2.609) 34.224 57.367 ( 33.333 -14.553 -3.743) 36.563 61.184 ( -27.085 -35.945 11.939) 46.564 61.409 ( -27.542 -39.154 -9.625) 48.829 ======================= Grid point 240 (83/96) ======================= q-point: ( 0.33 0.29 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 9.435 9.665 16.013) 20.949 3.044 ( 10.023 8.835 15.485) 20.452 3.099 ( 8.929 8.340 -3.296) 12.655 3.329 ( -3.632 8.098 -2.597) 9.247 3.414 ( -4.345 5.580 6.364) 9.514 3.468 ( -5.500 6.027 0.712) 8.190 3.776 ( 2.003 5.077 -1.378) 5.629 3.828 ( -0.452 6.607 -8.179) 10.524 3.932 ( 4.523 6.607 3.591) 8.775 4.081 ( 17.186 7.329 -5.493) 19.474 4.238 ( 3.700 6.491 3.765) 8.366 4.372 ( 10.465 12.949 -5.095) 17.411 4.519 ( 3.685 14.453 -3.238) 15.262 4.585 ( 6.566 14.397 -7.598) 17.553 4.693 ( 1.089 17.668 0.580) 17.711 4.763 ( -0.792 15.207 -4.814) 15.970 5.044 ( -2.289 17.998 8.467) 20.022 5.116 ( -2.204 23.076 7.370) 24.325 5.192 ( 5.820 7.226 -1.584) 9.413 5.263 ( 3.955 15.086 -3.851) 16.065 5.415 ( 11.845 4.412 -1.255) 12.702 5.485 ( 8.580 8.763 -5.601) 13.483 5.532 ( 2.757 10.625 -0.998) 11.023 5.593 ( 0.194 8.347 -4.967) 9.715 5.832 ( -0.200 3.867 4.537) 5.965 5.946 ( -3.071 3.794 -6.265) 7.942 6.049 ( -2.594 4.987 7.797) 9.612 6.195 ( -0.072 0.882 -5.312) 5.385 6.294 ( -0.864 18.639 -1.408) 18.712 6.310 ( 0.090 25.928 -1.901) 25.997 6.476 ( -7.630 5.087 2.984) 9.644 6.500 ( -3.786 5.580 0.446) 6.758 6.627 ( 8.670 8.688 3.319) 12.715 6.734 ( 9.971 6.584 -6.130) 13.430 6.891 ( -4.902 7.645 2.415) 9.398 6.950 ( 1.246 5.986 -3.516) 7.053 7.310 ( 5.975 0.634 5.116) 7.891 7.376 ( 3.965 2.376 -1.322) 4.808 7.666 ( -5.887 3.044 4.257) 7.877 7.727 ( -6.256 -2.450 -0.978) 6.789 8.118 ( 9.210 -3.293 3.261) 10.310 8.184 ( 9.859 -3.141 -3.005) 10.774 8.466 ( 10.011 -2.942 5.162) 11.641 8.560 ( 13.251 -2.467 -4.341) 14.161 9.082 ( 2.006 4.176 6.493) 7.977 9.221 ( -1.149 2.629 -7.139) 7.694 10.627 ( -55.481 -10.284 7.548) 56.929 10.766 ( -53.339 -11.887 -5.860) 54.961 15.960 ( 2.853 -1.911 0.371) 3.454 15.981 ( 1.949 -2.136 -1.686) 3.347 16.194 ( 4.791 -5.323 0.759) 7.202 16.198 ( 4.816 -5.433 0.491) 7.277 17.521 ( 10.064 -3.359 1.116) 10.668 17.546 ( 11.114 -4.298 -1.209) 11.977 17.652 ( 5.897 -4.005 3.261) 7.839 17.728 ( 5.348 -6.334 -4.033) 9.219 21.413 ( 0.031 8.209 0.747) 8.243 21.422 ( -0.271 8.929 0.107) 8.934 21.424 ( -0.397 8.981 -0.165) 8.991 21.437 ( -0.907 7.503 -1.306) 7.669 25.963 ( 6.352 -0.662 0.336) 6.395 25.977 ( 6.299 -0.951 -1.018) 6.452 26.304 ( -6.820 -0.970 0.574) 6.912 26.314 ( -6.632 -1.200 -0.373) 6.750 34.482 ( 42.569 -11.073 3.452) 44.121 34.568 ( 44.500 -13.895 -4.839) 46.870 35.934 ( -24.664 -14.239 1.948) 28.546 35.971 ( -21.519 -15.413 -1.507) 26.512 38.306 ( 7.992 -2.812 4.762) 9.719 38.393 ( 7.242 -1.802 -3.526) 8.254 38.752 ( -2.660 2.720 0.448) 3.831 38.776 ( -5.106 2.346 -1.791) 5.897 38.928 ( -5.061 2.931 2.034) 6.192 38.969 ( -2.506 0.378 -1.977) 3.214 39.215 ( -14.805 -8.977 4.783) 17.962 39.304 ( -15.141 -10.741 -3.806) 18.950 44.208 ( 30.852 -3.586 2.650) 31.173 44.261 ( 32.265 -4.580 -2.489) 32.684 45.244 ( -18.733 -7.363 5.367) 20.831 45.349 ( -19.749 -9.521 -4.684) 22.419 58.128 ( 50.952 -19.647 4.679) 54.809 58.250 ( 53.614 -21.880 -7.099) 58.340 60.446 ( -46.403 -34.559 11.172) 58.927 60.652 ( -48.100 -37.860 -8.793) 61.841 ======================= Grid point 241 (84/96) ======================= q-point: (-0.50 0.29 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -3.465 5.245 11.022) 12.688 3.126 ( 3.465 5.245 11.022) 12.688 3.232 ( -4.545 10.018 -0.189) 11.003 3.232 ( 4.545 10.018 -0.189) 11.003 3.345 ( -2.725 6.469 9.836) 12.084 3.345 ( 2.725 6.469 9.836) 12.084 3.792 ( -0.932 5.884 -3.935) 7.140 3.792 ( 0.932 5.884 -3.935) 7.140 4.031 ( -6.436 7.694 -6.580) 11.997 4.031 ( 6.436 7.694 -6.580) 11.997 4.555 ( -4.498 8.904 -2.002) 10.174 4.555 ( 4.498 8.904 -2.002) 10.174 4.580 ( -9.882 16.547 -1.451) 19.328 4.580 ( 9.882 16.547 -1.451) 19.328 4.677 ( -2.772 16.201 -4.012) 16.919 4.677 ( 2.772 16.201 -4.012) 16.919 5.056 ( -2.765 23.629 7.939) 25.080 5.056 ( 2.765 23.629 7.939) 25.080 5.309 ( -2.549 13.157 -5.804) 14.604 5.309 ( 2.549 13.157 -5.804) 14.604 5.461 ( -2.299 5.929 -3.214) 7.126 5.461 ( 2.299 5.929 -3.214) 7.126 5.748 ( -1.576 0.586 -1.767) 2.440 5.748 ( 1.576 0.586 -1.767) 2.440 5.863 ( -5.895 8.169 2.438) 10.365 5.863 ( 5.895 8.169 2.438) 10.365 6.107 ( -11.692 3.226 -2.201) 12.327 6.107 ( 11.692 3.226 -2.201) 12.327 6.288 ( -2.851 18.384 2.544) 18.777 6.288 ( 2.851 18.384 2.544) 18.777 6.375 ( -2.037 9.337 -1.631) 9.695 6.375 ( 2.037 9.337 -1.631) 9.695 6.767 ( -6.427 8.027 4.763) 11.333 6.767 ( 6.427 8.027 4.763) 11.333 6.898 ( -5.637 8.266 -4.950) 11.163 6.898 ( 5.637 8.266 -4.950) 11.163 7.478 ( -1.206 7.397 0.483) 7.510 7.478 ( 1.206 7.397 0.483) 7.510 7.571 ( -5.337 -6.437 1.806) 8.555 7.571 ( 5.337 -6.437 1.806) 8.555 8.230 ( -2.754 -2.282 1.508) 3.881 8.230 ( 2.754 -2.282 1.508) 3.881 8.772 ( -4.476 -0.980 -1.698) 4.886 8.772 ( 4.476 -0.980 -1.698) 4.886 9.272 ( -11.104 3.677 0.529) 11.709 9.272 ( 11.104 3.677 0.529) 11.709 9.899 ( -12.925 -14.507 0.760) 19.445 9.899 ( 12.925 -14.507 0.760) 19.445 15.993 ( -0.580 -2.138 -0.679) 2.317 15.993 ( 0.580 -2.138 -0.679) 2.317 16.244 ( -0.130 -6.035 0.672) 6.074 16.244 ( 0.130 -6.035 0.672) 6.074 17.653 ( -2.120 -4.970 1.855) 5.713 17.653 ( 2.120 -4.970 1.855) 5.713 17.742 ( -3.719 -5.161 -2.270) 6.754 17.742 ( 3.719 -5.161 -2.270) 6.754 21.416 ( -0.277 8.632 0.241) 8.640 21.416 ( 0.277 8.632 0.241) 8.640 21.423 ( -0.361 8.384 -0.460) 8.404 21.423 ( 0.361 8.384 -0.460) 8.404 26.066 ( -0.922 -0.052 -0.753) 1.192 26.066 ( 0.922 -0.052 -0.753) 1.192 26.209 ( -0.816 -1.637 0.534) 1.906 26.209 ( 0.816 -1.637 0.534) 1.906 35.287 ( -28.942 -13.505 2.478) 32.033 35.287 ( 28.942 -13.505 2.478) 32.033 35.407 ( -27.327 -17.131 -3.227) 32.414 35.407 ( 27.327 -17.131 -3.227) 32.414 38.499 ( -6.807 -1.846 1.016) 7.125 38.499 ( 6.807 -1.846 1.016) 7.125 38.634 ( -4.614 0.977 -0.294) 4.725 38.634 ( 4.614 0.977 -0.294) 4.725 38.932 ( -3.516 1.026 1.547) 3.976 38.932 ( 3.516 1.026 1.547) 3.976 39.101 ( -4.427 -8.250 -1.806) 9.536 39.101 ( 4.427 -8.250 -1.806) 