----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:00:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.466606779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.604548960000000 2.547162115000000 c 0.000000000000000 -4.604548960000000 2.547162115000000 Atomic positions (fractional): *1 O 0.75000000000000 0.53676964729319 0.16072828191750 15.999 2 O 0.25000000000000 0.16072828191750 0.53676964729319 15.999 *3 O 0.50000000000000 0.35143697013379 0.35143697013379 15.999 4 O 0.00000000000000 0.35143697013379 0.35143697013379 15.999 *5 O 0.55551737831331 0.00164504291873 0.62461502538865 15.999 6 O 0.44448262168669 0.62461502538865 0.00164504291873 15.999 7 O 0.05551737831331 0.62461502538865 0.00164504291873 15.999 8 O 0.94448262168669 0.00164504291873 0.62461502538865 15.999 *9 Al 0.55407921997599 0.64037220294061 0.29572348340886 26.982 10 Al 0.44592078002401 0.29572348340886 0.64037220294061 26.982 11 Al 0.94592078002401 0.64037220294061 0.29572348340886 26.982 12 Al 0.05407921997599 0.29572348340886 0.64037220294061 26.982 *13 Pb 0.75000000000000 0.02995896937624 0.97495781183186 207.200 14 Pb 0.25000000000000 0.97495781183186 0.02995896937624 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.466606779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.209097920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.094324230000000 Atomic positions (fractional): *1 O 0.75000000000000 0.18802068268784 0.34874896460534 15.999 > 1 2 O 0.25000000000000 0.31197931731216 0.84874896460534 15.999 > 2 *3 O 0.50000000000000 0.00000000000000 0.35143697013379 15.999 > 3 4 O 0.00000000000000 0.00000000000000 0.35143697013379 15.999 > 4 *5 O 0.55551737831331 0.18851500876504 0.81313003415369 15.999 > 5 6 O 0.44448262168669 0.31148499123496 0.31313003415369 15.999 > 6 7 O 0.05551737831331 0.31148499123496 0.31313003415369 15.999 > 7 8 O 0.94448262168669 0.18851500876504 0.81313003415369 15.999 > 8 9 O 0.75000000000000 0.68802068268784 0.84874896460534 15.999 > 1 10 O 0.25000000000000 0.81197931731216 0.34874896460534 15.999 > 2 11 O 0.50000000000000 0.50000000000000 0.85143697013379 15.999 > 3 12 O 0.00000000000000 0.50000000000000 0.85143697013379 15.999 > 4 13 O 0.55551737831331 0.68851500876504 0.31313003415369 15.999 > 5 14 O 0.44448262168669 0.81148499123496 0.81313003415369 15.999 > 6 15 O 0.05551737831331 0.81148499123496 0.81313003415369 15.999 > 7 16 O 0.94448262168669 0.68851500876504 0.31313003415369 15.999 > 8 *17 Al 0.55407921997599 0.17232435976587 0.46804784317473 26.982 > 9 18 Al 0.44592078002401 0.32767564023413 0.96804784317473 26.982 > 10 19 Al 0.94592078002401 0.17232435976587 0.46804784317473 26.982 > 11 20 Al 0.05407921997599 0.32767564023413 0.96804784317473 26.982 > 12 21 Al 0.55407921997599 0.67232435976587 0.96804784317473 26.982 > 9 22 Al 0.44592078002401 0.82767564023413 0.46804784317473 26.982 > 10 23 Al 0.94592078002401 0.67232435976587 0.96804784317473 26.982 > 11 24 Al 0.05407921997599 0.82767564023413 0.46804784317473 26.982 > 12 *25 Pb 0.75000000000000 0.02750057877219 0.00245839060405 207.200 > 13 26 Pb 0.25000000000000 0.47249942122781 0.50245839060405 207.200 > 14 27 Pb 0.75000000000000 0.52750057877219 0.50245839060405 207.200 > 13 28 Pb 0.25000000000000 0.97249942122781 0.00245839060405 207.200 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.933213559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.209097920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.188648460000000 Atomic positions (fractional): *1 O 0.37500000000000 0.18802068268784 0.17437448230267 15.999 > 1 2 O 0.87500000000000 0.18802068268784 0.17437448230267 15.999 > 1 3 O 0.37500000000000 0.18802068268784 0.67437448230267 15.999 > 1 4 O 0.87500000000000 0.18802068268784 0.67437448230267 15.999 > 1 5 O 0.12500000000000 0.31197931731216 0.42437448230267 15.999 > 2 6 O 0.62500000000000 0.31197931731216 0.42437448230267 15.999 > 2 7 O 0.12500000000000 0.31197931731216 0.92437448230267 15.999 > 2 8 O 0.62500000000000 0.31197931731216 0.92437448230267 15.999 > 2 *9 O 0.25000000000000 0.00000000000000 0.17571848506689 15.999 > 3 10 O 0.75000000000000 0.00000000000000 0.17571848506689 15.999 > 3 11 O 0.25000000000000 0.00000000000000 0.67571848506689 15.999 > 3 12 O 0.75000000000000 0.00000000000000 0.67571848506689 15.999 > 3 13 O 0.00000000000000 0.00000000000000 0.17571848506689 15.999 > 4 14 O 0.50000000000000 0.00000000000000 0.17571848506689 15.999 > 4 15 O 0.00000000000000 0.00000000000000 0.67571848506689 15.999 > 4 16 O 0.50000000000000 0.00000000000000 0.67571848506689 15.999 > 4 *17 O 0.27775868915666 0.18851500876504 0.40656501707685 15.999 > 5 18 O 0.77775868915666 0.18851500876504 0.40656501707685 15.999 > 5 19 O 0.27775868915666 0.18851500876504 0.90656501707685 15.999 > 5 20 O 0.77775868915666 0.18851500876504 0.90656501707685 15.999 > 5 21 O 0.22224131084334 0.31148499123496 0.15656501707685 15.999 > 6 22 O 0.72224131084334 0.31148499123496 0.15656501707685 15.999 > 6 23 O 0.22224131084334 0.31148499123496 0.65656501707685 15.999 > 6 24 O 0.72224131084334 0.31148499123496 0.65656501707685 15.999 > 6 25 O 0.02775868915666 0.31148499123496 0.15656501707685 15.999 > 7 26 O 0.52775868915666 0.31148499123496 0.15656501707685 15.999 > 7 27 O 0.02775868915666 0.31148499123496 0.65656501707685 15.999 > 7 28 O 0.52775868915666 0.31148499123496 0.65656501707685 15.999 > 7 29 O 0.47224131084334 0.18851500876504 0.40656501707685 15.999 > 8 30 O 0.97224131084334 0.18851500876504 0.40656501707685 15.999 > 8 31 O 0.47224131084334 0.18851500876504 0.90656501707685 15.999 > 8 32 O 0.97224131084334 0.18851500876504 0.90656501707685 15.999 > 8 33 O 0.37500000000000 0.68802068268784 0.42437448230267 15.999 > 1 34 O 0.87500000000000 0.68802068268784 0.42437448230267 15.999 > 1 35 O 0.37500000000000 0.68802068268784 0.92437448230267 15.999 > 1 36 O 0.87500000000000 0.68802068268784 0.92437448230267 15.999 > 1 37 O 0.12500000000000 0.81197931731216 0.17437448230267 15.999 > 2 38 O 0.62500000000000 0.81197931731216 0.17437448230267 15.999 > 2 39 O 0.12500000000000 0.81197931731216 0.67437448230267 15.999 > 2 40 O 0.62500000000000 0.81197931731216 0.67437448230267 15.999 > 2 41 O 0.25000000000000 0.50000000000000 0.42571848506689 15.999 > 3 42 O 0.75000000000000 0.50000000000000 0.42571848506689 15.999 > 3 43 O 0.25000000000000 0.50000000000000 0.92571848506689 15.999 > 3 44 O 0.75000000000000 0.50000000000000 0.92571848506689 15.999 > 3 45 O 0.00000000000000 0.50000000000000 0.42571848506689 15.999 > 4 46 O 0.50000000000000 0.50000000000000 0.42571848506689 15.999 > 4 47 O 0.00000000000000 0.50000000000000 0.92571848506689 15.999 > 4 48 O 0.50000000000000 0.50000000000000 0.92571848506689 15.999 > 4 49 O 0.27775868915666 0.68851500876504 0.15656501707685 15.999 > 5 50 O 0.77775868915666 0.68851500876504 0.15656501707685 15.999 > 5 51 O 0.27775868915666 0.68851500876504 0.65656501707685 15.999 > 5 52 O 0.77775868915666 0.68851500876504 0.65656501707685 15.999 > 5 53 O 0.22224131084334 0.81148499123496 0.40656501707685 15.999 > 6 54 O 0.72224131084334 0.81148499123496 0.40656501707685 15.999 > 6 55 O 0.22224131084334 0.81148499123496 0.90656501707685 15.999 > 6 56 O 0.72224131084334 0.81148499123496 0.90656501707685 15.999 > 6 57 O 0.02775868915666 0.81148499123496 0.40656501707685 15.999 > 7 58 O 0.52775868915666 0.81148499123496 0.40656501707685 15.999 > 7 59 O 0.02775868915666 0.81148499123496 0.90656501707685 15.999 > 7 60 O 0.52775868915666 0.81148499123496 0.90656501707685 15.999 > 7 61 O 0.47224131084334 0.68851500876504 0.15656501707685 15.999 > 8 62 O 0.97224131084334 0.68851500876504 0.15656501707685 15.999 > 8 63 O 0.47224131084334 0.68851500876504 0.65656501707685 15.999 > 8 64 O 0.97224131084334 0.68851500876504 0.65656501707685 15.999 > 8 *65 Al 0.27703960998800 0.17232435976587 0.23402392158737 26.982 > 9 66 Al 0.77703960998800 0.17232435976587 0.23402392158737 26.982 > 9 67 Al 0.27703960998800 0.17232435976587 0.73402392158737 26.982 > 9 68 Al 0.77703960998800 0.17232435976587 0.73402392158737 26.982 > 9 69 Al 0.22296039001200 0.32767564023413 0.48402392158737 26.982 > 10 70 Al 0.72296039001200 0.32767564023413 0.48402392158737 26.982 > 10 71 Al 0.22296039001200 0.32767564023413 0.98402392158737 26.982 > 10 72 Al 0.72296039001200 0.32767564023413 0.98402392158737 26.982 > 10 73 Al 0.47296039001200 0.17232435976587 0.23402392158737 26.982 > 11 74 Al 0.97296039001200 0.17232435976587 0.23402392158737 26.982 > 11 75 Al 0.47296039001200 0.17232435976587 0.73402392158737 26.982 > 11 76 Al 0.97296039001200 0.17232435976587 0.73402392158737 26.982 > 11 77 Al 0.02703960998800 0.32767564023413 0.48402392158737 26.982 > 12 78 Al 0.52703960998800 0.32767564023413 0.48402392158737 26.982 > 12 79 Al 0.02703960998800 0.32767564023413 0.98402392158737 26.982 > 12 80 Al 0.52703960998800 0.32767564023413 0.98402392158737 26.982 > 12 81 Al 0.27703960998800 0.67232435976587 0.48402392158737 26.982 > 9 82 Al 0.77703960998800 0.67232435976587 0.48402392158737 26.982 > 9 83 Al 0.27703960998800 0.67232435976587 0.98402392158737 26.982 > 9 84 Al 0.77703960998800 0.67232435976587 0.98402392158737 26.982 > 9 85 Al 0.22296039001200 0.82767564023413 0.23402392158737 26.982 > 10 86 Al 0.72296039001200 0.82767564023413 0.23402392158737 26.982 > 10 87 Al 0.22296039001200 0.82767564023413 0.73402392158737 26.982 > 10 88 Al 0.72296039001200 0.82767564023413 0.73402392158737 26.982 > 10 89 Al 0.47296039001200 0.67232435976587 0.48402392158737 26.982 > 11 90 Al 0.97296039001200 0.67232435976587 0.48402392158737 26.982 > 11 91 Al 0.47296039001200 0.67232435976587 0.98402392158737 26.982 > 11 92 Al 0.97296039001200 0.67232435976587 0.98402392158737 26.982 > 11 93 Al 0.02703960998800 0.82767564023413 0.23402392158737 26.982 > 12 94 Al 0.52703960998800 0.82767564023413 0.23402392158737 26.982 > 12 95 Al 0.02703960998800 0.82767564023413 0.73402392158737 26.982 > 12 96 Al 0.52703960998800 0.82767564023413 0.73402392158737 26.982 > 12 *97 Pb 0.37500000000000 0.02750057877219 0.00122919530203 207.200 > 13 98 Pb 0.87500000000000 0.02750057877219 0.00122919530203 207.200 > 13 99 Pb 0.37500000000000 0.02750057877219 0.50122919530203 207.200 > 13 100 Pb 0.87500000000000 0.02750057877219 0.50122919530203 207.200 > 13 101 Pb 0.12500000000000 0.47249942122781 0.25122919530202 207.200 > 14 102 Pb 0.62500000000000 0.47249942122781 0.25122919530202 207.200 > 14 103 Pb 0.12500000000000 0.47249942122781 0.75122919530202 207.200 > 14 104 Pb 0.62500000000000 0.47249942122781 0.75122919530202 207.200 > 14 105 Pb 0.37500000000000 0.52750057877219 0.25122919530202 207.200 > 13 106 Pb 0.87500000000000 0.52750057877219 0.25122919530202 207.200 > 13 107 Pb 0.37500000000000 0.52750057877219 0.75122919530202 207.200 > 13 108 Pb 0.87500000000000 0.52750057877219 0.75122919530202 207.200 > 13 109 Pb 0.12500000000000 0.97249942122781 0.00122919530203 207.200 > 14 110 Pb 0.62500000000000 0.97249942122781 0.00122919530203 207.200 > 14 111 Pb 0.12500000000000 0.97249942122781 0.50122919530203 207.200 > 14 112 Pb 0.62500000000000 0.97249942122781 0.50122919530203 207.200 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7975360 0.0000000 0.0000000 0.0000000 3.6699330 0.0000000 0.0000000 0.0000000 3.7558184 -------------------------- Born effective charges -------------------------- 1 O -2.3303337 0.0000000 0.0000000 0.0000000 -1.9162694 -0.6474040 0.0000000 -0.6798974 -2.0488320 2 O -2.3303337 0.0000000 0.0000000 0.0000000 -1.9162694 0.6474040 0.0000000 0.6798974 -2.0488320 3 O -2.0569904 -0.3476201 0.0000000 -0.6097468 -2.1800716 0.0000000 0.0000000 0.0000000 -1.9214116 4 O -2.0569904 0.3476201 0.0000000 0.6097468 -2.1800716 0.0000000 0.0000000 0.0000000 -1.9214116 5 O -1.9709785 0.7293332 -0.0358347 0.6001039 -1.9867264 0.0207288 -0.1290482 0.2041274 -2.1648168 6 O -1.9709785 0.7293332 0.0358347 0.6001039 -1.9867264 -0.0207288 0.1290482 -0.2041274 -2.1648168 7 O -1.9709785 -0.7293332 -0.0358347 -0.6001039 -1.9867264 -0.0207288 -0.1290482 -0.2041274 -2.1648168 8 O -1.9709785 -0.7293332 0.0358347 -0.6001039 -1.9867264 0.0207288 0.1290482 0.2041274 -2.1648168 9 Al 2.4397481 -0.0592737 0.2161519 -0.1846121 2.6372818 -0.1477004 -0.1882264 0.2339057 2.7596246 10 Al 2.4397481 -0.0592737 -0.2161519 -0.1846121 2.6372818 0.1477004 0.1882264 -0.2339057 2.7596246 11 Al 2.4397481 0.0592737 -0.2161519 0.1846121 2.6372818 -0.1477004 0.1882264 0.2339057 2.7596246 12 Al 2.4397481 0.0592737 0.2161519 0.1846121 2.6372818 0.1477004 -0.1882264 -0.2339057 2.7596246 13 Pb 3.4497849 0.0000000 0.0000000 0.0000000 2.7952301 -0.0155061 0.0000000 0.0432993 2.7806281 14 Pb 3.4497849 0.0000000 0.0000000 0.0000000 2.7952301 0.0155061 0.0000000 -0.0432993 2.7806281 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1837 Number of blocks in projector: 1837 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 380 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 372 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 227 Use standard eigh solver. Tree of FC basis block matrices: - (1837, 1804), data: False |-- (227, 222), data: True |-- (227, 222), data: True |-- (227, 222), data: True |-- (372, 368), data: True |-- (380, 374), data: True |-- (404, 396), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 2.931 Solver_block: 200 / 480 - Time: 2.906 Solver_block: 300 / 480 - Time: 2.908 Solver_block: 400 / 480 - Time: 2.900 Solver_block: 480 / 480 - Time: 2.350 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.044 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1837 Number of blocks in projector: 1837 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 380 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 372 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 227 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 227 Use standard eigh solver. Tree of FC basis block matrices: - (1837, 1804), data: False |-- (227, 222), data: True |-- (227, 222), data: True |-- (227, 222), data: True |-- (372, 368), data: True |-- (380, 374), data: True |-- (404, 396), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:00:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:00:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.466606779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.604548960000000 2.547162115000000 c 0.000000000000000 -4.604548960000000 2.547162115000000 Atomic positions (fractional): 1 O 0.75000000000000 0.53676964729319 0.16072828191750 15.999 2 O 0.25000000000000 0.16072828191750 0.53676964729319 15.999 3 O 0.50000000000000 0.35143697013379 0.35143697013379 15.999 4 O 0.00000000000000 0.35143697013379 0.35143697013379 15.999 5 O 0.55551737831331 0.00164504291873 0.62461502538865 15.999 6 O 0.44448262168669 0.62461502538865 0.00164504291873 15.999 7 O 0.05551737831331 0.62461502538865 0.00164504291873 15.999 8 O 0.94448262168669 0.00164504291873 0.62461502538865 15.999 9 Al 0.55407921997599 0.64037220294061 0.29572348340886 26.982 10 Al 0.44592078002401 0.29572348340886 0.64037220294061 26.982 11 Al 0.94592078002401 0.64037220294061 0.29572348340886 26.982 12 Al 0.05407921997599 0.29572348340886 0.64037220294061 26.982 13 Pb 0.75000000000000 0.02995896937624 0.97495781183186 207.200 14 Pb 0.25000000000000 0.97495781183186 0.02995896937624 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.933213559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.209097920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.188648460000000 Atomic positions (fractional): 1 O 0.37500000000000 0.18802068268784 0.17437448230267 15.999 > 1 2 O 0.87500000000000 0.18802068268784 0.17437448230267 15.999 > 1 3 O 0.37500000000000 0.18802068268784 0.67437448230267 15.999 > 1 4 O 0.87500000000000 0.18802068268784 0.67437448230267 15.999 > 1 5 O 0.12500000000000 0.31197931731216 0.42437448230267 15.999 > 5 6 O 0.62500000000000 0.31197931731216 0.42437448230267 15.999 > 5 7 O 0.12500000000000 0.31197931731216 0.92437448230267 15.999 > 5 8 O 0.62500000000000 0.31197931731216 0.92437448230267 15.999 > 5 9 O 0.25000000000000 0.00000000000000 0.17571848506689 15.999 > 9 10 O 0.75000000000000 0.00000000000000 0.17571848506689 15.999 > 9 11 O 0.25000000000000 0.00000000000000 0.67571848506689 15.999 > 9 12 O 0.75000000000000 0.00000000000000 0.67571848506689 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.17571848506689 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.17571848506689 15.999 > 13 15 O 0.00000000000000 0.00000000000000 0.67571848506689 15.999 > 13 16 O 0.50000000000000 0.00000000000000 0.67571848506689 15.999 > 13 17 O 0.27775868915666 0.18851500876504 0.40656501707685 15.999 > 17 18 O 0.77775868915666 0.18851500876504 0.40656501707685 15.999 > 17 19 O 0.27775868915666 0.18851500876504 0.90656501707685 15.999 > 17 20 O 0.77775868915666 0.18851500876504 0.90656501707685 15.999 > 17 21 O 0.22224131084334 0.31148499123496 0.15656501707685 15.999 > 21 22 O 0.72224131084334 0.31148499123496 0.15656501707685 15.999 > 21 23 O 0.22224131084334 0.31148499123496 0.65656501707685 15.999 > 21 24 O 