9.536 44.761 ( -15.848 -4.524 2.109) 16.616 44.761 ( 15.848 -4.524 2.109) 16.616 44.899 ( -17.208 -8.425 -1.709) 19.236 44.899 ( 17.208 -8.425 -1.709) 19.236 59.024 ( -14.012 -22.255 -1.322) 26.332 59.024 ( 14.012 -22.255 -1.322) 26.332 59.768 ( -16.192 -37.284 1.017) 40.661 59.768 ( 16.192 -37.284 1.017) 40.661 ======================= Grid point 245 (85/96) ======================= q-point: ( 0.00 0.36 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 12.667 0.387) 12.673 2.456 ( 0.000 14.131 0.059) 14.131 3.065 ( 0.000 8.526 11.700) 14.477 3.179 ( 0.000 3.060 -2.258) 3.803 3.388 ( 0.000 2.527 11.242) 11.522 3.689 ( 0.000 -5.023 -12.123) 13.123 3.769 ( 0.000 4.092 1.659) 4.415 3.861 ( 0.000 5.570 -9.232) 10.783 3.985 ( 0.000 -1.403 2.372) 2.755 4.011 ( 0.000 3.668 -0.631) 3.722 4.317 ( 0.000 9.141 0.760) 9.173 4.341 ( 0.000 3.589 -1.869) 4.046 4.603 ( 0.000 0.567 10.101) 10.117 4.672 ( 0.000 -1.850 5.503) 5.805 4.942 ( 0.000 2.812 -3.599) 4.567 4.984 ( 0.000 5.968 -9.450) 11.176 5.217 ( 0.000 15.059 3.582) 15.479 5.234 ( 0.000 22.635 1.771) 22.704 5.439 ( 0.000 8.351 5.596) 10.052 5.504 ( 0.000 8.167 6.314) 10.323 5.622 ( 0.000 16.365 -0.405) 16.370 5.636 ( 0.000 -4.841 -2.536) 5.465 5.677 ( 0.000 3.157 -6.094) 6.863 5.742 ( 0.000 15.968 -5.950) 17.041 5.897 ( 0.000 -1.903 7.487) 7.725 6.057 ( 0.000 -0.749 -6.417) 6.460 6.224 ( 0.000 9.253 0.762) 9.285 6.254 ( 0.000 11.852 -2.450) 12.103 6.351 ( 0.000 5.854 -1.759) 6.113 6.403 ( 0.000 7.039 -4.874) 8.561 6.557 ( 0.000 -1.698 -0.047) 1.698 6.558 ( 0.000 -1.577 -0.508) 1.656 6.796 ( 0.000 17.675 2.527) 17.855 6.856 ( 0.000 15.685 -2.857) 15.943 7.202 ( 0.000 15.018 2.589) 15.239 7.256 ( 0.000 16.869 -2.177) 17.008 7.371 ( 0.000 3.045 3.884) 4.935 7.460 ( 0.000 3.878 -4.719) 6.108 7.797 ( 0.000 -0.404 3.261) 3.286 7.841 ( 0.000 -0.997 -0.960) 1.384 7.904 ( 0.000 5.645 3.346) 6.562 7.956 ( 0.000 3.433 -1.442) 3.723 8.362 ( 0.000 -2.557 1.985) 3.237 8.376 ( 0.000 -3.877 0.609) 3.924 9.094 ( 0.000 -3.975 8.903) 9.750 9.277 ( 0.000 -7.185 -8.696) 11.280 11.824 ( 0.000 -7.305 0.337) 7.313 11.832 ( 0.000 -7.859 -0.439) 7.872 15.810 ( 0.000 -0.477 0.155) 0.502 15.817 ( 0.000 -0.597 -0.552) 0.813 15.971 ( 0.000 -1.536 0.791) 1.728 15.984 ( 0.000 -1.776 -0.456) 1.833 17.185 ( 0.000 -1.244 0.487) 1.336 17.197 ( 0.000 -1.474 -0.641) 1.608 17.410 ( 0.000 -1.590 0.655) 1.720 17.427 ( 0.000 -2.005 -0.941) 2.215 21.548 ( 0.000 5.380 0.714) 5.427 21.569 ( 0.000 4.431 -1.283) 4.613 21.608 ( 0.000 7.411 -0.002) 7.411 21.609 ( 0.000 7.389 -0.018) 7.389 25.799 ( 0.000 -0.908 0.324) 0.964 25.807 ( 0.000 -1.113 -0.474) 1.210 26.445 ( 0.000 -0.601 0.042) 0.602 26.449 ( 0.000 -0.674 -0.264) 0.724 33.385 ( 0.000 -1.872 1.566) 2.441 33.418 ( 0.000 -2.597 -1.607) 3.054 36.092 ( 0.000 -9.144 1.834) 9.326 36.122 ( 0.000 -9.660 -1.087) 9.721 38.157 ( 0.000 -1.626 4.109) 4.419 38.240 ( 0.000 -2.617 -3.724) 4.551 38.763 ( 0.000 0.539 0.428) 0.688 38.782 ( 0.000 -0.853 -1.368) 1.612 39.184 ( 0.000 5.210 0.827) 5.275 39.200 ( 0.000 4.884 -0.699) 4.934 39.534 ( 0.000 -8.484 2.419) 8.822 39.575 ( 0.000 -9.416 -1.493) 9.534 43.392 ( 0.000 -0.461 0.529) 0.702 43.403 ( 0.000 -0.617 -0.539) 0.820 45.463 ( 0.000 -5.883 3.818) 7.013 45.539 ( 0.000 -8.053 -3.465) 8.767 56.786 ( 0.000 -8.399 1.458) 8.524 56.819 ( 0.000 -9.166 -1.758) 9.333 60.820 ( 0.000 -25.052 8.070) 26.320 60.978 ( 0.000 -28.733 -7.052) 29.586 ======================= Grid point 246 (86/96) ======================= q-point: ( 0.17 0.36 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 32.787 13.129 7.445) 36.094 2.933 ( 31.212 13.842 1.280) 34.168 3.100 ( 4.871 8.107 6.482) 11.466 3.235 ( 9.201 0.483 -5.470) 10.715 3.408 ( 2.979 1.164 10.612) 11.084 3.642 ( -4.549 -2.722 -6.642) 8.498 3.761 ( 1.246 3.214 0.335) 3.464 3.889 ( 1.991 5.129 -9.808) 11.246 3.936 ( 0.244 -0.232 2.736) 2.757 4.007 ( 0.141 2.145 -4.744) 5.208 4.308 ( -4.146 4.477 6.999) 9.286 4.385 ( 2.396 2.978 -0.013) 3.822 4.586 ( 7.714 6.591 5.068) 11.342 4.734 ( 2.754 3.664 -5.057) 6.825 4.963 ( 4.393 5.851 1.905) 7.560 5.058 ( 3.297 7.984 -5.865) 10.441 5.215 ( 1.451 12.252 4.410) 13.102 5.264 ( 1.301 14.195 -0.004) 14.255 5.443 ( 0.557 9.575 4.317) 10.518 5.482 ( -1.317 8.887 3.467) 9.630 5.595 ( -2.456 15.277 -0.103) 15.473 5.644 ( 1.315 -2.803 -3.669) 4.801 5.736 ( 2.165 13.545 -1.878) 13.845 5.755 ( 2.660 7.230 -0.290) 7.709 5.899 ( 1.183 0.598 2.380) 2.725 6.037 ( -1.682 -0.064 -8.611) 8.774 6.174 ( -2.739 7.056 2.369) 7.932 6.237 ( -5.391 9.570 -3.783) 11.617 6.401 ( 6.890 5.101 1.713) 8.743 6.477 ( 8.007 3.925 -3.883) 9.725 6.569 ( -0.708 -1.358 0.444) 1.594 6.592 ( 2.688 -0.194 -2.584) 3.734 6.802 ( 1.254 16.777 2.438) 16.999 6.848 ( -0.497 14.269 -1.956) 14.411 7.189 ( -1.018 14.400 2.076) 14.584 7.222 ( -3.978 14.073 -0.238) 14.627 7.352 ( -1.629 4.147 2.730) 5.226 7.442 ( -0.939 5.560 -5.273) 7.720 7.838 ( 3.603 2.819 3.705) 5.887 7.883 ( 5.369 1.587 0.142) 5.600 7.918 ( -1.189 7.822 1.114) 7.989 7.950 ( 2.037 -0.177 -0.943) 2.252 8.353 ( -0.648 -3.581 2.130) 4.217 8.377 ( 0.883 -3.660 -0.077) 3.766 9.086 ( -0.455 -3.364 7.754) 8.464 9.246 ( -2.656 -5.881 -7.596) 9.966 11.419 ( -38.538 -6.976 2.594) 39.250 11.472 ( -35.974 -8.263 -2.501) 36.995 15.859 ( 4.157 -0.719 0.571) 4.257 15.878 ( 4.688 -1.100 -1.236) 4.971 16.015 ( 3.888 -2.682 0.606) 4.762 16.021 ( 3.420 -2.721 0.011) 4.370 17.279 ( 8.735 -1.328 0.309) 8.841 17.288 ( 8.560 -1.515 -0.570) 8.712 17.465 ( 5.406 -1.934 1.526) 5.941 17.499 ( 6.394 -2.973 -1.741) 7.263 21.551 ( 0.295 5.540 0.590) 5.579 21.568 ( -0.035 4.729 -1.076) 4.850 21.601 ( -0.602 7.301 0.124) 7.327 21.604 ( -0.493 7.289 -0.152) 7.307 25.840 ( 4.172 -0.743 0.306) 4.249 25.849 ( 4.185 -0.966 -0.507) 4.325 26.403 ( -4.291 -0.601 0.069) 4.334 26.406 ( -4.254 -0.688 -0.223) 4.315 33.646 ( 25.304 -4.047 1.182) 25.653 33.673 ( 25.338 -4.576 -1.421) 25.787 36.009 ( -9.157 -9.648 1.106) 13.348 36.025 ( -10.514 -9.835 -0.506) 14.406 38.163 ( 1.159 -2.329 4.231) 4.966 38.248 ( 1.319 -3.488 -3.875) 5.378 38.779 ( 1.655 1.327 0.394) 2.157 38.797 ( 1.580 0.028 -1.425) 2.128 39.138 ( -5.102 4.636 0.749) 6.934 39.150 ( -5.614 4.321 -0.416) 7.097 39.363 ( -15.043 -7.715 2.769) 17.132 39.412 ( -14.394 -8.837 -1.937) 17.001 43.623 ( 21.876 -1.136 0.950) 21.926 43.643 ( 22.558 -1.566 -0.915) 22.631 45.377 ( -8.849 -5.636 3.658) 11.111 45.450 ( -9.166 -7.720 -3.326) 12.437 57.054 ( 26.938 -9.994 2.101) 28.809 57.103 ( 28.349 -11.008 -2.552) 30.518 60.560 ( -26.084 -24.628 7.858) 36.724 60.714 ( -26.525 -28.241 -6.866) 39.348 ======================= Grid point 247 (87/96) ======================= q-point: ( 0.33 0.36 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 4.990 6.789 11.726) 14.439 3.186 ( 3.543 5.764 3.179) 7.475 3.280 ( 6.620 9.257 5.180) 12.504 3.458 ( -1.234 4.558 -1.573) 4.977 3.472 ( 1.220 1.114 4.261) 4.571 3.543 ( -5.044 1.193 -1.930) 5.530 3.833 ( 0.477 0.835 -1.417) 1.713 3.883 ( -3.289 -0.035 -7.752) 8.421 4.067 ( 5.773 5.797 5.088) 9.634 4.208 ( 19.791 4.249 -4.319) 20.697 4.347 ( 2.563 6.397 1.503) 7.053 4.451 ( 14.894 1.673 -5.727) 16.044 4.831 ( 9.537 10.948 1.110) 14.562 4.875 ( 14.679 12.538 -2.824) 19.510 5.026 ( 0.894 11.161 1.607) 11.311 5.073 ( -2.194 11.913 -1.531) 12.209 5.272 ( 2.290 6.956 2.367) 7.696 5.318 ( 8.127 6.231 -0.352) 10.246 5.490 ( 3.911 10.789 4.396) 12.289 5.511 ( 3.385 9.891 2.651) 10.785 5.557 ( 3.525 10.633 0.721) 11.225 5.623 ( -3.235 2.122 -6.620) 7.667 5.749 ( -2.622 5.844 5.918) 8.721 5.824 ( 6.000 14.232 0.718) 15.462 5.946 ( 0.474 8.690 -4.298) 9.706 6.005 ( 0.427 1.985 -8.966) 9.193 6.109 ( -3.714 4.153 2.191) 5.987 6.169 ( -0.128 0.528 -4.737) 4.768 6.465 ( -6.212 0.493 1.935) 6.525 6.486 ( -7.589 -1.717 1.088) 7.857 6.610 ( 5.057 3.828 1.296) 6.474 6.674 ( 3.840 6.816 -5.482) 9.553 6.873 ( 5.570 12.115 1.176) 13.386 6.889 ( 7.044 10.046 0.309) 12.273 7.103 ( -7.003 10.453 3.738) 13.125 7.164 ( -2.528 11.776 -2.229) 12.249 7.362 ( 5.061 5.460 4.460) 8.679 7.470 ( 4.459 6.626 -5.659) 9.789 7.825 ( -5.587 12.036 4.291) 13.945 7.866 ( -3.129 14.377 0.039) 14.714 8.038 ( 7.367 -4.257 2.547) 8.881 8.105 ( 10.408 -4.065 -3.621) 11.746 8.392 ( 9.800 -3.672 5.195) 11.683 8.491 ( 13.682 -3.605 -4.753) 14.926 9.099 ( 2.878 -2.525 5.534) 6.729 9.209 ( 0.419 -3.865 -5.220) 6.509 10.450 ( -56.516 -6.863 5.120) 57.161 10.549 ( -54.663 -9.092 -4.355) 55.585 15.930 ( 2.568 -0.938 0.308) 2.751 15.946 ( 1.896 -1.195 -1.277) 2.579 16.092 ( 3.344 -4.539 0.577) 5.668 16.094 ( 3.306 -4.556 0.404) 5.644 17.468 ( 9.017 -1.767 0.409) 9.198 17.480 ( 9.367 -2.165 -0.753) 9.643 17.584 ( 5.476 -2.677 1.879) 6.378 17.624 ( 4.964 -3.981 -2.043) 6.683 21.559 ( 0.567 5.973 0.295) 6.007 21.569 ( 0.133 5.481 -0.604) 5.516 21.587 ( -0.770 6.965 0.146) 7.009 21.591 ( -0.810 6.971 -0.203) 7.020 25.953 ( 6.989 -0.316 0.213) 6.999 25.961 ( 6.956 -0.561 -0.608) 7.005 26.287 ( -7.112 -0.691 0.302) 7.152 26.293 ( -6.980 -0.871 -0.223) 7.038 34.291 ( 38.587 -7.514 1.835) 39.355 34.334 ( 39.531 -9.018 -2.302) 40.612 35.682 ( -25.148 -10.195 0.937) 27.152 35.700 ( -23.245 -10.908 -0.738) 25.687 38.238 ( 7.421 -3.343 4.032) 9.084 38.320 ( 6.793 -4.609 -3.810) 9.050 38.792 ( -6.706 0.822 0.449) 6.771 38.812 ( -3.773 1.124 -1.382) 4.172 38.950 ( -8.906 -1.727 1.532) 9.200 38.967 ( -7.567 -1.742 -0.053) 7.765 39.121 ( -8.015 0.293 1.653) 8.189 39.159 ( -9.248 -2.456 -1.902) 9.755 44.145 ( 29.124 -2.506 1.696) 29.281 44.179 ( 29.938 -3.399 -1.596) 30.172 45.118 ( -17.686 -4.967 3.204) 18.648 45.182 ( -18.287 -6.787 -2.916) 19.723 57.787 ( 46.157 -13.468 3.433) 48.204 57.868 ( 47.830 -15.331 -4.380) 50.417 59.848 ( -44.985 -23.431 7.256) 51.238 59.988 ( -46.137 -26.738 -6.121) 53.675 ======================= Grid point 248 (88/96) ======================= q-point: (-0.50 0.36 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -1.342 3.905 4.496) 6.104 3.213 ( 1.342 3.905 4.496) 6.104 3.393 ( -5.535 6.860 4.046) 9.699 3.394 ( 5.535 6.860 4.046) 9.699 3.452 ( -1.212 2.692 5.589) 6.321 3.452 ( 1.212 2.692 5.589) 6.321 3.831 ( -0.874 -0.870 -4.891) 5.044 3.831 ( 0.874 -0.870 -4.891) 5.044 4.188 ( -6.318 8.502 -3.883) 11.282 4.188 ( 6.318 8.502 -3.883) 11.282 4.589 ( -5.164 -0.091 -0.757) 5.220 4.589 ( 5.164 -0.091 -0.757) 5.220 4.956 ( -6.183 14.809 2.818) 16.294 4.956 ( 6.183 14.809 2.818) 16.294 5.032 ( -2.201 14.714 -3.905) 15.381 5.032 ( 2.201 14.714 -3.905) 15.381 5.416 ( -2.925 7.907 3.096) 8.981 5.416 ( 2.925 7.907 3.096) 8.981 5.483 ( -6.685 8.674 -1.568) 11.063 5.483 ( 6.685 8.674 -1.568) 11.063 5.652 ( -7.432 9.514 4.052) 12.734 5.652 ( 7.432 9.514 4.052) 12.734 5.822 ( -9.455 8.729 -8.087) 15.198 5.822 ( 9.455 8.729 -8.087) 15.198 6.006 ( -5.509 4.200 2.233) 7.279 6.006 ( 5.509 4.200 2.233) 7.279 6.136 ( -8.704 1.163 -3.097) 9.312 6.136 ( 8.704 1.163 -3.097) 9.312 6.323 ( -3.486 -1.891 1.300) 4.174 6.323 ( 3.486 -1.891 1.300) 4.174 6.675 ( -2.004 7.930 -0.433) 8.190 6.675 ( 2.004 7.930 -0.433) 8.190 6.975 ( -4.510 10.456 2.733) 11.711 6.975 ( 4.510 10.456 2.733) 11.711 7.068 ( -6.808 7.873 -4.185) 11.219 7.068 ( 6.808 7.873 -4.185) 11.219 7.514 ( -5.288 2.869 3.457) 6.939 7.514 ( 5.288 2.869 3.457) 6.939 7.770 ( -3.777 18.803 -0.942) 19.201 7.770 ( 3.777 18.803 -0.942) 19.201 8.144 ( -3.215 -5.861 1.811) 6.926 8.144 ( 3.215 -5.861 1.811) 6.926 8.720 ( -5.984 -3.473 -1.992) 7.200 8.720 ( 5.984 -3.473 -1.992) 7.200 9.323 ( -12.706 0.803 1.253) 12.793 9.323 ( 12.706 0.803 1.253) 12.793 9.623 ( -14.862 -12.177 -0.130) 19.214 9.623 ( 14.862 -12.177 -0.130) 19.214 15.958 ( -0.443 -1.116 -0.504) 1.302 15.958 ( 0.443 -1.116 -0.504) 1.302 16.127 ( -0.068 -5.220 0.526) 5.247 16.127 ( 0.068 -5.220 0.526) 5.247 17.577 ( -0.888 -2.475 0.327) 2.650 17.577 ( 0.888 -2.475 0.327) 2.650 17.655 ( -1.778 -3.470 -0.581) 3.942 17.655 ( 1.778 -3.470 -0.581) 3.942 21.572 ( -0.470 6.432 -0.015) 6.449 21.572 ( 0.470 6.432 -0.015) 6.449 21.577 ( -0.350 6.404 -0.133) 6.415 21.577 ( 0.350 6.404 -0.133) 6.415 26.071 ( -0.713 0.534 -0.567) 1.055 26.071 ( 0.713 0.534 -0.567) 1.055 26.175 ( -0.635 -1.620 0.420) 1.790 26.175 ( 0.635 -1.620 0.420) 1.790 35.050 ( -28.386 -9.482 1.388) 29.960 35.050 ( 28.386 -9.482 1.388) 29.960 35.111 ( -27.635 -11.681 -1.666) 30.049 35.111 ( 27.635 -11.681 -1.666) 30.049 38.442 ( -7.867 -3.013 1.052) 8.490 38.442 ( 7.867 -3.013 1.052) 