0.72224131084334 0.31148499123496 0.65656501707685 15.999 > 21 25 O 0.02775868915666 0.31148499123496 0.15656501707685 15.999 > 25 26 O 0.52775868915666 0.31148499123496 0.15656501707685 15.999 > 25 27 O 0.02775868915666 0.31148499123496 0.65656501707685 15.999 > 25 28 O 0.52775868915666 0.31148499123496 0.65656501707685 15.999 > 25 29 O 0.47224131084334 0.18851500876504 0.40656501707685 15.999 > 29 30 O 0.97224131084334 0.18851500876504 0.40656501707685 15.999 > 29 31 O 0.47224131084334 0.18851500876504 0.90656501707685 15.999 > 29 32 O 0.97224131084334 0.18851500876504 0.90656501707685 15.999 > 29 33 O 0.37500000000000 0.68802068268784 0.42437448230267 15.999 > 1 34 O 0.87500000000000 0.68802068268784 0.42437448230267 15.999 > 1 35 O 0.37500000000000 0.68802068268784 0.92437448230267 15.999 > 1 36 O 0.87500000000000 0.68802068268784 0.92437448230267 15.999 > 1 37 O 0.12500000000000 0.81197931731216 0.17437448230267 15.999 > 5 38 O 0.62500000000000 0.81197931731216 0.17437448230267 15.999 > 5 39 O 0.12500000000000 0.81197931731216 0.67437448230267 15.999 > 5 40 O 0.62500000000000 0.81197931731216 0.67437448230267 15.999 > 5 41 O 0.25000000000000 0.50000000000000 0.42571848506689 15.999 > 9 42 O 0.75000000000000 0.50000000000000 0.42571848506689 15.999 > 9 43 O 0.25000000000000 0.50000000000000 0.92571848506689 15.999 > 9 44 O 0.75000000000000 0.50000000000000 0.92571848506689 15.999 > 9 45 O 0.00000000000000 0.50000000000000 0.42571848506689 15.999 > 13 46 O 0.50000000000000 0.50000000000000 0.42571848506689 15.999 > 13 47 O 0.00000000000000 0.50000000000000 0.92571848506689 15.999 > 13 48 O 0.50000000000000 0.50000000000000 0.92571848506689 15.999 > 13 49 O 0.27775868915666 0.68851500876504 0.15656501707685 15.999 > 17 50 O 0.77775868915666 0.68851500876504 0.15656501707685 15.999 > 17 51 O 0.27775868915666 0.68851500876504 0.65656501707685 15.999 > 17 52 O 0.77775868915666 0.68851500876504 0.65656501707685 15.999 > 17 53 O 0.22224131084334 0.81148499123496 0.40656501707685 15.999 > 21 54 O 0.72224131084334 0.81148499123496 0.40656501707685 15.999 > 21 55 O 0.22224131084334 0.81148499123496 0.90656501707685 15.999 > 21 56 O 0.72224131084334 0.81148499123496 0.90656501707685 15.999 > 21 57 O 0.02775868915666 0.81148499123496 0.40656501707685 15.999 > 25 58 O 0.52775868915666 0.81148499123496 0.40656501707685 15.999 > 25 59 O 0.02775868915666 0.81148499123496 0.90656501707685 15.999 > 25 60 O 0.52775868915666 0.81148499123496 0.90656501707685 15.999 > 25 61 O 0.47224131084334 0.68851500876504 0.15656501707685 15.999 > 29 62 O 0.97224131084334 0.68851500876504 0.15656501707685 15.999 > 29 63 O 0.47224131084334 0.68851500876504 0.65656501707685 15.999 > 29 64 O 0.97224131084334 0.68851500876504 0.65656501707685 15.999 > 29 65 Al 0.27703960998800 0.17232435976587 0.23402392158737 26.982 > 65 66 Al 0.77703960998800 0.17232435976587 0.23402392158737 26.982 > 65 67 Al 0.27703960998800 0.17232435976587 0.73402392158737 26.982 > 65 68 Al 0.77703960998800 0.17232435976587 0.73402392158737 26.982 > 65 69 Al 0.22296039001200 0.32767564023413 0.48402392158737 26.982 > 69 70 Al 0.72296039001200 0.32767564023413 0.48402392158737 26.982 > 69 71 Al 0.22296039001200 0.32767564023413 0.98402392158737 26.982 > 69 72 Al 0.72296039001200 0.32767564023413 0.98402392158737 26.982 > 69 73 Al 0.47296039001200 0.17232435976587 0.23402392158737 26.982 > 73 74 Al 0.97296039001200 0.17232435976587 0.23402392158737 26.982 > 73 75 Al 0.47296039001200 0.17232435976587 0.73402392158737 26.982 > 73 76 Al 0.97296039001200 0.17232435976587 0.73402392158737 26.982 > 73 77 Al 0.02703960998800 0.32767564023413 0.48402392158737 26.982 > 77 78 Al 0.52703960998800 0.32767564023413 0.48402392158737 26.982 > 77 79 Al 0.02703960998800 0.32767564023413 0.98402392158737 26.982 > 77 80 Al 0.52703960998800 0.32767564023413 0.98402392158737 26.982 > 77 81 Al 0.27703960998800 0.67232435976587 0.48402392158737 26.982 > 65 82 Al 0.77703960998800 0.67232435976587 0.48402392158737 26.982 > 65 83 Al 0.27703960998800 0.67232435976587 0.98402392158737 26.982 > 65 84 Al 0.77703960998800 0.67232435976587 0.98402392158737 26.982 > 65 85 Al 0.22296039001200 0.82767564023413 0.23402392158737 26.982 > 69 86 Al 0.72296039001200 0.82767564023413 0.23402392158737 26.982 > 69 87 Al 0.22296039001200 0.82767564023413 0.73402392158737 26.982 > 69 88 Al 0.72296039001200 0.82767564023413 0.73402392158737 26.982 > 69 89 Al 0.47296039001200 0.67232435976587 0.48402392158737 26.982 > 73 90 Al 0.97296039001200 0.67232435976587 0.48402392158737 26.982 > 73 91 Al 0.47296039001200 0.67232435976587 0.98402392158737 26.982 > 73 92 Al 0.97296039001200 0.67232435976587 0.98402392158737 26.982 > 73 93 Al 0.02703960998800 0.82767564023413 0.23402392158737 26.982 > 77 94 Al 0.52703960998800 0.82767564023413 0.23402392158737 26.982 > 77 95 Al 0.02703960998800 0.82767564023413 0.73402392158737 26.982 > 77 96 Al 0.52703960998800 0.82767564023413 0.73402392158737 26.982 > 77 97 Pb 0.37500000000000 0.02750057877219 0.00122919530203 207.200 > 97 98 Pb 0.87500000000000 0.02750057877219 0.00122919530203 207.200 > 97 99 Pb 0.37500000000000 0.02750057877219 0.50122919530203 207.200 > 97 100 Pb 0.87500000000000 0.02750057877219 0.50122919530203 207.200 > 97 101 Pb 0.12500000000000 0.47249942122781 0.25122919530202 207.200 > 101 102 Pb 0.62500000000000 0.47249942122781 0.25122919530202 207.200 > 101 103 Pb 0.12500000000000 0.47249942122781 0.75122919530202 207.200 > 101 104 Pb 0.62500000000000 0.47249942122781 0.75122919530202 207.200 > 101 105 Pb 0.37500000000000 0.52750057877219 0.25122919530202 207.200 > 97 106 Pb 0.87500000000000 0.52750057877219 0.25122919530202 207.200 > 97 107 Pb 0.37500000000000 0.52750057877219 0.75122919530202 207.200 > 97 108 Pb 0.87500000000000 0.52750057877219 0.75122919530202 207.200 > 97 109 Pb 0.12500000000000 0.97249942122781 0.00122919530203 207.200 > 101 110 Pb 0.62500000000000 0.97249942122781 0.00122919530203 207.200 > 101 111 Pb 0.12500000000000 0.97249942122781 0.50122919530203 207.200 > 101 112 Pb 0.62500000000000 0.97249942122781 0.50122919530203 207.200 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7975360 0.0000000 0.0000000 0.0000000 3.6699330 0.0000000 0.0000000 0.0000000 3.7558184 -------------------------- Born effective charges -------------------------- 1 O -2.3303337 0.0000000 0.0000000 0.0000000 -1.9162694 -0.6474040 0.0000000 -0.6798974 -2.0488320 2 O -2.3303337 0.0000000 0.0000000 0.0000000 -1.9162694 0.6474040 0.0000000 0.6798974 -2.0488320 3 O -2.0569904 -0.3476201 0.0000000 -0.6097468 -2.1800716 0.0000000 0.0000000 0.0000000 -1.9214116 4 O -2.0569904 0.3476201 0.0000000 0.6097468 -2.1800716 0.0000000 0.0000000 0.0000000 -1.9214116 5 O -1.9709785 0.7293332 -0.0358347 0.6001039 -1.9867264 0.0207288 -0.1290482 0.2041274 -2.1648168 6 O -1.9709785 0.7293332 0.0358347 0.6001039 -1.9867264 -0.0207288 0.1290482 -0.2041274 -2.1648168 7 O -1.9709785 -0.7293332 -0.0358347 -0.6001039 -1.9867264 -0.0207288 -0.1290482 -0.2041274 -2.1648168 8 O -1.9709785 -0.7293332 0.0358347 -0.6001039 -1.9867264 0.0207288 0.1290482 0.2041274 -2.1648168 9 Al 2.4397481 -0.0592737 0.2161519 -0.1846121 2.6372818 -0.1477004 -0.1882264 0.2339057 2.7596246 10 Al 2.4397481 -0.0592737 -0.2161519 -0.1846121 2.6372818 0.1477004 0.1882264 -0.2339057 2.7596246 11 Al 2.4397481 0.0592737 -0.2161519 0.1846121 2.6372818 -0.1477004 0.1882264 0.2339057 2.7596246 12 Al 2.4397481 0.0592737 0.2161519 0.1846121 2.6372818 0.1477004 -0.1882264 -0.2339057 2.7596246 13 Pb 3.4497849 0.0000000 0.0000000 0.0000000 2.7952301 -0.0155061 0.0000000 0.0432993 2.7806281 14 Pb 3.4497849 0.0000000 0.0000000 0.0000000 2.7952301 0.0155061 0.0000000 -0.0432993 2.7806281 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000002 (zyz) -0.00000002 (zyz) -0.00000002 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 05:01:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:01:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.466606779999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.604548960000000 2.547162115000000 c 0.000000000000000 -4.604548960000000 2.547162115000000 Atomic positions (fractional): 1 O 0.75000000000000 0.53676964729319 0.16072828191750 15.999 2 O 0.25000000000000 0.16072828191750 0.53676964729319 15.999 3 O 0.50000000000000 0.35143697013379 0.35143697013379 15.999 4 O 0.00000000000000 0.35143697013379 0.35143697013379 15.999 5 O 0.55551737831331 0.00164504291873 0.62461502538865 15.999 6 O 0.44448262168669 0.62461502538865 0.00164504291873 15.999 7 O 