8.490 38.584 ( -6.604 -5.165 -0.717) 8.414 38.584 ( 6.604 -5.165 -0.717) 8.414 38.977 ( -3.672 2.783 0.582) 4.644 38.977 ( 3.672 2.783 0.582) 4.644 39.021 ( -3.870 -0.325 -0.639) 3.936 39.021 ( 3.870 -0.325 -0.639) 3.936 44.679 ( -17.344 -3.325 1.547) 17.728 44.679 ( 17.344 -3.325 1.547) 17.728 44.753 ( -18.127 -5.825 -1.352) 19.088 44.753 ( 18.127 -5.825 -1.352) 19.088 58.649 ( -13.289 -14.109 -0.705) 19.395 58.649 ( 13.289 -14.109 -0.705) 19.395 59.112 ( -14.819 -26.663 0.713) 30.513 59.112 ( 14.819 -26.663 0.713) 30.513 ======================= Grid point 252 (89/96) ======================= q-point: ( 0.00 0.43 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 0.000 7.055 0.319) 7.062 2.673 ( 0.000 6.754 -1.026) 6.832 3.231 ( 0.000 7.662 5.720) 9.562 3.274 ( 0.000 6.037 0.331) 6.046 3.448 ( 0.000 2.549 2.784) 3.774 3.557 ( 0.000 -7.002 -5.819) 9.105 3.778 ( 0.000 -2.301 4.427) 4.989 3.894 ( 0.000 -3.533 -7.361) 8.165 3.982 ( 0.000 2.237 2.217) 3.149 4.024 ( 0.000 0.607 -1.667) 1.774 4.458 ( 0.000 5.692 0.760) 5.743 4.472 ( 0.000 5.329 -0.382) 5.343 4.606 ( 0.000 0.035 8.183) 8.183 4.634 ( 0.000 -1.709 5.653) 5.906 5.021 ( 0.000 5.116 -0.912) 5.197 5.094 ( 0.000 5.196 -8.172) 9.684 5.320 ( 0.000 -3.504 2.914) 4.557 5.364 ( 0.000 -9.468 -1.508) 9.588 5.628 ( 0.000 10.143 2.086) 10.355 5.637 ( 0.000 5.586 1.071) 5.688 5.672 ( 0.000 8.283 4.274) 9.320 5.758 ( 0.000 5.145 -0.739) 5.197 5.851 ( 0.000 0.738 -0.459) 0.869 5.885 ( 0.000 0.206 -4.308) 4.313 5.920 ( 0.000 8.657 2.722) 9.075 6.045 ( 0.000 0.048 -5.113) 5.113 6.401 ( 0.000 1.729 -0.764) 1.890 6.423 ( 0.000 0.684 -3.252) 3.324 6.508 ( 0.000 11.760 2.109) 11.948 6.535 ( 0.000 0.265 0.223) 0.347 6.544 ( 0.000 3.163 1.086) 3.344 6.600 ( 0.000 9.321 -4.633) 10.409 7.021 ( 0.000 3.303 1.113) 3.486 7.032 ( 0.000 6.260 0.469) 6.277 7.473 ( 0.000 10.678 4.808) 11.710 7.480 ( 0.000 6.479 4.198) 7.720 7.574 ( 0.000 12.849 -4.583) 13.642 7.578 ( 0.000 7.229 -5.865) 9.309 7.754 ( 0.000 -1.506 2.486) 2.907 7.779 ( 0.000 -2.851 -0.176) 2.856 7.968 ( 0.000 -5.723 -1.246) 5.857 7.978 ( 0.000 -4.397 -2.667) 5.143 8.403 ( 0.000 9.125 3.659) 9.831 8.447 ( 0.000 11.196 -0.463) 11.206 8.967 ( 0.000 -8.036 6.342) 10.237 9.088 ( 0.000 -11.051 -5.366) 12.285 11.707 ( 0.000 -3.959 0.018) 3.959 11.708 ( 0.000 -4.122 -0.078) 4.123 15.805 ( 0.000 -0.030 0.175) 0.177 15.809 ( 0.000 -0.206 -0.235) 0.313 15.945 ( 0.000 -0.876 0.374) 0.953 15.953 ( 0.000 -1.192 -0.317) 1.233 17.168 ( 0.000 -0.467 0.279) 0.544 17.174 ( 0.000 -0.766 -0.338) 0.837 17.386 ( 0.000 -0.769 0.301) 0.826 17.394 ( 0.000 -1.174 -0.503) 1.278 21.632 ( 0.000 2.779 0.167) 2.784 21.638 ( 0.000 2.323 -0.458) 2.368 21.728 ( 0.000 4.092 -0.016) 4.092 21.728 ( 0.000 4.092 -0.015) 4.092 25.785 ( 0.000 -0.379 0.175) 0.417 25.790 ( 0.000 -0.583 -0.223) 0.624 26.437 ( 0.000 -0.263 0.009) 0.263 26.438 ( 0.000 -0.345 -0.164) 0.382 33.357 ( 0.000 -0.841 0.811) 1.169 33.374 ( 0.000 -1.663 -0.836) 1.861 35.951 ( 0.000 -4.523 0.976) 4.627 35.968 ( 0.000 -5.284 -0.637) 5.322 38.132 ( 0.000 -0.637 2.304) 2.391 38.180 ( 0.000 -2.796 -2.295) 3.617 38.776 ( 0.000 0.580 -0.039) 0.581 38.779 ( 0.000 0.265 -0.279) 0.385 39.271 ( 0.000 3.105 0.548) 3.153 39.281 ( 0.000 2.887 -0.428) 2.919 39.398 ( 0.000 -4.679 1.265) 4.847 39.420 ( 0.000 -5.513 -0.929) 5.590 43.385 ( 0.000 -0.147 0.314) 0.347 43.392 ( 0.000 -0.434 -0.312) 0.535 45.375 ( 0.000 -2.659 1.776) 3.198 45.410 ( 0.000 -4.483 -1.617) 4.766 56.652 ( 0.000 -4.412 0.792) 4.483 56.669 ( 0.000 -5.239 -0.853) 5.308 60.440 ( 0.000 -11.889 4.035) 12.555 60.520 ( 0.000 -15.775 -3.639) 16.189 ======================= Grid point 253 (90/96) ======================= q-point: ( 0.17 0.43 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 31.531 7.823 3.695) 32.697 3.157 ( 37.132 5.756 -0.996) 37.588 3.257 ( 4.505 6.636 3.464) 8.737 3.284 ( 2.344 6.364 0.244) 6.787 3.452 ( 1.318 3.414 2.126) 4.232 3.544 ( -0.978 -5.571 -4.734) 7.376 3.763 ( 0.824 -3.559 4.126) 5.510 3.856 ( -0.603 -5.921 -2.975) 6.654 3.965 ( -2.116 1.941 -1.955) 3.474 4.001 ( -1.169 -0.409 -3.729) 3.929 4.439 ( -0.403 7.028 6.669) 9.697 4.498 ( 2.525 6.553 0.462) 7.038 4.671 ( 9.106 1.668 5.353) 10.694 4.754 ( 10.171 -1.207 -0.042) 10.243 5.064 ( 3.394 4.959 -0.233) 6.014 5.152 ( 4.603 3.930 -6.749) 9.065 5.302 ( -0.409 -2.914 4.207) 5.134 5.396 ( 1.990 -5.155 -3.849) 6.734 5.629 ( -2.011 8.651 7.083) 11.360 5.645 ( 0.368 6.927 1.562) 7.110 5.669 ( 3.502 5.666 0.856) 6.716 5.779 ( -0.206 3.327 -1.810) 3.793 5.852 ( -1.675 5.749 -1.494) 6.172 5.874 ( 2.411 -1.273 -0.252) 2.738 5.926 ( 0.570 4.296 0.933) 4.433 6.031 ( -1.211 -0.245 -5.195) 5.340 6.391 ( -4.484 8.829 0.754) 9.931 6.437 ( -1.192 5.629 -2.347) 6.215 6.504 ( 2.660 4.226 -1.133) 5.120 6.525 ( 3.025 0.337 -2.467) 3.918 6.573 ( 0.380 3.817 1.316) 4.055 6.610 ( 1.252 2.650 -2.516) 3.862 6.998 ( -1.714 3.429 2.367) 4.506 7.024 ( -0.133 5.758 0.276) 5.766 7.426 ( -3.280 8.033 1.618) 8.826 7.450 ( -6.058 7.711 1.747) 9.961 7.498 ( -1.368 9.051 1.007) 9.209 7.616 ( 0.553 9.043 -7.008) 11.454 7.819 ( 6.101 -0.373 1.893) 6.399 7.844 ( 6.330 -1.983 -0.220) 6.637 7.998 ( 4.597 -3.661 0.166) 5.879 8.024 ( 3.102 -2.820 -1.906) 4.605 8.383 ( -1.668 9.823 3.818) 10.670 8.438 ( -0.698 10.851 -1.359) 10.958 8.965 ( -0.005 -8.063 5.745) 9.900 9.074 ( -1.140 -10.580 -4.834) 11.688 11.312 ( -37.973 -3.375 1.264) 38.144 11.339 ( -36.651 -4.679 -1.282) 36.971 15.852 ( 4.056 -0.003 0.407) 4.076 15.863 ( 4.413 -0.446 -0.585) 4.474 15.970 ( 2.090 -1.594 0.299) 2.646 15.974 ( 1.908 -1.731 -0.104) 2.578 17.261 ( 8.647 -0.444 0.182) 8.660 17.266 ( 8.532 -0.677 -0.297) 8.564 17.436 ( 4.849 -0.878 0.665) 4.972 17.452 ( 5.276 -1.680 -0.825) 5.598 21.637 ( 0.563 2.869 0.123) 2.927 21.643 ( 0.441 2.490 -0.380) 2.558 21.720 ( -0.786 4.058 0.074) 4.134 21.722 ( -0.707 3.981 -0.111) 4.045 25.830 ( 4.421 -0.296 0.164) 4.434 25.834 ( 4.418 -0.502 -0.231) 4.452 26.394 ( -4.308 -0.280 0.008) 4.318 26.395 ( -4.315 -0.352 -0.137) 4.331 33.586 ( 22.564 -1.851 0.664) 22.650 33.600 ( 22.486 -2.531 -0.739) 22.640 35.859 ( -10.020 -4.861 0.615) 11.154 35.869 ( -10.694 -5.288 -0.345) 11.935 38.126 ( 0.224 -1.001 