0.05551737831331 0.62461502538865 0.00164504291873 15.999 8 O 0.94448262168669 0.00164504291873 0.62461502538865 15.999 9 Al 0.55407921997599 0.64037220294061 0.29572348340886 26.982 10 Al 0.44592078002401 0.29572348340886 0.64037220294061 26.982 11 Al 0.94592078002401 0.64037220294061 0.29572348340886 26.982 12 Al 0.05407921997599 0.29572348340886 0.64037220294061 26.982 13 Pb 0.75000000000000 0.02995896937624 0.97495781183186 207.200 14 Pb 0.25000000000000 0.97495781183186 0.02995896937624 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.933213559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.209097920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.188648460000000 Atomic positions (fractional): 1 O 0.37500000000000 0.18802068268784 0.17437448230267 15.999 > 1 2 O 0.87500000000000 0.18802068268784 0.17437448230267 15.999 > 1 3 O 0.37500000000000 0.18802068268784 0.67437448230267 15.999 > 1 4 O 0.87500000000000 0.18802068268784 0.67437448230267 15.999 > 1 5 O 0.12500000000000 0.31197931731216 0.42437448230267 15.999 > 5 6 O 0.62500000000000 0.31197931731216 0.42437448230267 15.999 > 5 7 O 0.12500000000000 0.31197931731216 0.92437448230267 15.999 > 5 8 O 0.62500000000000 0.31197931731216 0.92437448230267 15.999 > 5 9 O 0.25000000000000 0.00000000000000 0.17571848506689 15.999 > 9 10 O 0.75000000000000 0.00000000000000 0.17571848506689 15.999 > 9 11 O 0.25000000000000 0.00000000000000 0.67571848506689 15.999 > 9 12 O 0.75000000000000 0.00000000000000 0.67571848506689 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.17571848506689 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.17571848506689 15.999 > 13 15 O 0.00000000000000 0.00000000000000 0.67571848506689 15.999 > 13 16 O 0.50000000000000 0.00000000000000 0.67571848506689 15.999 > 13 17 O 0.27775868915666 0.18851500876504 0.40656501707685 15.999 > 17 18 O 0.77775868915666 0.18851500876504 0.40656501707685 15.999 > 17 19 O 0.27775868915666 0.18851500876504 0.90656501707685 15.999 > 17 20 O 0.77775868915666 0.18851500876504 0.90656501707685 15.999 > 17 21 O 0.22224131084334 0.31148499123496 0.15656501707685 15.999 > 21 22 O 0.72224131084334 0.31148499123496 0.15656501707685 15.999 > 21 23 O 0.22224131084334 0.31148499123496 0.65656501707685 15.999 > 21 24 O 0.72224131084334 0.31148499123496 0.65656501707685 15.999 > 21 25 O 0.02775868915666 0.31148499123496 0.15656501707685 15.999 > 25 26 O 0.52775868915666 0.31148499123496 0.15656501707685 15.999 > 25 27 O 0.02775868915666 0.31148499123496 0.65656501707685 15.999 > 25 28 O 0.52775868915666 0.31148499123496 0.65656501707685 15.999 > 25 29 O 0.47224131084334 0.18851500876504 0.40656501707685 15.999 > 29 30 O 0.97224131084334 0.18851500876504 0.40656501707685 15.999 > 29 31 O 0.47224131084334 0.18851500876504 0.90656501707685 15.999 > 29 32 O 0.97224131084334 0.18851500876504 0.90656501707685 15.999 > 29 33 O 0.37500000000000 0.68802068268784 0.42437448230267 15.999 > 1 34 O 0.87500000000000 0.68802068268784 0.42437448230267 15.999 > 1 35 O 0.37500000000000 0.68802068268784 0.92437448230267 15.999 > 1 36 O 0.87500000000000 0.68802068268784 0.92437448230267 15.999 > 1 37 O 0.12500000000000 0.81197931731216 0.17437448230267 15.999 > 5 38 O 0.62500000000000 0.81197931731216 0.17437448230267 15.999 > 5 39 O 0.12500000000000 0.81197931731216 0.67437448230267 15.999 > 5 40 O 0.62500000000000 0.81197931731216 0.67437448230267 15.999 > 5 41 O 0.25000000000000 0.50000000000000 0.42571848506689 15.999 > 9 42 O 0.75000000000000 0.50000000000000 0.42571848506689 15.999 > 9 43 O 0.25000000000000 0.50000000000000 0.92571848506689 15.999 > 9 44 O 0.75000000000000 0.50000000000000 0.92571848506689 15.999 > 9 45 O 0.00000000000000 0.50000000000000 0.42571848506689 15.999 > 13 46 O 0.50000000000000 0.50000000000000 0.42571848506689 15.999 > 13 47 O 0.00000000000000 0.50000000000000 0.92571848506689 15.999 > 13 48 O 0.50000000000000 0.50000000000000 0.92571848506689 15.999 > 13 49 O 0.27775868915666 0.68851500876504 0.15656501707685 15.999 > 17 50 O 0.77775868915666 0.68851500876504 0.15656501707685 15.999 > 17 51 O 0.27775868915666 0.68851500876504 0.65656501707685 15.999 > 17 52 O 0.77775868915666 0.68851500876504 0.65656501707685 15.999 > 17 53 O 0.22224131084334 0.81148499123496 0.40656501707685 15.999 > 21 54 O 0.72224131084334 0.81148499123496 0.40656501707685 15.999 > 21 55 O 0.22224131084334 0.81148499123496 0.90656501707685 15.999 > 21 56 O 0.72224131084334 0.81148499123496 0.90656501707685 15.999 > 21 57 O 0.02775868915666 0.81148499123496 0.40656501707685 15.999 > 25 58 O 0.52775868915666 0.81148499123496 0.40656501707685 15.999 > 25 59 O 0.02775868915666 0.81148499123496 0.90656501707685 15.999 > 25 60 O 0.52775868915666 0.81148499123496 0.90656501707685 15.999 > 25 61 O 0.47224131084334 0.68851500876504 0.15656501707685 15.999 > 29 62 O 0.97224131084334 0.68851500876504 0.15656501707685 15.999 > 29 63 O 0.47224131084334 0.68851500876504 0.65656501707685 15.999 > 29 64 O 0.97224131084334 0.68851500876504 0.65656501707685 15.999 > 29 65 Al 0.27703960998800 0.17232435976587 0.23402392158737 26.982 > 65 66 Al 0.77703960998800 0.17232435976587 0.23402392158737 26.982 > 65 67 Al 0.27703960998800 0.17232435976587 0.73402392158737 26.982 > 65 68 Al 0.77703960998800 0.17232435976587 0.73402392158737 26.982 > 65 69 Al 0.22296039001200 0.32767564023413 0.48402392158737 26.982 > 69 70 Al 0.72296039001200 0.32767564023413 0.48402392158737 26.982 > 69 71 Al 0.22296039001200 0.32767564023413 0.98402392158737 26.982 > 69 72 Al 0.72296039001200 0.32767564023413 0.98402392158737 26.982 > 69 73 Al 0.47296039001200 0.17232435976587 0.23402392158737 26.982 > 73 74 Al 0.97296039001200 0.17232435976587 0.23402392158737 26.982 > 73 75 Al 0.47296039001200 0.17232435976587 0.73402392158737 26.982 > 73 76 Al 0.97296039001200 0.17232435976587 0.73402392158737 26.982 > 73 77 Al 0.02703960998800 0.32767564023413 0.48402392158737 26.982 > 77 78 Al 0.52703960998800 0.32767564023413 0.48402392158737 26.982 > 77 79 Al 0.02703960998800 0.32767564023413 0.98402392158737 26.982 > 77 80 Al 0.52703960998800 0.32767564023413 0.98402392158737 26.982 > 77 81 Al 0.27703960998800 0.67232435976587 0.48402392158737 26.982 > 65 82 Al 0.77703960998800 0.67232435976587 0.48402392158737 26.982 > 65 83 Al 0.27703960998800 0.67232435976587 0.98402392158737 26.982 > 65 84 Al 0.77703960998800 0.67232435976587 0.98402392158737 26.982 > 65 85 Al 0.22296039001200 0.82767564023413 0.23402392158737 26.982 > 69 86 Al 0.72296039001200 0.82767564023413 0.23402392158737 26.982 > 69 87 Al 0.22296039001200 0.82767564023413 0.73402392158737 26.982 > 69 88 Al 0.72296039001200 0.82767564023413 0.73402392158737 26.982 > 69 89 Al 0.47296039001200 0.67232435976587 0.48402392158737 26.982 > 73 90 Al 0.97296039001200 0.67232435976587 0.48402392158737 26.982 > 73 91 Al 0.47296039001200 0.67232435976587 0.98402392158737 26.982 > 73 92 Al 0.97296039001200 0.67232435976587 0.98402392158737 26.982 > 73 93 Al 0.02703960998800 0.82767564023413 0.23402392158737 26.982 > 77 94 Al 0.52703960998800 0.82767564023413 0.23402392158737 26.982 > 77 95 Al 0.02703960998800 0.82767564023413 0.73402392158737 26.982 > 77 96 Al 0.52703960998800 0.82767564023413 0.73402392158737 26.982 > 77 97 Pb 0.37500000000000 0.02750057877219 0.00122919530203 207.200 > 97 98 Pb 0.87500000000000 0.02750057877219 0.00122919530203 207.200 > 97 99 Pb 0.37500000000000 0.02750057877219 0.50122919530203 207.200 > 97 100 Pb 0.87500000000000 0.02750057877219 0.50122919530203 207.200 > 97 101 Pb 0.12500000000000 0.47249942122781 0.25122919530202 207.200 > 101 102 Pb 0.62500000000000 0.47249942122781 0.25122919530202 207.200 > 101 103 Pb 0.12500000000000 0.47249942122781 0.75122919530202 207.200 > 101 104 Pb 0.62500000000000 0.47249942122781 0.75122919530202 207.200 > 101 105 Pb 0.37500000000000 0.52750057877219 0.25122919530202 207.200 > 97 106 Pb 0.87500000000000 0.52750057877219 0.25122919530202 207.200 > 97 107 Pb 0.37500000000000 0.52750057877219 0.75122919530202 207.200 > 97 108 Pb 0.87500000000000 0.52750057877219 0.75122919530202 207.200 > 97 109 Pb 0.12500000000000 0.97249942122781 0.00122919530203 207.200 > 101 110 Pb 0.62500000000000 0.97249942122781 0.00122919530203 207.200 > 101 111 Pb 0.12500000000000 0.97249942122781 0.50122919530203 207.200 > 101 112 Pb 0.62500000000000 0.97249942122781 0.50122919530203 207.200 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7975360 0.0000000 0.0000000 0.0000000 3.6699330 0.0000000 0.0000000 0.0000000 3.7558184 -------------------------- Born