2.326) 2.542 38.175 ( 0.214 -3.216 -2.312) 3.967 38.804 ( 2.732 0.991 -0.039) 2.906 38.808 ( 2.780 0.667 -0.374) 2.884 39.195 ( -12.659 -0.455 0.499) 12.677 39.197 ( -12.475 -0.385 0.257) 12.483 39.267 ( -6.460 -0.614 0.813) 6.540 39.287 ( -8.300 -2.530 -1.012) 8.736 43.607 ( 20.928 -0.464 0.497) 20.939 43.617 ( 21.233 -0.946 -0.476) 21.260 45.292 ( -8.482 -2.548 1.702) 9.019 45.326 ( -8.629 -4.297 -1.552) 9.764 56.899 ( 24.877 -4.979 1.175) 25.397 56.925 ( 25.610 -6.188 -1.267) 26.377 60.187 ( -25.370 -11.660 3.915) 28.194 60.265 ( -25.609 -15.437 -3.539) 30.111 ======================= Grid point 254 (91/96) ======================= q-point: ( 0.33 0.43 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 2.276 5.728 3.983) 7.339 3.291 ( 0.681 4.612 0.794) 4.729 3.426 ( 1.655 -0.030 4.813) 5.090 3.484 ( -1.540 -3.093 -0.422) 3.481 3.498 ( 1.444 6.865 3.342) 7.771 3.595 ( -0.390 5.054 -3.426) 6.118 3.815 ( -2.669 -2.567 -0.420) 3.727 3.842 ( -4.796 -3.931 -2.562) 6.710 4.146 ( 17.838 2.337 2.389) 18.148 4.230 ( 22.508 -1.507 -4.166) 22.940 4.502 ( 0.337 7.578 2.473) 7.978 4.540 ( 6.097 6.150 -0.456) 8.672 4.986 ( 19.421 4.113 2.881) 20.059 5.038 ( 18.124 3.337 -0.584) 18.438 5.135 ( 4.267 2.626 0.826) 5.077 5.217 ( 1.412 3.425 -5.670) 6.773 5.342 ( 5.746 1.726 5.851) 8.380 5.443 ( 4.727 1.662 -3.349) 6.027 5.632 ( 4.276 6.036 5.967) 9.504 5.673 ( 2.357 5.509 3.734) 7.060 5.717 ( 1.178 6.117 -2.099) 6.574 5.783 ( 0.755 6.038 -5.220) 8.017 5.786 ( -2.901 3.341 9.748) 10.705 5.926 ( 0.700 -0.272 -0.208) 0.779 5.973 ( 4.374 -3.705 -4.220) 7.118 6.018 ( 0.413 -2.449 -7.629) 8.023 6.285 ( -7.070 12.198 1.120) 14.143 6.365 ( -4.291 11.048 -6.557) 13.545 6.467 ( -7.350 0.369 1.648) 7.542 6.485 ( -7.036 1.998 -0.588) 7.337 6.643 ( 4.883 -0.737 1.231) 5.089 6.690 ( 3.422 -3.142 -3.541) 5.842 7.013 ( 4.884 5.266 3.704) 8.081 7.067 ( 4.716 5.213 -1.057) 7.109 7.299 ( -7.360 7.277 0.712) 10.374 7.341 ( -6.270 5.709 -2.985) 8.990 7.535 ( 5.608 9.750 5.761) 12.638 7.648 ( 3.301 8.540 -4.664) 10.275 7.921 ( 4.463 -4.792 5.072) 8.283 8.007 ( 5.144 -3.983 -2.607) 7.009 8.084 ( 4.922 6.975 2.607) 8.926 8.147 ( 7.603 6.648 -3.249) 10.609 8.390 ( 6.214 6.740 4.082) 10.035 8.475 ( 7.883 4.528 -4.311) 10.062 8.989 ( 3.983 -7.504 4.484) 9.606 9.070 ( 2.265 -9.234 -3.444) 10.112 10.350 ( -56.518 -2.892 2.475) 56.646 10.400 ( -55.542 -5.336 -2.320) 55.846 15.923 ( 2.578 0.298 0.291) 2.611 15.934 ( 2.189 0.001 -0.757) 2.316 16.012 ( 2.012 -3.178 0.408) 3.783 16.015 ( 1.893 -3.103 0.119) 3.637 17.446 ( 8.711 -0.436 0.162) 8.723 17.452 ( 8.918 -0.690 -0.414) 8.954 17.542 ( 4.805 -1.362 0.889) 5.073 17.561 ( 4.633 -2.285 -0.931) 5.249 21.653 ( 1.023 3.121 0.025) 3.284 21.656 ( 0.882 2.926 -0.205) 3.063 21.700 ( -1.200 3.846 0.102) 4.030 21.702 ( -1.205 3.747 -0.157) 3.939 25.949 ( 7.471 -0.062 0.122) 7.473 25.953 ( 7.455 -0.266 -0.259) 7.464 26.277 ( -7.379 -0.354 0.089) 7.389 26.279 ( -7.314 -0.480 -0.133) 7.331 34.177 ( 36.102 -3.593 0.821) 36.290 34.196 ( 36.420 -4.580 -0.957) 36.719 35.523 ( -25.173 -5.246 0.365) 25.716 35.530 ( -24.285 -5.644 -0.270) 24.934 38.185 ( 6.866 -1.568 2.181) 7.373 38.231 ( 6.537 -3.682 -2.176) 7.812 38.779 ( -16.719 -1.505 0.779) 16.805 38.800 ( -14.747 -2.110 -1.310) 14.955 38.926 ( 0.681 0.012 0.693) 0.972 38.933 ( 0.160 -0.540 0.093) 0.570 39.157 ( -6.120 1.933 0.351) 6.428 39.165 ( -6.232 1.326 -0.419) 6.386 44.107 ( 28.042 -1.116 0.833) 28.077 44.124 ( 28.404 -1.952 -0.777) 28.482 45.043 ( -17.043 -2.241 1.496) 17.255 45.073 ( -17.313 -3.774 -1.365) 17.772 57.583 ( 43.582 -6.365 1.902) 44.085 57.625 ( 44.449 -8.361 -2.106) 45.278 59.494 ( -43.935 -11.026 3.573) 45.439 59.565 ( -44.463 -14.442 -3.188) 46.858 ======================= Grid point 255 (92/96) ======================= q-point: (-0.50 0.43 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -0.526 4.205 1.509) 4.498 3.295 ( 0.526 4.205 1.509) 4.498 3.451 ( -1.133 -2.246 1.806) 3.097 3.451 ( 1.133 -2.246 1.806) 3.097 3.534 ( -3.788 6.921 3.645) 8.691 3.534 ( 3.788 6.921 3.645) 8.691 3.778 ( -1.076 -4.102 -3.241) 5.338 3.778 ( 1.076 -4.102 -3.241) 5.338 4.366 ( -5.930 8.144 0.095) 10.075 4.366 ( 5.930 8.144 0.095) 10.075 4.568 ( -4.534 -2.017 -0.089) 4.963 4.568 ( 4.534 -2.017 -0.089) 4.963 5.172 ( -3.645 5.991 0.431) 7.026 5.172 ( 3.645 5.991 0.431) 7.026 5.214 ( -0.750 4.076 -3.348) 5.328 5.214 ( 0.750 4.076 -3.348) 5.328 5.509 ( -4.962 5.775 4.289) 8.739 5.509 ( 4.962 5.775 4.289) 8.739 5.695 ( -2.683 6.184 5.856) 8.929 5.695 ( 2.683 6.184 5.856) 8.929 5.774 ( -4.126 5.311 0.021) 6.726 5.774 ( 4.126 5.311 0.021) 6.726 5.935 ( -9.070 -0.694 -4.489) 10.144 5.935 ( 9.070 -0.694 -4.489) 10.144 6.060 ( -9.600 2.242 0.221) 9.861 6.060 ( 9.601 2.242 0.221) 9.861 6.132 ( -11.290 -1.568 -4.279) 12.175 6.132 ( 11.290 -1.568 -4.279) 12.175 6.398 ( -1.482 8.655 -1.424) 8.895 6.398 ( 1.482 8.655 -1.424) 8.895 6.699 ( -1.375 -3.261 -0.856) 3.641 6.699 ( 1.375 -3.261 -0.856) 3.641 7.130 ( -3.030 5.813 -1.240) 6.672 7.130 ( 3.030 5.813 -1.240) 6.672 7.221 ( -3.297 5.405 -0.524) 6.353 7.221 ( 3.297 5.405 -0.524) 6.353 7.661 ( -4.234 9.230 3.872) 10.868 7.661 ( 4.234 9.230 3.872) 10.868 8.002 ( -3.381 -7.609 2.552) 8.708 8.002 ( 3.381 -7.609 2.552) 8.708 8.166 ( -2.991 18.201 -1.421) 18.500 8.166 ( 2.991 18.201 -1.421) 18.500 8.634 ( -4.455 -5.296 -2.157) 7.249 8.634 ( 4.455 -5.296 -2.157) 7.249 9.311 ( -19.406 -1.340 1.262) 19.493 9.311 ( 19.406 -1.340 1.262) 19.493 9.413 ( -20.100 -7.962 -0.470) 21.625 9.413 ( 20.100 -7.962 -0.470) 21.625 15.950 ( -0.297 0.363 -0.257) 0.535 15.950 ( 0.297 0.363 -0.257) 0.535 16.035 ( -0.062 -3.774 0.299) 3.786 16.035 ( 0.062 -3.774 0.299) 3.786 17.549 ( -0.579 -0.314 -0.043) 0.660 17.549 ( 0.579 -0.314 -0.043) 0.660 17.596 ( -0.984 -2.342 -0.106) 2.542 17.596 ( 0.984 -2.342 -0.106) 2.542 21.674 ( -0.545 3.508 -0.027) 3.551 21.674 ( 0.545 3.508 -0.027) 3.551 21.678 ( -0.615 3.376 -0.077) 3.432 21.678 ( 0.616 3.376 -0.077) 3.432 26.087 ( -0.571 1.041 -0.311) 1.227 26.087 ( 0.571 1.041 -0.311) 1.227 26.143 ( -0.528 -1.557 0.225) 1.660 26.143 ( 0.528 -1.557 0.225) 1.660 34.905 ( -27.918 -4.638 0.618) 28.308 34.905 ( 27.918 -4.638 