effective charges -------------------------- 1 O -2.3303337 0.0000000 0.0000000 0.0000000 -1.9162694 -0.6474040 0.0000000 -0.6798974 -2.0488320 2 O -2.3303337 0.0000000 0.0000000 0.0000000 -1.9162694 0.6474040 0.0000000 0.6798974 -2.0488320 3 O -2.0569904 -0.3476201 0.0000000 -0.6097468 -2.1800716 0.0000000 0.0000000 0.0000000 -1.9214116 4 O -2.0569904 0.3476201 0.0000000 0.6097468 -2.1800716 0.0000000 0.0000000 0.0000000 -1.9214116 5 O -1.9709785 0.7293332 -0.0358347 0.6001039 -1.9867264 0.0207288 -0.1290482 0.2041274 -2.1648168 6 O -1.9709785 0.7293332 0.0358347 0.6001039 -1.9867264 -0.0207288 0.1290482 -0.2041274 -2.1648168 7 O -1.9709785 -0.7293332 -0.0358347 -0.6001039 -1.9867264 -0.0207288 -0.1290482 -0.2041274 -2.1648168 8 O -1.9709785 -0.7293332 0.0358347 -0.6001039 -1.9867264 0.0207288 0.1290482 0.2041274 -2.1648168 9 Al 2.4397481 -0.0592737 0.2161519 -0.1846121 2.6372818 -0.1477004 -0.1882264 0.2339057 2.7596246 10 Al 2.4397481 -0.0592737 -0.2161519 -0.1846121 2.6372818 0.1477004 0.1882264 -0.2339057 2.7596246 11 Al 2.4397481 0.0592737 -0.2161519 0.1846121 2.6372818 -0.1477004 0.1882264 0.2339057 2.7596246 12 Al 2.4397481 0.0592737 0.2161519 0.1846121 2.6372818 0.1477004 -0.1882264 -0.2339057 2.7596246 13 Pb 3.4497849 0.0000000 0.0000000 0.0000000 2.7952301 -0.0155061 0.0000000 0.0432993 2.7806281 14 Pb 3.4497849 0.0000000 0.0000000 0.0000000 2.7952301 0.0155061 0.0000000 -0.0432993 2.7806281 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zyz) -0.00000002 (zyz) -0.00000002 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 11 11 ] 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: 0.71, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 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 1.357 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 11.805 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.572 ( 0.000 0.000 0.000) 0.000 13.716 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 16.197 ( 0.000 0.000 0.000) 0.000 16.733 ( 0.000 0.000 0.000) 0.000 18.234 ( 0.000 0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 18.950 ( 0.000 0.000 0.000) 0.000 19.887 ( 0.000 0.000 0.000) 0.000 22.854 ( 0.000 0.000 0.000) 0.000 23.650 ( 0.000 0.000 0.000) 0.000 23.752 ( 0.000 0.000 0.000) 0.000 23.782 ( 0.000 0.000 0.000) 0.000 24.117 ( 0.000 0.000 0.000) 0.000 25.632 ( 0.000 0.000 0.000) 0.000 26.057 ( 0.000 0.000 0.000) 0.000 26.089 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 19.827 0.000 0.000) 19.827 0.549 ( 26.745 0.000 0.000) 26.745 0.912 ( 38.535 0.000 0.000) 38.535 1.571 ( 11.121 0.000 0.000) 11.121 1.793 ( 4.168 0.000 0.000) 4.168 2.446 ( 9.606 0.000 0.000) 9.606 2.861 ( -3.380 0.000 0.000) 3.380 3.389 ( 4.493 0.000 0.000) 4.493 3.923 ( -13.464 0.000 0.000) 13.464 4.343 ( -7.977 0.000 0.000) 7.977 4.376 ( 5.251 0.000 0.000) 5.251 4.540 ( -4.226 0.000 0.000) 4.226 6.079 ( 10.721 0.000 0.000) 10.721 6.429 ( 0.818 0.000 0.000) 0.818 7.587 ( -24.939 0.000 0.000) 24.939 7.834 ( -25.016 0.000 0.000) 25.016 8.663 ( 17.411 0.000 0.000) 17.411 8.700 ( 13.744 0.000 0.000) 13.744 10.266 ( 5.431 0.000 0.000) 5.431 10.689 ( 7.190 0.000 0.000) 7.190 10.768 ( -0.303 0.000 0.000) 0.303 11.273 ( 5.112 0.000 0.000) 5.112 11.287 ( -7.996 0.000 0.000) 7.996 11.867 ( 4.391 0.000 0.000) 4.391 12.389 ( -3.417 0.000 0.000) 3.417 12.882 ( -18.838 0.000 0.000) 18.838 13.776 ( 5.631 0.000 0.000) 5.631 13.940 ( 7.996 0.000 0.000) 7.996 16.213 ( 1.845 0.000 0.000) 1.845 16.686 ( -4.640 0.000 0.000) 4.640 18.238 ( 0.383 0.000 0.000) 0.383 18.313 ( -0.857 0.000 0.000) 0.857 19.803 ( 0.586 0.000 0.000) 0.586 19.880 ( -0.635 0.000 0.000) 0.635 23.158 ( 3.830 0.000 0.000) 3.830 23.639 ( -1.631 0.000 0.000) 1.631 23.747 ( -0.462 0.000 0.000) 0.462 23.748 ( -2.750 0.000 0.000) 2.750 25.680 ( 4.657 0.000 0.000) 4.657 25.927 ( 0.811 0.000 0.000) 0.811 26.080 ( -0.900 0.000 0.000) 0.900 26.198 ( -2.973 0.000 0.000) 2.973 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 12.966 0.000 0.000) 12.966 0.993 ( 14.165 0.000 0.000) 14.165 1.310 ( 8.429 0.000 0.000) 8.429 1.722 ( 0.741 0.000 0.000) 0.741 2.179 ( 30.220 0.000 0.000) 30.220 2.687 ( 15.273 0.000 0.000) 15.273 2.773 ( -5.307 0.000 0.000) 5.307 3.481 ( -4.606 0.000 0.000) 4.606 3.669 ( -3.618 0.000 0.000) 3.618 4.117 ( -13.406 0.000 0.000) 13.406 4.443 ( 1.616 0.000 0.000) 1.616 4.484 ( -1.806 0.000 0.000) 1.806 6.321 ( 12.617 0.000 0.000) 12.617 6.477 ( 4.303 0.000 0.000) 4.303 7.129 ( -19.323 0.000 0.000) 19.323 7.324 ( -24.989 0.000 0.000) 24.989 8.927 ( 8.981 0.000 0.000) 8.981 8.946 ( 10.102 0.000 0.000) 10.102 10.350 ( 4.285 0.000 0.000) 4.285 10.688 ( -8.542 0.000 0.000) 8.542 10.930 ( 14.300 0.000 0.000) 14.300 11.172 ( -2.792 0.000 0.000) 2.792 11.421 ( 10.626 0.000 0.000) 10.626 11.912 ( -1.754 0.000 0.000) 1.754 12.312 ( -3.777 0.000 0.000) 3.777 12.481 ( -18.900 0.000 0.000) 18.900 13.912 ( 7.383 0.000 0.000) 7.383 14.053 ( 2.589 0.000 0.000) 2.589 16.278 ( 4.955 0.000 0.000) 4.955 16.562 ( -7.622 0.000 0.000) 7.622 18.250 ( 0.766 0.000 0.000) 0.766 18.292 ( -1.233 0.000 0.000) 1.233 19.819 ( 1.007 0.000 0.000) 1.007 19.863 ( -1.057 0.000 0.000) 1.057 23.263 ( 6.689 0.000 0.000) 6.689 23.558 ( -6.521 0.000 0.000) 6.521 23.715 ( -0.347 0.000 0.000) 0.347 23.735 ( -0.739 0.000 0.000) 0.739 25.799 ( 6.892 0.000 0.000) 6.892 25.946 ( 0.779 0.000 0.000) 0.779 26.057 ( -1.287 0.000 0.000) 1.287 26.118 ( -4.890 0.000 0.000) 4.890 ======================= Grid point 3 (4/144) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -8.250 0.000 0.000) 8.250 0.998 ( 8.250 0.000 0.000) 8.250 1.572 ( -14.158 0.000 0.000) 14.158 1.572 ( 14.158 0.000 0.000) 14.158 2.620 ( -12.443 0.000 0.000) 12.443 2.620 ( 12.443 0.000 0.000) 12.443 3.098 ( -24.946 0.000 0.000) 24.946 3.098 ( 24.946 0.000 0.000) 24.946 3.851 ( -13.230 0.000 0.000) 13.230 3.851 ( 13.230 0.000 0.000) 13.230 4.460 ( -0.734 0.000 0.000) 0.734 4.460 ( 0.734 0.000 0.000) 0.734 6.521 ( -4.744 0.000 0.000) 4.744 6.521 ( 4.744 0.000 0.000) 4.744 6.960 ( -7.051 0.000 0.000) 7.051 6.960 ( 7.051 0.000 0.000) 7.051 9.034 ( -1.090 0.000 0.000) 1.090 9.034 ( 1.090 0.000 0.000) 1.090 10.487 ( -9.764 0.000 0.000) 9.764 10.487 ( 9.764 0.000 0.000) 9.764 11.122 ( -4.565 0.000 0.000) 4.565 11.122 ( 4.565 0.000 0.000) 4.565 11.713 ( -16.901 0.000 0.000) 16.901 11.713 ( 16.901 0.000 0.000) 16.901 12.276 ( -1.752 0.000 0.000) 1.752 12.276 ( 1.752 0.000 0.000) 1.752 14.034 ( -4.228 0.000 0.000) 4.228 14.034 ( 4.228 0.000 0.000) 4.228 16.406 ( -7.672 0.000 0.000) 7.672 16.406 ( 7.672 0.000 0.000) 7.672 18.268 ( -1.112 0.000 0.000) 1.112 18.268 ( 1.112 0.000 0.000) 1.112 19.841 ( -1.177 0.000 0.000) 1.177 19.841 ( 1.177 0.000 0.000) 1.177 23.410 ( -7.896 0.000 0.000) 7.896 23.410 ( 7.896 0.000 0.000) 7.896 23.721 ( -0.652 0.000 0.000) 0.652 23.721 ( 0.652 0.000 0.000) 0.652 25.922 ( -4.420 0.000 0.000) 4.420 25.922 ( 4.420 0.000 0.000) 4.420 26.045 ( -1.051 0.000 0.000) 1.051 26.045 ( 1.051 0.000 0.000) 1.051 ======================= Grid point 7 (5/144) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 7.996 23.022) 24.371 0.549 ( 0.000 28.234 13.194) 31.165 0.805 ( 0.000 0.797 38.925) 38.933 1.533 ( 0.000 8.624 12.488) 15.176 1.591 ( 0.000 15.576 0.178) 15.577 2.425 ( 0.000 -2.006 2.539) 3.236 2.756 ( 0.000 -6.166 -1.718) 6.401 2.921 ( 0.000 10.310 0.072) 10.310 3.357 ( 0.000 6.719 -7.532) 10.094 4.162 ( 0.000 5.700 0.083) 5.701 4.400 ( 0.000 10.208 7.360) 12.585 4.996 ( 0.000 -7.150 6.119) 9.411 5.935 ( 0.000 4.417 -7.306) 8.538 6.354 ( 0.000 -0.834 -7.066) 7.115 7.879 ( 0.000 -2.517 -5.952) 6.462 8.157 ( 0.000 -28.320 2.165) 28.402 8.416 ( 0.000 -10.018 9.041) 13.495 8.701 ( 0.000 25.994 -0.112) 25.994 10.119 ( 0.000 -12.422 -0.606) 12.437 10.263 ( 0.000 -9.325 -3.455) 9.944 10.631 ( 0.000 -0.796 -0.626) 1.013 10.792 ( 0.000 4.493 0.353) 4.507 11.253 ( 0.000 3.565 -0.288) 3.577 12.075 ( 0.000 -30.101 10.004) 31.720 12.451 ( 0.000 0.224 -12.997) 12.999 13.069 ( 0.000 41.068 -28.711) 50.109 13.779 ( 0.000 5.591 3.828) 6.776 13.962 ( 0.000 12.275 1.617) 12.381 16.255 ( 0.000 -6.521 0.110) 6.522 16.580 ( 0.000 7.139 -17.421) 18.827 18.254 ( 0.000 -6.974 5.420) 8.832 18.937 ( 0.000 2.193 -2.216) 3.117 19.372 ( 0.000 -58.037 36.556) 68.591 20.413 ( 0.000 28.693 -4.140) 28.990 22.926 ( 0.000 2.757 6.205) 6.790 23.659 ( 0.000 0.016 0.938) 0.938 23.776 ( 0.000 -0.734 0.447) 0.859 24.123 ( 0.000 0.554 0.362) 0.662 25.173 ( 0.000 -59.325 28.728) 65.914 25.579 ( 0.000 -10.312 0.795) 10.343 26.125 ( 0.000 11.485 0.208) 11.487 26.788 ( 0.000 61.642 -36.956) 71.871 ======================= Grid point 8 (6/144) ======================= q-point: ( 0.17 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 13.143 13.252 9.524) 20.954 0.724 ( 17.353 3.317 16.530) 24.195 1.167 ( 22.655 7.468 18.597) 30.247 1.609 ( 8.514 2.090 4.243) 9.739 1.882 ( 13.143 7.308 6.601) 16.423 2.461 ( 8.633 -1.235 1.208) 8.804 2.788 ( -2.126 -1.239 -6.995) 7.415 3.276 ( 9.677 -11.541 -5.935) 16.189 3.635 ( 25.892 1.824 -21.429) 33.659 4.011 ( -11.421 7.330 1.721) 13.679 4.471 ( 4.095 7.526 6.507) 10.759 4.853 ( -11.967 -0.362 10.701) 16.058 5.942 ( 4.297 1.675 -9.948) 10.965 6.354 ( 0.424 0.121 -7.992) 8.004 7.567 ( -22.779 -7.889 1.744) 24.169 7.893 ( -22.441 -4.684 2.701) 23.083 8.608 ( 16.007 -7.011 3.124) 17.752 8.847 ( 9.712 13.855 1.714) 17.007 10.148 ( 2.841 -13.185 -4.012) 14.071 10.479 ( 7.939 -18.927 -15.512) 25.727 10.666 ( 2.917 -5.594 -0.448) 6.325 10.946 ( 13.001 9.031 -6.424) 17.084 11.317 ( 6.156 5.176 0.459) 8.056 11.982 ( -4.957 -22.388 8.537) 24.468 12.399 ( -4.546 0.472 -6.469) 7.921 12.913 ( -16.438 22.470 -13.076) 30.759 13.856 ( 6.309 9.161 2.501) 11.401 13.996 ( 5.074 14.800 -1.999) 15.773 16.210 ( -2.216 -4.881 0.714) 5.408 16.525 ( -4.676 4.278 -16.739) 17.898 18.260 ( 0.627 -6.541 5.490) 8.563 18.606 ( -14.916 -4.156 18.322) 23.989 19.636 ( 12.347 -28.384 11.677) 33.082 20.229 ( -11.030 23.302 7.452) 26.836 23.067 ( 9.320 0.115 -0.430) 9.330 23.645 ( -1.991 0.694 0.097) 2.111 23.752 ( -1.766 -0.755 1.301) 2.320 23.932 ( -9.608 2.670 8.531) 13.124 25.425 ( 12.727 -45.962 5.666) 48.026 25.631 ( 4.699 -14.952 0.174) 15.674 26.129 ( 0.546 13.550 0.060) 13.561 26.590 ( -12.701 48.028 -15.584) 52.066 ======================= Grid point 9 (7/144) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 11.815 8.927 6.179) 16.046 1.086 ( 13.960 3.381 6.601) 15.808 1.393 ( 4.996 6.190 8.095) 11.349 1.739 ( 0.982 1.804 1.352) 2.459 2.255 ( 22.461 1.624 5.960) 23.295 2.680 ( 4.700 -4.392 -3.134) 7.155 2.758 ( 7.869 3.545 0.073) 8.631 3.384 ( -0.910 -4.460 -7.024) 8.371 3.767 ( -5.198 1.087 6.894) 8.702 3.943 ( 1.882 0.414 -10.083) 10.266 4.521 ( 1.076 4.994 7.355) 8.955 4.644 ( -7.338 6.456 9.598) 13.698 6.092 ( 8.996 -7.488 -14.088) 18.316 6.386 ( 2.554 2.666 -10.690) 11.309 7.150 ( -16.595 -7.668 6.300) 19.336 7.432 ( -22.375 5.548 3.791) 23.362 8.899 ( 12.046 -4.592 1.091) 12.938 9.013 ( 6.224 6.004 2.091) 8.897 10.202 ( 3.218 -10.810 -8.348) 14.032 10.469 ( -6.745 -11.365 -15.412) 20.302 10.807 ( 9.878 -14.396 -1.267) 17.505 11.102 ( 1.812 5.698 -6.791) 9.048 11.518 ( 15.009 8.990 3.934) 17.932 11.959 ( 1.238 -13.954 5.134) 14.920 12.295 ( -5.485 -2.033 -2.971) 6.561 12.505 ( -22.170 12.572 -3.320) 25.702 13.991 ( 6.845 10.562 2.006) 12.745 14.102 ( 3.632 13.950 -3.202) 14.766 16.209 ( 2.122 -3.693 -4.342) 6.082 16.413 ( -6.447 0.965 -14.545) 15.939 18.281 ( 1.572 -5.564 6.092) 8.399 18.417 ( -6.020 -3.303 12.515) 14.275 19.814 ( 6.803 -11.159 8.644) 15.670 20.060 ( -6.728 11.062 9.751) 16.209 23.239 ( 8.450 0.290 -0.564) 8.474 23.558 ( -6.598 1.440 -0.583) 6.778 23.737 ( 0.328 -0.515 2.640) 2.710 23.811 ( -3.700 1.427 5.761) 6.994 25.592 ( 5.798 -30.086 -0.371) 30.642 25.707 ( 1.867 -22.367 -0.952) 22.465 26.160 ( 2.912 18.942 -0.612) 19.175 26.386 ( -8.334 32.636 -5.176) 34.078 ======================= Grid point 10 (8/144) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 4.658 5.717) 7.374 1.126 ( -0.000 8.833 6.564) 11.005 1.594 ( -0.000 2.214 2.382) 3.252 1.619 ( 0.000 4.800 3.834) 6.143 2.574 ( -0.000 -3.514 -3.499) 4.959 2.590 ( 0.000 -1.904 -2.140) 2.864 3.106 ( -0.000 0.993 0.174) 1.008 3.147 ( 0.000 3.227 0.520) 3.268 3.801 ( 0.000 -5.250 0.500) 5.274 3.899 ( 0.000 2.850 2.569) 3.837 4.530 ( 0.000 4.157 6.969) 8.115 4.576 ( 0.000 8.742 7.273) 11.372 6.214 ( 0.000 -13.619 -15.541) 20.664 6.407 ( 0.000 1.311 -11.488) 11.563 7.014 ( 0.000 -1.577 6.384) 6.576 7.140 ( 0.000 7.004 5.943) 9.186 9.037 ( 0.000 -1.648 0.387) 1.693 9.066 ( 0.000 1.088 3.469) 3.636 10.297 ( -0.000 -9.844 -12.402) 15.834 10.320 ( 0.000 -8.614 -12.015) 14.784 10.937 ( 0.000 -12.619 -6.139) 14.033 11.090 ( 0.000 -2.541 -2.058) 3.270 11.823 ( -0.000 5.442 3.715) 6.589 11.899 ( 0.000 8.452 8.059) 11.678 12.210 ( 0.000 -3.486 -3.376) 4.852 12.236 ( -0.000 -0.823 -3.627) 3.720 14.085 ( 0.000 10.427 -0.328) 10.432 14.118 ( 0.000 13.672 -0.093) 13.672 16.283 ( -0.000 -2.233 -10.385) 10.622 16.294 ( 0.000 -1.169 -9.945) 10.013 18.316 ( -0.000 -5.425 7.911) 9.593 18.341 ( 0.000 -2.941 8.274) 8.782 19.915 ( 0.000 -1.868 8.703) 8.901 19.959 ( -0.000 2.419 9.608) 9.908 23.393 ( 0.000 -0.310 -0.833) 0.889 23.419 ( -0.000 2.306 0.305) 2.327 23.752 ( -0.000 -0.401 3.426) 3.450 23.766 ( 0.000 0.967 3.832) 3.952 25.662 ( 0.000 -26.164 -2.333) 26.268 25.711 ( 0.000 -24.657 -0.015) 24.657 26.238 ( -0.000 25.399 -2.565) 25.528 26.257 ( 0.000 24.204 -1.513) 24.251 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 5.439 14.626) 15.604 0.984 ( 0.000 25.523 4.789) 25.968 1.346 ( 0.000 -6.487 26.745) 27.521 1.839 ( 0.000 9.413 10.578) 14.160 1.855 ( 0.000 2.492 14.049) 14.268 2.484 ( 0.000 1.217 4.877) 5.027 2.655 ( 0.000 3.587 -5.158) 6.283 3.114 ( 0.000 10.176 9.468) 13.899 3.268 ( 0.000 2.336 -7.298) 7.663 4.210 ( 0.000 0.562 0.841) 1.012 4.726 ( 0.000 19.763 11.927) 23.084 5.113 ( 0.000 4.575 9.865) 10.874 5.843 ( 0.000 12.492 -10.843) 16.542 6.179 ( 0.000 -2.860 -9.678) 10.092 7.675 ( 0.000 -7.149 -11.261) 13.339 7.951 ( 0.000 -23.720 3.804) 24.024 8.505 ( 0.000 -4.394 8.647) 9.699 8.923 ( 0.000 20.435 -1.094) 20.465 9.947 ( 0.000 -18.185 -2.031) 18.298 10.046 ( 0.000 -15.177 -6.919) 16.680 10.575 ( 0.000 -5.444 -2.615) 6.039 10.850 ( 0.000 2.805 2.087) 3.497 11.277 ( 0.000 2.241 -0.589) 2.317 11.942 ( 0.000 -16.566 1.779) 16.661 12.148 ( 0.000 2.259 -21.182) 21.302 12.935 ( 0.000 15.148 -16.770) 22.599 13.957 ( 0.000 10.269 7.081) 12.474 14.138 ( 0.000 15.387 1.818) 15.494 15.959 ( 0.000 -9.827 -21.137) 23.309 16.504 ( 0.000 12.088 -2.876) 12.426 18.257 ( 0.000 -15.340 6.522) 16.669 18.938 ( 0.000 6.794 -2.200) 7.142 19.464 ( 0.000 -33.940 24.117) 41.636 20.655 ( 0.000 16.557 4.653) 17.198 23.108 ( 0.000 4.132 9.603) 10.454 23.682 ( 0.000 -0.020 1.512) 1.513 23.791 ( 0.000 -0.116 2.022) 2.025 24.143 ( 0.000 1.137 1.004) 1.517 25.076 ( 0.000 -30.171 10.334) 31.892 25.488 ( 0.000 -11.759 1.747) 11.888 26.254 ( 0.000 13.471 -0.347) 13.475 26.717 ( 0.000 28.063 -20.413) 34.701 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.17 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 7.148 12.037 7.277) 15.777 1.080 ( 5.914 2.379 17.723) 18.835 1.534 ( 14.037 0.305 16.362) 21.560 1.784 ( -1.604 6.456 9.329) 11.458 2.108 ( 17.458 2.232 8.010) 19.337 2.454 ( 0.126 -2.349 2.419) 3.374 2.672 ( 1.466 3.955 -4.500) 6.168 3.144 ( 2.527 -2.722 -0.941) 3.831 3.517 ( 19.381 8.335 -3.167) 21.334 4.119 ( -7.931 2.091 3.037) 8.746 4.760 ( 2.589 17.748 11.748) 21.441 5.067 ( -4.649 6.743 12.418) 14.876 5.805 ( -1.997 9.762 -11.039) 14.871 6.180 ( 0.562 -0.680 -10.147) 10.185 7.477 ( -16.193 -12.104 -1.255) 20.256 7.836 ( -12.781 -8.541 0.227) 15.374 8.604 ( 10.080 -4.024 1.827) 11.006 9.016 ( 7.214 12.956 2.035) 14.968 9.917 ( -1.514 -17.778 -4.555) 18.415 10.099 ( 2.518 -16.078 -9.575) 18.881 10.580 ( 1.425 -8.160 -2.142) 8.556 10.957 ( 7.770 3.718 -0.906) 8.661 11.366 ( 9.104 4.692 -1.838) 10.406 11.838 ( -5.614 -14.247 -2.420) 15.504 12.201 ( 1.605 -2.302 -12.140) 12.460 12.839 ( -10.181 11.884 -13.167) 20.452 14.017 ( 5.497 12.581 2.801) 14.012 14.145 ( 1.397 16.872 0.840) 16.951 15.960 ( 0.421 -9.047 -19.036) 21.080 16.427 ( -7.107 10.535 -2.598) 12.971 18.276 ( 1.911 -14.278 7.165) 16.089 18.791 ( -10.838 -1.034 7.542) 13.244 19.628 ( 12.493 -22.193 13.979) 29.053 20.549 ( -9.459 14.785 7.152) 18.953 23.166 ( 5.302 3.414 7.628) 9.897 23.661 ( -2.437 0.745 1.038) 2.751 23.783 ( -0.322 -0.461 2.984) 3.036 24.054 ( -7.021 1.694 3.883) 8.200 25.175 ( 7.823 -28.305 5.250) 29.832 25.501 ( 0.956 -13.450 1.006) 13.521 26.268 ( 1.503 14.558 -0.736) 14.654 26.653 ( -5.650 26.293 -15.624) 31.102 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 9.402 7.449 8.151) 14.503 1.256 ( 8.666 -0.925 10.875) 13.937 1.673 ( 1.527 8.346 11.990) 14.688 1.822 ( 2.930 3.258 4.904) 6.576 2.355 ( 6.800 0.668 1.515) 6.999 2.515 ( 2.011 -6.837 -6.128) 9.399 2.798 ( 13.956 0.692 0.560) 13.985 3.198 ( 1.245 -4.684 -5.851) 7.597 3.816 ( 8.217 2.728 0.104) 8.658 3.968 ( -4.892 1.769 5.513) 7.580 4.804 ( 1.761 15.149 13.021) 20.054 4.950 ( -6.130 11.942 15.293) 20.348 5.813 ( 2.580 0.544 -12.287) 12.567 6.211 ( 2.047 3.102 -10.275) 