0.618) 28.307 34.930 ( -27.599 -6.046 -0.696) 28.262 34.930 ( 27.599 -6.046 -0.696) 28.262 38.396 ( -8.023 -1.182 0.591) 8.131 38.396 ( 8.023 -1.182 0.591) 8.131 38.473 ( -7.477 -4.861 -0.544) 8.935 38.473 ( 7.477 -4.861 -0.544) 8.935 39.028 ( -4.280 1.919 0.201) 4.695 39.028 ( 4.280 1.919 0.201) 4.695 39.038 ( -4.333 1.158 -0.139) 4.487 39.038 ( 4.333 1.158 -0.139) 4.487 44.629 ( -18.465 -1.496 0.833) 18.544 44.629 ( 18.465 -1.496 0.833) 18.544 44.661 ( -18.810 -3.213 -0.737) 19.097 44.661 ( 18.810 -3.213 -0.737) 19.097 58.455 ( -13.259 -4.725 -0.259) 14.078 58.455 ( 13.259 -4.725 -0.259) 14.078 58.677 ( -14.018 -15.863 0.323) 21.172 58.677 ( 14.019 -15.863 0.323) 21.173 ======================= Grid point 259 (93/96) ======================= q-point: ( 0.00 -0.50 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 0.000 -0.430 -0.095) 0.440 2.735 ( 0.000 0.430 -0.095) 0.440 3.361 ( 0.000 -2.369 -0.369) 2.398 3.361 ( 0.000 2.369 -0.369) 2.398 3.450 ( 0.000 -0.038 0.082) 0.090 3.450 ( 0.000 0.038 0.082) 0.090 3.790 ( 0.000 -4.336 0.042) 4.336 3.790 ( 0.000 4.336 0.042) 4.336 4.026 ( 0.000 -1.136 0.087) 1.139 4.026 ( 0.000 1.136 0.087) 1.139 4.525 ( 0.000 -0.433 0.848) 0.952 4.525 ( 0.000 0.433 0.848) 0.952 4.610 ( 0.000 -0.520 6.070) 6.092 4.610 ( 0.000 0.520 6.070) 6.092 5.162 ( 0.000 -8.508 0.435) 8.519 5.162 ( 0.000 8.508 0.435) 8.519 5.209 ( 0.000 -5.596 -4.875) 7.422 5.209 ( 0.000 5.596 -4.875) 7.422 5.699 ( 0.000 -0.242 1.035) 1.063 5.699 ( 0.000 0.242 1.035) 1.063 5.819 ( 0.000 -2.901 4.009) 4.948 5.819 ( 0.000 2.901 4.009) 4.948 5.849 ( 0.000 -2.537 -0.534) 2.592 5.849 ( 0.000 2.537 -0.534) 2.592 6.043 ( 0.000 -1.907 -3.765) 4.220 6.043 ( 0.000 1.907 -3.765) 4.220 6.409 ( 0.000 -0.588 -2.637) 2.702 6.409 ( 0.000 0.588 -2.637) 2.702 6.545 ( 0.000 -0.134 0.777) 0.789 6.545 ( 0.000 0.134 0.777) 0.789 6.688 ( 0.000 -1.441 -1.213) 1.884 6.688 ( 0.000 1.441 -1.213) 1.884 7.076 ( 0.000 -1.544 2.398) 2.852 7.076 ( 0.000 1.544 2.398) 2.852 7.570 ( 0.000 -1.185 5.681) 5.803 7.570 ( 0.000 1.185 5.681) 5.803 7.735 ( 0.000 -0.177 -4.636) 4.640 7.735 ( 0.000 0.177 -4.636) 4.639 7.770 ( 0.000 -3.344 -1.995) 3.893 7.770 ( 0.000 3.344 -1.995) 3.894 7.818 ( 0.000 -1.669 -1.805) 2.458 7.818 ( 0.000 1.669 -1.805) 2.458 8.607 ( 0.000 -3.976 1.590) 4.282 8.607 ( 0.000 3.976 1.590) 4.282 8.872 ( 0.000 -5.615 0.292) 5.622 8.872 ( 0.000 5.615 0.292) 5.622 11.666 ( 0.000 -0.006 -0.028) 0.029 11.666 ( 0.000 0.006 -0.028) 0.029 15.806 ( 0.000 -0.114 0.061) 0.129 15.806 ( 0.000 0.114 0.061) 0.129 15.938 ( 0.000 -0.187 -0.051) 0.193 15.938 ( 0.000 0.187 -0.051) 0.194 17.165 ( 0.000 -0.164 -0.004) 0.164 17.165 ( 0.000 0.164 -0.004) 0.164 17.380 ( 0.000 -0.207 -0.094) 0.228 17.380 ( 0.000 0.208 -0.094) 0.228 21.661 ( 0.000 -0.123 -0.107) 0.163 21.661 ( 0.000 0.123 -0.107) 0.163 21.771 ( 0.000 -0.002 -0.019) 0.019 21.771 ( 0.000 0.002 -0.019) 0.019 25.783 ( 0.000 -0.102 -0.002) 0.102 25.783 ( 0.000 0.102 -0.002) 0.102 26.434 ( 0.000 -0.048 -0.068) 0.083 26.434 ( 0.000 0.048 -0.068) 0.083 33.352 ( 0.000 -0.426 -0.008) 0.426 33.352 ( 0.000 0.426 -0.008) 0.426 35.909 ( 0.000 -0.425 0.110) 0.439 35.909 ( 0.000 0.425 0.110) 0.439 38.137 ( 0.000 -1.224 -0.015) 1.224 38.137 ( 0.000 1.224 -0.015) 1.224 38.783 ( 0.000 -0.014 -0.098) 0.099 38.783 ( 0.000 0.014 -0.098) 0.099 39.311 ( 0.000 -0.568 0.193) 0.600 39.311 ( 0.000 0.568 0.193) 0.600 39.352 ( 0.000 -0.882 -0.062) 0.884 39.352 ( 0.000 0.882 -0.062) 0.884 43.386 ( 0.000 -0.169 0.003) 0.169 43.386 ( 0.000 0.169 0.003) 0.169 45.356 ( 0.000 -0.845 0.056) 0.847 45.356 ( 0.000 0.845 0.056) 0.847 56.611 ( 0.000 -0.424 0.014) 0.424 56.611 ( 0.000 0.424 0.014) 0.425 60.338 ( 0.000 -1.972 0.110) 1.975 60.338 ( 0.000 1.972 0.110) 1.975 ======================= Grid point 261 (94/96) ======================= q-point: ( 0.17 -0.50 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 31.627 -1.250 1.114) 31.671 3.187 ( 31.627 1.250 1.114) 31.671 3.371 ( 1.117 -3.503 -0.833) 3.770 3.371 ( 1.117 3.503 -0.833) 3.770 3.489 ( 9.370 -2.302 -0.050) 9.649 3.489 ( 9.370 2.302 -0.050) 9.649 3.729 ( -4.894 -3.778 0.772) 6.231 3.729 ( -4.894 3.778 0.772) 6.231 3.993 ( -2.602 -0.787 -1.856) 3.292 3.993 ( -2.602 0.787 -1.856) 3.292 4.555 ( 3.713 -2.791 5.055) 6.865 4.555 ( 3.713 2.791 5.054) 6.865 4.704 ( 9.340 -2.959 2.395) 10.086 4.704 ( 9.340 2.959 2.395) 10.086 5.176 ( 0.485 -5.485 -2.175) 5.921 5.176 ( 0.485 5.485 -2.175) 5.921 5.266 ( 6.062 -5.156 -2.413) 8.316 5.266 ( 6.062 5.156 -2.413) 8.316 5.711 ( 1.261 -0.600 2.011) 2.448 5.711 ( 1.261 0.600 2.011) 2.448 5.777 ( -2.601 -3.582 5.537) 7.089 5.777 ( -2.601 3.582 5.537) 7.089 5.880 ( 1.687 -1.221 -3.628) 4.184 5.880 ( 1.687 1.221 -3.628) 4.184 6.016 ( -2.595 -2.287 -2.852) 4.483 6.016 ( -2.595 2.287 -2.852) 4.483 6.477 ( 5.915 -1.084 -1.814) 6.281 6.477 ( 5.915 1.084 -1.814) 6.281 6.526 ( -1.592 -0.434 0.177) 1.659 6.526 ( -1.592 0.434 0.177) 1.659 6.649 ( -4.144 -0.947 -1.508) 4.510 6.649 ( -4.144 0.947 -1.508) 4.510 7.062 ( -0.586 -1.881 2.469) 3.159 7.062 ( -0.586 1.882 2.469) 3.159 7.519 ( -4.789 -0.920 2.329) 5.404 7.519 ( -4.789 0.921 2.329) 5.404 7.665 ( -2.705 -5.241 -3.172) 6.697 7.665 ( -2.706 5.241 -3.172) 6.697 7.861 ( 4.511 -0.951 -1.031) 4.724 7.861 ( 4.511 0.952 -1.031) 4.724 7.902 ( 8.777 -2.767 -0.437) 9.214 7.902 ( 8.777 2.768 -0.437) 9.214 8.599 ( -0.813 -4.075 1.132) 4.307 8.599 ( -0.813 4.075 1.132) 4.307 8.864 ( -0.461 -5.289 0.288) 5.317 8.864 ( -0.461 5.289 0.288) 5.317 11.284 ( -37.311 -0.652 -0.031) 37.316 11.284 ( -37.311 0.652 -0.031) 37.316 15.856 ( 4.303 -0.272 0.059) 4.312 15.856 ( 4.303 0.273 0.059) 4.312 15.954 ( 1.293 -0.122 -0.038) 1.299 15.954 ( 1.293 0.122 -0.038) 1.299 17.258 ( 8.641 -0.126 -0.012) 8.642 17.258 ( 8.641 0.126 -0.012) 8.642 17.431 ( 4.775 -0.371 -0.091) 4.791 17.431 ( 4.775 0.371 -0.091) 4.791 21.668 ( 0.636 -0.096 -0.096) 0.650 21.668 ( 0.636 0.096 -0.096) 0.650 21.762 ( -0.827 -0.052 -0.021) 0.829 21.762 ( -0.827 0.052 -0.021) 0.829 25.828 ( 4.504 -0.100 -0.005) 4.505 25.828 ( 4.504 0.100 -0.005) 4.505 26.391 ( -4.331 -0.039 -0.063) 4.332 26.391 ( -4.331 0.039 -0.063) 4.332 33.570 ( 21.646 -0.368 -0.017) 21.649 33.570 ( 21.646 0.368 -0.017) 21.649 35.812 ( -10.528 -0.258 0.087) 10.531 35.812 ( -10.528 0.258 0.087) 10.531 38.128 ( -0.107 -1.224 -0.009) 1.229 38.128 ( -0.107 1.224 -0.009) 1.229 38.815 ( 3.113 -0.048 -0.144) 3.117 38.815 ( 3.113 0.048 -0.144) 3.117 39.175 ( -16.261 -0.291 0.241) 16.265 39.175 ( -16.261 0.291 0.241) 16.265 39.277 ( -3.604 -0.231 -0.065) 3.612 39.277 ( -3.604 0.231 -0.065) 3.612 43.605 ( 20.696 -0.253 0.009) 20.698 43.605 ( 20.696 0.253 0.009) 20.698 45.274 ( -8.402 -0.811 0.053) 8.441 45.274 ( -8.402 0.811 0.053) 8.441 56.854 ( 24.505 -0.634 0.013) 24.513 56.854 ( 24.505 0.634 0.013) 24.513 60.087 ( -25.180 -1.915 0.097) 25.253 60.087 ( -25.180 1.915 0.097) 25.253 ======================= Grid point 263 (95/96) ======================= q-point: ( 0.33 -0.50 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 1.101 -3.846 1.524) 4.281 3.369 ( 1.101 3.846 1.524) 4.281 3.389 ( -0.028 -5.082 -0.276) 5.089 3.389 ( -0.028 5.082 -0.276) 5.089 3.651 ( -2.045 -3.787 0.754) 4.370 3.651 ( -2.045 3.788 0.754) 4.370 3.763 ( -2.471 -1.282 0.463) 2.822 3.763 ( -2.471 1.282 0.463) 2.822 4.188 ( 22.970 -2.084 -1.837) 23.137 4.188 ( 22.970 2.084 -1.838) 23.137 4.606 ( -0.755 -1.191 2.417) 2.798 4.606 ( -0.755 1.191 2.417) 2.799 5.036 ( 22.011 -1.712 3.739) 22.392 5.036 ( 22.011 1.712 3.739) 22.392 5.205 ( 3.033 -3.255 -4.323) 6.204 5.205 ( 3.033 3.255 -4.323) 6.204 5.407 ( 9.687 -3.574 0.457) 10.335 5.407 ( 9.687 3.574 0.457) 10.335 5.734 ( -1.301 -2.613 9.493) 9.931 5.734 ( -1.301 2.613 9.493) 9.932 5.764 ( 4.513 -1.168 1.498) 4.897 5.764 ( 4.513 1.168 1.498) 4.897 5.902 ( 0.573 -2.806 -6.468) 7.074 5.902 ( 0.573 2.806 -6.468) 7.074 5.959 ( -2.403 -3.369 -4.683) 6.249 5.959 ( -2.403 3.369 -4.683) 6.250 6.439 ( -11.314 -2.238 0.073) 11.534 6.439 ( -11.314 2.238 0.073) 11.534 6.543 ( 0.098 -4.379 0.613) 4.422 6.543 ( 0.098 4.379 0.613) 4.423 6.598 ( 1.430 -3.897 -3.367) 5.345 6.598 ( 1.430 3.897 -3.367) 5.345 7.104 ( 5.515 -2.090 1.423) 6.067 7.104 ( 5.515 2.090 1.423) 6.067 7.387 ( -7.935 -1.321 -1.896) 8.264 7.387 ( -7.934 1.321 -1.896) 8.264 7.699 ( 6.140 -5.040 2.550) 8.343 7.699 ( 6.140 5.040 2.550) 8.343 7.903 ( -0.220 -4.538 0.005) 4.544 7.903 ( -0.220 4.539 0.005) 4.544 8.158 ( 17.249 -2.159 -0.721) 17.399 8.158 ( 17.249 2.159 -0.721) 17.399 8.572 ( -2.295 -3.397 -0.334) 4.113 8.572 ( -2.295 3.397 -0.334) 4.113 8.895 ( 6.026 -3.576 0.510) 7.025 8.895 ( 6.026 3.576 0.510) 7.025 10.332 ( -56.144 -1.227 -0.021) 56.158 10.332 ( -56.144 1.227 -0.021) 56.158 15.936 ( 3.240 -0.433 0.048) 3.269 15.936 ( 3.240 0.433 0.048) 3.269 15.975 ( 0.652 -0.234 -0.008) 0.693 15.975 ( 0.652 0.234 -0.008) 0.693 17.445 ( 8.898 -0.157 -0.033) 8.899 17.445 ( 8.898 0.158 -0.033) 8.899 17.532 ( 4.386 -0.469 -0.077) 4.412 17.532 ( 4.386 0.469 -0.077) 4.412 21.686 ( 1.175 -0.040 -0.071) 1.178 21.686 ( 1.175 0.040 -0.071) 1.178 21.740 ( -1.367 -0.075 -0.028) 1.369 21.740 ( -1.367 0.075 -0.028) 1.369 25.949 ( 7.650 -0.095 -0.016) 7.651 25.949 ( 7.650 0.095 -0.016) 7.651 26.273 ( -7.472 -0.053 -0.049) 7.472 26.273 ( -7.472 0.053 -0.049) 7.472 34.144 ( 35.325 -0.436 -0.028) 35.328 34.144 ( 35.325 0.436 -0.028) 35.328 35.470 ( -24.876 -0.146 0.033) 24.876 35.470 ( -24.876 0.146 0.033) 24.876 38.180 ( 6.562 -1.140 0.001) 6.660 38.180 ( 6.562 1.140 0.001) 6.660 38.765 ( -18.753 -0.615 -0.214) 18.764 38.765 ( -18.753 0.615 -0.214) 18.764 38.931 ( 3.611 -0.108 0.252) 3.622 38.931 ( 3.611 0.108 0.252) 3.622 39.180 ( -6.106 -0.152 -0.000) 6.108 39.180 ( -6.106 0.152 -0.000) 6.108 44.100 ( 27.775 -0.409 0.021) 27.778 44.100 ( 27.775 0.409 0.021) 27.778 45.027 ( -16.900 -0.714 0.045) 16.915 45.027 ( -16.900 0.714 0.045) 16.915 57.528 ( 43.071 -1.037 0.017) 43.083 57.528 ( 43.071 1.038 0.017) 43.083 59.399 ( -43.694 -1.739 0.066) 43.729 59.399 ( -43.694 1.739 0.066) 43.729 ======================= Grid point 265 (96/96) ======================= q-point: (-0.50 -0.50 0.40) 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 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -0.500 -4.112 0.750) 4.209 3.382 ( 0.500 -4.112 0.750) 4.209 3.382 ( -0.499 4.112 0.750) 4.210 3.382 ( 0.500 4.112 0.750) 4.210 3.671 ( -2.710 -5.994 0.376) 6.589 3.671 ( 0.814 -5.853 0.376) 5.921 3.671 ( -0.814 5.853 0.376) 5.921 3.671 ( 2.710 5.994 0.376) 6.589 4.500 ( -8.912 -4.249 0.646) 9.894 4.500 ( -4.974 -2.095 0.646) 5.436 4.500 ( 4.975 2.095 0.646) 5.436 4.500 ( 8.912 4.250 0.646) 9.894 5.236 ( -2.183 -0.934 -2.351) 3.342 5.236 ( -1.501 -0.493 -2.351) 2.832 5.236 ( 1.501 0.493 -2.351) 2.832 5.236 ( 2.184 0.934 -2.351) 3.342 5.656 ( -5.202 -6.024 9.492) 12.387 5.656 ( -3.284 -5.676 9.492) 11.537 5.656 ( 3.284 5.676 9.492) 11.537 5.656 ( 5.202 6.024 9.492) 12.387 5.888 ( -2.488 -3.725 -5.779) 7.312 5.888 ( 2.469 -3.722 -5.779) 7.303 5.888 ( -2.469 3.722 -5.779) 7.303 5.888 ( 2.488 3.725 -5.779) 7.312 6.095 ( -20.316 -1.651 -1.400) 20.431 6.095 ( -20.273 1.515 -1.400) 20.378 6.095 ( 20.274 -1.515 -1.400) 20.378 6.095 ( 20.316 1.652 -1.400) 20.431 6.580 ( -1.201 -7.835 -2.005) 8.176 6.580 ( 0.442 -7.815 -2.005) 8.080 6.580 ( -0.442 7.815 -2.005) 8.081 6.580 ( 1.201 7.835 -2.005) 8.176 7.238 ( -6.250 -2.911 -0.779) 6.939 7.238 ( -4.106 -1.710 -0.779) 4.516 7.238 ( 4.106 1.710 -0.779) 4.516 7.238 ( 6.250 2.911 -0.779) 6.939 7.841 ( -4.818 -7.948 3.468) 9.920 7.841 ( 1.679 -7.621 3.468) 8.539 7.841 ( -1.679 7.621 3.467) 8.540 7.841 ( 4.818 7.948 3.468) 9.920 8.473 ( -6.031 -10.481 -1.923) 12.245 8.473 ( -1.863 -10.081 -1.923) 10.431 8.473 ( 1.863 10.081 -1.923) 10.431 8.473 ( 6.031 10.481 -1.923) 12.245 9.309 ( -41.170 -1.407 0.323) 41.195 9.309 ( -41.136 1.132 0.323) 41.152 9.309 ( 41.136 -1.132 0.323) 41.153 9.309 ( 41.170 1.407 0.323) 41.195 15.975 ( -0.308 -2.034 0.025) 2.057 15.975 ( 0.001 -2.028 0.025) 2.029 15.975 ( -0.001 2.028 0.025) 2.029 15.975 ( 0.308 2.034 0.025) 2.058 17.559 ( -1.739 -0.998 -0.056) 2.006 17.559 ( -1.215 -0.780 -0.056) 1.445 17.559 ( 1.215 0.780 -0.056) 1.445 17.559 ( 1.739 0.998 -0.056) 2.006 21.712 ( -1.460 -0.065 -0.045) 1.462 21.712 ( -1.456 0.041 -0.045) 1.458 21.712 ( 1.456 -0.041 -0.045) 1.458 21.712 ( 1.460 0.066 -0.045) 1.462 26.112 ( -8.285 -0.489 -0.031) 8.299 26.112 ( -8.256 -0.349 -0.031) 8.264 26.112 ( 8.256 0.349 -0.031) 8.264 26.112 ( 8.285 0.489 -0.031) 8.299 34.863 ( -35.997 -0.456 -0.013) 36.000 34.863 ( -35.997 0.441 -0.013) 35.999 34.863 ( 35.997 -0.441 -0.013) 35.999 34.863 ( 35.997 0.456 -0.013) 36.000 38.402 ( -15.682 -1.210 -0.014) 15.729 38.402 ( -15.531 0.533 -0.014) 15.540 38.402 ( 15.531 -0.533 -0.014) 15.540 38.402 ( 15.682 1.210 -0.014) 15.729 39.050 ( -6.893 -0.131 0.037) 6.894 39.050 ( -6.892 0.119 0.037) 6.893 39.050 ( 6.892 -0.119 0.037) 6.893 39.050 ( 6.893 0.132 0.037) 6.894 44.620 ( -24.455 -0.589 0.034) 24.462 44.620 ( -24.452 0.553 0.034) 24.458 44.620 ( 24.452 -0.553 0.034) 24.458 44.620 ( 24.455 0.589 0.034) 24.462 58.460 ( -49.380 -2.389 0.035) 49.438 58.460 ( -49.152 0.313 0.035) 49.153 58.460 ( 49.152 -0.312 0.035) 49.153 58.460 ( 49.380 2.389 0.035) 49.438 =================== 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 3/35280 10.0 91.034 114.928 56.568 0.000 0.000 0.000 3/35280 20.0 58.984 81.835 30.759 0.000 0.000 0.000 3/35280 30.0 33.438 40.046 16.223 0.000 0.000 0.000 3/35280 40.0 20.068 23.738 9.609 0.000 0.000 0.000 3/35280 50.0 13.595 16.428 6.499 0.000 0.000 0.000 3/35280 60.0 10.138 12.567 4.841 0.000 0.000 0.000 3/35280 70.0 8.095 10.242 3.852 0.000 0.000 0.000 3/35280 80.0 6.786 8.696 3.206 0.000 0.000 0.000 3/35280 90.0 5.893 7.589 2.754 0.000 0.000 0.000 3/35280 100.0 5.250 6.753 2.421 0.000 0.000 0.000 3/35280 110.0 4.767 6.095 2.164 0.000 0.000 0.000 3/35280 120.0 4.388 5.562 1.960 0.000 0.000 0.000 3/35280 130.0 4.082 5.120 1.794 0.000 0.000 0.000 3/35280 140.0 3.828 4.746 1.656 0.000 0.000 0.000 3/35280 150.0 3.611 4.426 1.538 0.000 0.000 0.000 3/35280 160.0 3.423 4.147 1.437 0.000 0.000 0.000 3/35280 170.0 3.258 3.903 1.350 0.000 0.000 0.000 3/35280 180.0 3.112 3.687 1.273 0.000 0.000 0.000 3/35280 190.0 2.980 3.495 1.205 0.000 0.000 0.000 3/35280 200.0 2.861 3.322 1.144 0.000 0.000 0.000 3/35280 210.0 2.752 3.167 1.089 0.000 0.000 0.000 3/35280 220.0 2.653 3.025 1.040 0.000 0.000 0.000 3/35280 230.0 2.562 2.897 0.995 0.000 0.000 0.000 3/35280 240.0 2.478 2.779 0.954 0.000 0.000 0.000 3/35280 250.0 2.400 2.671 0.916 0.000 0.000 0.000 3/35280 260.0 2.328 2.571 0.882 0.000 0.000 0.000 3/35280 270.0 2.261 2.479 0.850 0.000 0.000 0.000 3/35280 280.0 2.198 2.394 0.820 0.000 0.000 0.000 3/35280 290.0 2.140 2.314 0.793 0.000 0.000 0.000 3/35280 300.0 2.085 2.240 0.767 0.000 0.000 0.000 3/35280 310.0 2.034 2.171 0.743 0.000 0.000 0.000 3/35280 320.0 1.986 2.106 0.721 0.000 0.000 0.000 3/35280 330.0 1.940 2.046 0.700 0.000 0.000 0.000 3/35280 340.0 1.897 1.988 0.680 0.000 0.000 0.000 3/35280 350.0 1.857 1.935 0.662 0.000 0.000 0.000 3/35280 360.0 1.818 1.884 0.644 0.000 0.000 0.000 3/35280 370.0 1.782 1.836 0.628 0.000 0.000 0.000 3/35280 380.0 1.747 1.790 0.612 0.000 0.000 0.000 3/35280 390.0 1.714 1.747 0.597 0.000 0.000 0.000 3/35280 400.0 1.682 1.706 0.583 0.000 0.000 0.000 3/35280 410.0 1.652 1.667 0.569 0.000 0.000 0.000 3/35280 420.0 1.623 1.630 0.556 0.000 0.000 0.000 3/35280 430.0 1.595 1.594 0.544 0.000 0.000 0.000 3/35280 440.0 1.568 1.560 0.532 0.000 0.000 0.000 3/35280 450.0 1.543 1.528 0.521 0.000 0.000 0.000 3/35280 460.0 1.518 1.497 0.510 0.000 0.000 0.000 3/35280 470.0 1.494 1.467 0.500 0.000 0.000 0.000 3/35280 480.0 1.471 1.439 0.490 0.000 0.000 0.000 3/35280 490.0 1.449 1.412 0.481 0.000 0.000 0.000 3/35280 500.0 1.428 1.385 0.472 0.000 0.000 0.000 3/35280 510.0 1.407 1.360 0.463 0.000 0.000 0.000 3/35280 520.0 1.387 1.336 0.455 0.000 0.000 0.000 3/35280 530.0 1.367 1.312 0.446 0.000 0.000 0.000 3/35280 540.0 1.349 1.290 0.439 0.000 0.000 0.000 3/35280 550.0 1.330 1.268 0.431 0.000 0.000 0.000 3/35280 560.0 1.313 1.247 0.424 0.000 0.000 0.000 3/35280 570.0 1.295 1.227 0.417 0.000 0.000 0.000 3/35280 580.0 1.278 1.207 0.410 0.000 0.000 0.000 3/35280 590.0 1.262 1.188 0.403 0.000 0.000 0.000 3/35280 600.0 1.246 1.170 0.397 0.000 0.000 0.000 3/35280 610.0 1.231 1.152 0.391 0.000 0.000 0.000 3/35280 620.0 1.215 1.135 0.385 0.000 0.000 0.000 3/35280 630.0 1.201 1.118 0.379 0.000 0.000 0.000 3/35280 640.0 1.186 1.102 0.373 0.000 0.000 0.000 3/35280 650.0 1.172 1.086 0.368 0.000 0.000 0.000 3/35280 660.0 1.159 1.071 0.363 0.000 0.000 0.000 3/35280 670.0 1.145 1.056 0.358 0.000 0.000 0.000 3/35280 680.0 1.132 1.042 0.353 0.000 0.000 0.000 3/35280 690.0 1.119 1.028 0.348 0.000 0.000 0.000 3/35280 700.0 1.107 1.014 0.343 0.000 0.000 0.000 3/35280 710.0 1.094 1.001 0.338 0.000 0.000 0.000 3/35280 720.0 1.082 0.988 0.334 0.000 0.000 0.000 3/35280 730.0 1.071 0.975 0.329 0.000 0.000 0.000 3/35280 740.0 1.059 0.963 0.325 0.000 0.000 0.000 3/35280 750.0 1.048 0.951 0.321 0.000 0.000 0.000 3/35280 760.0 1.037 0.939 0.317 0.000 0.000 0.000 3/35280 770.0 1.026 0.928 0.313 0.000 0.000 0.000 3/35280 780.0 1.016 0.917 0.309 0.000 0.000 0.000 3/35280 790.0 1.005 0.906 0.306 0.000 0.000 0.000 3/35280 800.0 0.995 0.895 0.302 0.000 0.000 0.000 3/35280 810.0 0.985 0.885 0.298 0.000 0.000 0.000 3/35280 820.0 0.976 0.875 0.295 0.000 0.000 0.000 3/35280 830.0 0.966 0.865 0.291 0.000 0.000 0.000 3/35280 840.0 0.957 0.856 0.288 0.000 0.000 0.000 3/35280 850.0 0.947 0.846 0.285 0.000 0.000 0.000 3/35280 860.0 0.938 0.837 0.282 0.000 0.000 0.000 3/35280 870.0 0.929 0.828 0.279 0.000 0.000 0.000 3/35280 880.0 0.921 0.819 0.275 0.000 0.000 0.000 3/35280 890.0 0.912 0.811 0.273 0.000 0.000 0.000 3/35280 900.0 0.904 0.802 0.270 0.000 0.000 0.000 3/35280 910.0 0.895 0.794 0.267 0.000 0.000 0.000 3/35280 920.0 0.887 0.786 0.264 0.000 0.000 0.000 3/35280 930.0 0.879 0.778 0.261 0.000 0.000 0.000 3/35280 940.0 0.872 0.770 0.259 0.000 0.000 0.000 3/35280 950.0 0.864 0.763 0.256 0.000 0.000 0.000 3/35280 960.0 0.856 0.755 0.253 0.000 0.000 0.000 3/35280 970.0 0.849 0.748 0.251 0.000 0.000 0.000 3/35280 980.0 0.841 0.741 0.248 0.000 0.000 0.000 3/35280 990.0 0.834 0.734 0.246 0.000 0.000 0.000 3/35280 1000.0 0.827 0.727 0.244 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m6145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:32:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|