10.927 7.177 ( -10.687 -9.083 5.156) 14.943 7.502 ( -18.937 1.766 1.249) 19.060 8.838 ( 11.515 -3.838 -4.344) 12.891 9.141 ( 4.576 5.254 5.526) 8.893 9.913 ( 1.146 -16.556 -8.138) 18.484 10.075 ( -4.651 -13.946 -12.619) 19.374 10.655 ( 5.766 -10.037 -2.640) 11.873 11.039 ( -0.295 1.050 -3.943) 4.091 11.604 ( 12.595 5.006 -7.384) 15.434 11.835 ( 6.923 -11.456 0.653) 13.401 12.177 ( -3.222 -3.815 -5.440) 7.384 12.543 ( -18.747 8.467 -5.388) 21.265 14.137 ( 5.728 15.568 -3.444) 16.942 14.194 ( 2.675 17.421 -1.958) 17.734 15.992 ( 3.176 -6.095 -14.098) 15.684 16.260 ( -9.065 5.772 -4.232) 11.550 18.334 ( 3.982 -11.671 8.759) 15.125 18.591 ( -9.031 -5.548 11.342) 15.523 19.874 ( 12.114 -10.137 9.006) 18.182 20.336 ( -11.366 8.716 8.731) 16.775 23.292 ( 7.016 2.316 4.800) 8.811 23.581 ( -5.448 2.039 1.520) 6.012 23.793 ( 1.318 -0.450 4.050) 4.283 23.926 ( -5.374 1.633 5.224) 7.670 25.320 ( 6.262 -24.181 0.585) 24.986 25.508 ( -0.544 -17.030 0.010) 17.039 26.317 ( 3.584 16.968 -2.029) 17.461 26.528 ( -6.483 22.631 -8.721) 25.104 ======================= Grid point 17 (12/144) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 2.349 10.158) 10.427 1.308 ( 0.000 4.399 5.594) 7.117 1.738 ( -0.000 6.882 8.211) 10.714 1.799 ( 0.000 6.937 7.471) 10.195 2.433 ( 0.000 -5.621 -6.272) 8.422 2.510 ( 0.000 -3.052 -3.990) 5.023 3.065 ( 0.000 -7.062 -7.159) 10.056 3.126 ( 0.000 3.847 -0.285) 3.857 3.858 ( 0.000 -0.649 7.531) 7.559 3.954 ( 0.000 -0.644 2.043) 2.142 4.831 ( 0.000 11.277 17.758) 21.037 4.873 ( 0.000 17.226 11.533) 20.730 5.855 ( 0.000 -5.703 -12.847) 14.056 6.228 ( 0.000 2.850 -8.495) 8.961 7.143 ( 0.000 1.472 7.878) 8.015 7.214 ( 0.000 -0.527 -0.220) 0.571 8.971 ( 0.000 -4.153 -5.666) 7.025 9.184 ( 0.000 2.631 6.899) 7.384 9.949 ( -0.000 -13.034 -12.252) 17.888 9.989 ( 0.000 -15.073 -10.522) 18.382 10.736 ( 0.000 -7.837 -4.784) 9.182 11.009 ( -0.000 -3.939 -3.094) 5.009 11.738 ( 0.000 -4.492 -13.623) 14.344 12.050 ( -0.000 -2.400 5.297) 5.815 12.153 ( 0.000 3.784 -6.493) 7.515 12.199 ( -0.000 2.435 1.406) 2.812 14.212 ( -0.000 17.139 -8.177) 18.990 14.212 ( 0.000 16.499 -0.802) 16.519 16.081 ( 0.000 -1.096 -8.604) 8.674 16.108 ( -0.000 -0.128 -8.420) 8.421 18.424 ( -0.000 -9.355 11.855) 15.102 18.451 ( 0.000 -7.736 9.096) 11.941 20.081 ( 0.000 -1.284 10.789) 10.866 20.135 ( -0.000 1.160 6.265) 6.371 23.403 ( 0.000 0.406 2.220) 2.257 23.485 ( -0.000 4.054 3.656) 5.459 23.823 ( -0.000 -0.299 4.695) 4.704 23.856 ( 0.000 1.348 4.789) 4.975 25.394 ( 0.000 -21.096 -1.168) 21.129 25.491 ( -0.000 -19.815 0.159) 19.816 26.398 ( 0.000 20.340 -4.809) 20.901 26.418 ( -0.000 18.709 -4.064) 19.146 ======================= Grid point 21 (13/144) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 2.678 5.307) 5.945 1.241 ( 0.000 16.805 2.223) 16.951 1.717 ( 0.000 -2.409 19.475) 19.623 1.997 ( 0.000 -7.859 5.123) 9.382 2.042 ( 0.000 3.392 5.510) 6.471 2.591 ( 0.000 0.679 3.971) 4.029 2.731 ( 0.000 12.903 4.469) 13.655 3.149 ( 0.000 -0.360 -6.765) 6.775 3.426 ( 0.000 9.384 13.489) 16.432 4.176 ( 0.000 -4.565 -2.707) 5.307 5.166 ( 0.000 25.369 9.304) 27.021 5.415 ( 0.000 6.412 13.563) 15.002 5.895 ( 0.000 27.408 -0.629) 27.416 6.002 ( 0.000 -3.796 -3.627) 5.250 7.364 ( 0.000 -10.157 -12.695) 16.259 7.825 ( 0.000 -16.902 4.325) 17.446 8.622 ( 0.000 -2.312 7.471) 7.821 9.043 ( 0.000 10.330 -3.832) 11.017 9.663 ( 0.000 -21.961 -8.165) 23.430 9.740 ( 0.000 -15.039 -9.042) 17.548 10.429 ( 0.000 -10.146 -4.605) 11.142 10.923 ( 0.000 0.750 4.096) 4.164 11.283 ( 0.000 0.734 0.095) 0.740 11.784 ( 0.000 4.593 -22.312) 22.780 11.822 ( 0.000 -8.560 -1.598) 8.708 12.790 ( 0.000 7.510 -11.433) 13.678 14.219 ( 0.000 12.878 8.885) 15.646 14.308 ( 0.000 14.115 0.551) 14.125 15.472 ( 0.000 -7.079 -21.843) 22.961 16.602 ( 0.000 9.696 0.517) 9.710 18.178 ( 0.000 -18.757 3.849) 19.148 18.992 ( 0.000 8.421 -0.670) 8.448 19.548 ( 0.000 -26.173 18.251) 31.908 20.867 ( 0.000 12.378 2.627) 12.654 23.321 ( 0.000 3.881 9.040) 9.837 23.710 ( 0.000 -0.110 1.614) 1.618 23.853 ( 0.000 0.127 4.794) 4.795 24.183 ( 0.000 1.677 1.950) 2.573 24.959 ( 0.000 -18.716 3.889) 19.116 25.418 ( 0.000 -9.902 2.444) 10.200 26.364 ( 0.000 11.341 -1.289) 11.414 26.622 ( 0.000 15.708 -14.158) 21.147 ======================= Grid point 22 (14/144) ======================= q-point: ( 0.17 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 3.703 5.327 5.037) 8.213 1.349 ( 6.534 6.140 7.758) 11.856 1.791 ( 6.290 -1.712 12.711) 14.285 1.980 ( -2.851 2.486 6.548) 7.562 2.110 ( 7.929 -8.037 0.596) 11.306 2.533 ( -4.801 1.292 2.747) 5.681 2.731 ( 0.277 6.450 3.180) 7.196 3.126 ( 0.260 3.408 -0.629) 3.475 3.630 ( 14.860 6.351 6.080) 17.266 4.122 ( -4.963 -4.810 -1.438) 7.059 5.200 ( 2.946 25.428 10.385) 27.624 5.401 ( -1.665 4.386 13.478) 14.271 5.832 ( -5.030 24.365 1.090) 24.903 6.032 ( 3.355 1.608 -4.491) 5.832 7.293 ( -7.092 -11.403 -5.293) 14.434 7.772 ( -6.220 -9.183 2.621) 11.397 8.588 ( -0.204 -1.921 -0.562) 2.012 9.128 ( 6.129 1.971 -0.649) 6.471 9.609 ( -3.351 -20.962 -9.001) 23.057 9.803 ( 3.204 -11.311 -6.973) 13.668 10.429 ( 1.614 -9.857 -4.244) 10.852 10.991 ( 4.077 -0.369 3.000) 5.075 11.304 ( 1.795 1.706 -8.802) 9.144 11.666 ( -1.269 -3.343 -5.980) 6.968 11.980 ( 6.714 -2.593 -9.349) 11.798 12.711 ( -7.958 6.235 -10.330) 14.454 14.175 ( -2.522 12.950 0.116) 13.193 14.346 ( 2.075 15.042 3.330) 15.545 15.535 ( 6.451 -5.851 -17.738) 19.761 16.514 ( -8.586 8.636 0.338) 12.183 18.227 ( 4.745 -17.593 5.247) 18.962 18.899 ( -8.077 1.398 4.600) 9.400 19.666 ( 10.507 -18.175 12.051) 24.207 20.768 ( -9.499 11.082 3.152) 14.932 23.352 ( 2.899 3.473 8.226) 9.388 23.697 ( -1.435 0.730 1.982) 2.554 23.853 ( 0.267 -0.150 5.122) 5.132 24.131 ( -4.599 1.880 3.212) 5.917 25.017 ( 5.188 -18.114 2.429) 18.998 25.406 ( -1.248 -10.751 1.774) 10.968 26.377 ( 1.405 11.796 -1.697) 12.000 26.603 ( -1.912 15.321 -12.322) 19.754 ======================= Grid point 23 (15/144) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 9.544 1.522 5.448) 11.095 1.464 ( 4.313 0.829 11.353) 12.173 1.880 ( 1.897 0.329 2.929) 3.505 1.957 ( 0.805 4.805 5.878) 7.634 2.266 ( 5.760 -6.103 -2.673) 8.807 2.440 ( -3.841 -0.582 -0.646) 3.938 2.772 ( 4.512 -4.909 -0.962) 6.737 3.161 ( 2.172 6.768 0.932) 7.169 3.869 ( 8.000 0.095 3.049) 8.562 4.015 ( -4.848 -6.285 1.381) 8.056 5.256 ( 2.235 22.208 14.022) 26.359 5.352 ( -2.695 6.084 12.380) 14.055 5.737 ( -3.958 20.544 -0.684) 20.933 6.142 ( 6.583 5.665 -0.729) 8.715 7.150 ( -4.210 -8.469 2.396) 9.757 7.558 ( -14.742 0.921 3.929) 15.284 8.664 ( 6.544 -4.530 -9.778) 12.608 9.226 ( 3.270 -8.557 0.454) 9.172 9.578 ( 0.786 -19.889 -9.699) 22.142 9.788 ( -4.681 -5.119 -5.750) 9.010 10.527 ( 7.662 -6.801 -1.996) 10.438 10.995 ( -4.100 -1.450 -0.372) 4.364 11.334 ( 2.071 -3.593 -18.120) 18.589 11.813 ( 14.425 -0.656 -0.158) 14.440 12.051 ( 0.875 -3.227 -4.763) 5.820 12.485 ( -14.568 3.954 -7.192) 16.721 14.151 ( 0.047 13.374 -9.346) 16.316 14.367 ( 0.141 15.562 0.907) 15.589 15.722 ( 12.182 -2.519 -9.491) 15.647 16.287 ( -13.770 5.730 -0.563) 14.925 18.352 ( 7.712 -14.536 7.873) 18.241 18.717 ( -9.821 -5.998 9.296) 14.793 19.916 ( 14.319 -8.073 5.528) 17.342 20.523 ( -14.550 6.878 3.811) 16.539 23.422 ( 3.793 2.240 6.141) 7.558 23.653 ( -2.711 2.593 3.686) 5.259 23.873 ( 1.889 -0.161 5.336) 5.663 24.031 ( -5.005 1.885 4.737) 7.145 25.132 ( 5.814 -16.564 0.606) 17.565 25.367 ( -2.714 -12.713 0.536) 13.010 26.419 ( 2.763 12.756 -2.968) 13.385 26.551 ( -3.176 14.435 -8.535) 17.068 ======================= Grid point 24 (16/144) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 -1.048 5.441) 5.541 1.488 ( 0.000 1.378 11.826) 11.906 1.915 ( -0.000 0.171 -0.736) 0.756 1.952 ( 0.000 7.361 5.449) 9.158 2.310 ( 0.000 -1.858 -0.901) 2.065 2.404 ( -0.000 -3.283 -3.330) 4.676 2.848 ( 0.000 -9.618 -5.412) 11.036 3.180 ( 0.000 7.513 0.037) 7.513 3.935 ( 0.000 -5.638 2.518) 6.174 3.971 ( 0.000 -5.908 3.963) 7.114 5.280 ( 0.000 3.369 15.975) 16.326 5.319 ( 0.000 26.732 13.427) 29.915 5.696 ( 0.000 16.228 -4.447) 16.827 6.215 ( 0.000 4.721 3.444) 5.844 7.182 ( 0.000 -3.823 0.726) 3.891 7.314 ( 0.000 4.404 7.801) 8.958 8.749 ( 0.000 -5.846 -12.813) 14.083 9.255 ( 0.000 -13.556 0.864) 13.583 9.620 ( 0.000 -21.827 -11.959) 24.889 9.696 ( -0.000 0.632 -4.222) 4.269 10.642 ( 0.000 -1.959 0.377) 1.995 10.912 ( -0.000 -5.511 -2.277) 5.963 11.368 ( 0.000 -4.986 -20.142) 20.750 12.046 ( -0.000 -6.165 0.179) 6.167 12.104 ( 0.000 4.777 -4.181) 6.349 12.203 ( -0.000 1.562 -3.883) 4.185 14.157 ( 0.000 13.292 -13.744) 19.120 14.365 ( 0.000 15.683 -0.365) 15.687 15.973 ( 0.000 0.990 -3.922) 4.045 16.020 ( -0.000 2.422 -2.805) 3.706 18.507 ( -0.000 -10.133 7.236) 12.452 18.541 ( 0.000 -11.254 12.422) 16.762 20.185 ( 0.000 0.003 -0.926) 0.926 20.251 ( -0.000 0.383 8.287) 8.296 23.470 ( 0.000 0.712 4.110) 4.172 23.616 ( 0.000 4.332 5.641) 7.113 23.911 ( 0.000 0.088 5.318) 5.319 23.962 ( 0.000 1.684 5.265) 5.528 25.207 ( 0.000 -14.958 0.101) 14.958 25.323 ( 0.000 -14.472 -0.128) 14.473 26.475 ( 0.000 14.245 -5.428) 15.244 26.491 ( -0.000 12.954 -4.961) 13.872 ======================= Grid point 28 (17/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 0.749 0.536) 0.921 1.435 ( 0.000 11.017 4.407) 11.865 1.931 ( 0.000 -3.451 6.773) 7.602 1.964 ( 0.000 -5.879 0.533) 5.903 2.184 ( 0.000 4.402 7.260) 8.490 2.597 ( 0.000 -2.039 -2.416) 3.161 2.979 ( 0.000 9.370 8.481) 12.638 3.047 ( 0.000 -0.376 -3.396) 3.417 3.739 ( 0.000 7.014 11.431) 13.412 4.034 ( 0.000 -6.628 -5.976) 8.924 5.369 ( 0.000 9.574 -7.290) 12.033 5.621 ( 0.000 5.774 5.052) 7.672 6.153 ( 0.000 12.718 16.363) 20.724 6.370 ( 0.000 28.712 13.238) 31.617 7.110 ( 0.000 -3.570 -2.364) 4.281 7.756 ( 0.000 -10.842 2.577) 11.144 8.678 ( 0.000 -7.345 0.893) 7.399 8.905 ( 0.000 -11.177 -11.579) 16.094 9.240 ( 0.000 -19.863 -13.080) 23.783 9.533 ( 0.000 0.565 -4.489) 4.524 10.245 ( 0.000 -10.503 -3.384) 11.035 11.005 ( 0.000 0.553 4.125) 4.162 11.305 ( 0.000 -1.187 2.765) 3.009 11.472 ( 0.000 4.487 -16.949) 17.533 11.703 ( 0.000 -3.162 -5.414) 6.270 12.693 ( 0.000 4.177 -5.777) 7.129 14.428 ( 0.000 10.047 -0.541) 10.061 14.497 ( 0.000 11.358 7.762) 13.757 15.086 ( 0.000 -4.635 -14.286) 15.019 16.694 ( 0.000 6.443 0.572) 6.469 18.049 ( 0.000 -14.972 1.165) 15.017 19.061 ( 0.000 5.977 0.088) 5.977 19.594 ( 0.000 -18.444 11.659) 21.820 20.993 ( 0.000 8.812 0.026) 8.812 23.486 ( 0.000 2.542 5.566) 6.119 23.735 ( 0.000 -0.161 1.310) 1.320 23.951 ( 0.000 -0.002 5.588) 5.588 24.241 ( 0.000 1.743 2.372) 2.944 24.855 ( 0.000 -10.675 0.970) 10.719 25.379 ( 0.000 -6.677 2.358) 7.081 26.429 ( 0.000 7.422 -1.672) 7.608 26.532 ( 0.000 8.425 -8.970) 12.306 ======================= Grid point 29 (18/144) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 3.318 0.866 2.037) 3.989 1.512 ( 6.244 6.919 4.116) 10.188 1.897 ( -1.819 -3.410 2.624) 4.672 2.007 ( 2.181 -4.898 1.158) 5.486 2.176 ( 0.393 1.934 6.652) 6.939 2.538 ( -5.182 -1.172 -1.921) 5.650 2.806 ( -7.133 0.288 2.489) 7.560 3.242 ( 8.640 10.482 4.601) 14.342 3.793 ( 4.569 1.616 6.172) 7.848 3.992 ( -3.666 -7.481 -4.856) 9.643 5.349 ( -1.824 3.393 -6.852) 7.861 5.694 ( 5.591 14.457 7.848) 17.374 6.147 ( 1.111 12.349 12.128) 17.344 6.348 ( -1.940 28.375 16.594) 32.928 7.130 ( 0.866 -5.193 0.217) 5.270 7.752 ( -1.076 -6.146 3.763) 7.287 8.516 ( -9.276 -4.015 -6.324) 11.923 8.936 ( -0.806 -20.839 -8.896) 22.673 9.189 ( -3.001 -19.706 -13.887) 24.294 9.713 ( 12.620 5.960 -0.926) 13.987 10.257 ( 2.851 -10.594 -2.969) 11.365 11.051 ( 1.997 -2.206 4.786) 5.636 11.133 ( -9.958 3.703 -11.423) 15.600 11.567 ( 6.708 -1.318 -2.898) 7.425 11.812 ( 8.255 -0.967 -7.775) 11.381 12.615 ( -7.793 3.384 -5.480) 10.110 14.268 ( -10.538 9.140 -1.913) 14.080 14.520 ( -0.271 9.869 1.187) 9.944 15.269 ( 15.680 -1.507 -7.328) 17.374 16.589 ( -10.037 5.648 0.019) 11.517 18.136 ( 8.186 -13.969 2.669) 16.410 18.981 ( -7.267 1.025 3.160) 7.990 19.688 ( 8.768 -12.975 7.673) 17.438 20.889 ( -10.206 7.903 0.174) 12.910 23.501 ( 1.358 2.112 5.063) 5.652 23.738 ( 0.249 0.519 1.765) 1.857 23.954 ( 0.428 0.067 5.726) 5.742 24.207 ( -3.199 1.812 3.009) 4.751 24.902 ( 4.382 -10.488 0.562) 11.381 25.351 ( -2.827 -7.095 1.819) 7.851 26.440 ( 1.044 7.614 -1.941) 7.927 26.534 ( 0.033 8.297 -8.094) 11.591 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 8.722 -1.817 2.655) 9.296 1.619 ( 3.445 1.739 3.294) 5.074 1.860 ( -1.887 -2.549 0.075) 3.172 2.024 ( -0.420 0.409 -0.945) 1.112 2.243 ( 6.062 -3.510 2.394) 7.402 2.430 ( -5.007 -0.410 -0.089) 5.025 2.734 ( -0.220 -1.459 2.515) 2.916 3.314 ( -1.408 12.178 3.997) 12.895 3.855 ( -0.344 -7.726 -3.400) 8.448 3.951 ( 1.703 -7.187 2.733) 7.875 5.306 ( -2.206 -3.513 -5.619) 6.984 5.781 ( 3.281 24.779 11.073) 27.339 6.168 ( -2.012 25.207 10.548) 27.399 6.362 ( 4.812 11.849 17.175) 21.414 7.141 ( 2.066 -4.093 5.463) 7.132 7.661 ( -8.838 2.647 5.990) 11.000 8.428 ( 0.018 -4.126 -11.604) 12.316 8.912 ( 0.013 -26.322 -11.701) 28.806 9.140 ( -2.063 -24.221 -14.459) 28.284 9.831 ( -1.354 10.860 2.771) 11.289 10.437 ( 14.896 -6.904 -1.411) 16.479 10.990 ( -5.853 -6.552 -2.203) 9.058 11.020 ( -4.055 4.995 -9.455) 11.436 11.775 ( 14.272 -1.000 -3.031) 14.625 11.942 ( 4.241 -1.461 -4.679) 6.482 12.397 ( -13.931 1.576 -5.086) 14.914 14.095 ( -6.265 8.271 -8.260) 13.263 14.503 ( -0.936 9.798 0.036) 9.843 15.617 ( 18.563 0.964 -2.179) 18.716 16.329 ( -15.630 4.234 -0.479) 16.201 18.337 ( 11.344 -11.647 5.200) 17.070 18.806 ( -10.012 -5.238 6.884) 13.231 19.912 ( 13.411 -5.298 1.663) 14.515 20.622 ( -15.768 5.074 0.989) 16.594 23.530 ( 1.310 1.062 3.865) 4.217 23.742 ( 0.113 2.086 3.067) 3.711 23.976 ( 1.913 0.331 5.681) 6.004 24.131 ( -4.177 1.761 4.090) 6.105 25.009 ( 6.024 -9.891 0.189) 11.582 25.274 ( -4.695 -8.111 0.632) 9.393 26.468 ( 1.732 7.933 -2.752) 8.574 26.528 ( -0.734 8.085 -6.125) 10.170 ======================= Grid point 31 (20/144) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 -2.854 3.254) 4.328 1.639 ( 0.000 -1.346 2.443) 2.789 1.841 ( -0.000 -1.435 -1.764) 2.274 2.010 ( 0.000 1.845 -3.265) 3.751 2.347 ( 0.000 0.569 3.442) 3.489 2.351 ( -0.000 -3.458 -0.329) 3.474 2.757 ( 0.000 -1.729 2.749) 3.248 3.266 ( 0.000 8.501 0.270) 8.506 3.837 ( 0.000 -8.827 -4.158) 9.757 3.989 ( 0.000 -7.851 5.621) 9.656 5.281 ( 0.000 -5.812 -4.842) 7.565 5.821 ( 0.000 27.433 10.430) 29.349 6.125 ( 0.000 30.524 14.422) 33.760 6.427 ( 0.000 3.243 14.594) 14.950 7.213 ( 0.000 -2.168 7.221) 7.539 7.507 ( 0.000 7.915 7.234) 10.723 8.444 ( 0.000 -4.902 -14.014) 14.847 8.925 ( 0.000 -28.333 -10.053) 30.064 9.117 ( 0.000 -26.100 -16.956) 31.124 9.787 ( 0.000 11.775 1.845) 11.919 10.697 ( 0.000 1.405 4.858) 5.057 10.821 ( -0.000 -9.782 0.201) 9.784 11.000 ( 0.000 1.906 -16.976) 17.082 11.979 ( 0.000 -2.103 -2.731) 3.447 12.073 ( 0.000 0.325 -1.973) 2.000 12.106 ( -0.000 -0.227 -6.786) 6.790 14.033 ( 0.000 8.131 -10.917) 13.613 14.493 ( 0.000 9.982 0.157) 9.984 15.936 ( 0.000 1.196 -1.900) 2.245 16.038 ( -0.000 4.039 0.414) 4.060 18.520 ( 0.000 -8.128 4.611) 9.344 18.638 ( 0.000 -9.932 9.997) 14.092 20.130 ( 0.000 0.197 -4.371) 4.376 20.377 ( -0.000 1.126 4.893) 5.021 23.544 ( 0.000 0.421 3.146) 3.174 23.743 ( 0.000 2.964 3.921) 4.915 24.013 ( 0.000 0.610 5.408) 5.442 24.070 ( 0.000 1.585 4.691) 4.952 25.098 ( -0.000 -8.993 0.734) 9.022 25.200 ( 0.000 -9.192 -0.575) 9.210 26.498 ( 0.000 8.439 -4.195) 9.424 26.509 ( -0.000 7.624 -4.128) 8.670 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 0.077 -0.191) 0.206 1.598 ( 0.000 5.156 3.520) 6.243 1.927 ( 0.000 -1.870 -0.066) 1.871 1.945 ( 0.000 -2.545 0.096) 2.547 2.329 ( 0.000 1.759 3.926) 4.301 2.514 ( 0.000 -1.279 -3.008) 3.269 3.022 ( 0.000 0.335 -0.157) 0.369 3.162 ( 0.000 3.208 3.975) 5.108 3.886 ( 0.000 -3.311 -3.434) 4.770 3.937 ( 0.000 2.748 4.509) 5.280 5.277 ( 0.000 0.736 -4.681) 4.739 5.744 ( 0.000 3.524 2.628) 4.396 6.551 ( 0.000 1.012 -3.228) 3.383 6.598 ( 0.000 12.464 11.940) 17.260 7.475 ( 0.000 23.777 22.641) 32.832 7.684 ( 0.000 -5.880 -0.909) 5.950 8.334 ( 0.000 -24.047 -18.408) 30.284 8.572 ( 0.000 -9.853 -7.936) 12.652 9.004 ( 0.000 -2.425 -1.603) 2.907 9.519 ( 0.000 3.066 -1.291) 3.326 10.132 ( 0.000 -4.655 -0.528) 4.685 11.066 ( 0.000 0.530 1.636) 1.719 11.288 ( 0.000 1.797 -6.550) 6.792 11.356 ( 0.000 -1.609 3.827) 4.152 11.581 ( 0.000 -0.171 -5.191) 5.194 12.660 ( 0.000 1.483 -1.464) 2.084 14.487 ( 0.000 3.685 -0.427) 3.709 14.682 ( 0.000 4.664 3.154) 5.630 14.883 ( 0.000 -1.671 -4.774) 5.058 16.744 ( 0.000 2.259 0.183) 2.266 17.951 ( 0.000 -5.788 0.063) 5.788 19.104 ( 0.000 2.085 0.101) 2.087 19.607 ( 0.000 -6.835 3.984) 7.911 21.049 ( 0.000 3.333 -0.323) 3.349 23.567 ( 0.000 0.848 1.702) 1.902 23.751 ( 0.000 -0.074 0.540) 0.545 24.029 ( 0.000 -0.055 2.555) 2.555 24.288 ( 0.000 0.781 1.116) 1.362 24.792 ( 0.000 -3.507 0.001) 3.507 25.366 ( 0.000 -2.395 1.026) 2.605 26.455 ( 0.000 2.582 -0.794) 2.701 26.477 ( 0.000 2.700 -3.135) 4.138 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.17 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.646 -0.099 0.231) 3.655 1.627 ( 1.842 3.193 2.277) 4.333 1.904 ( -0.386 -0.244 1.641) 1.703 1.967 ( 1.080 -3.009 -1.490) 3.527 2.263 ( -5.508 -0.036 1.897) 5.826 2.481 ( -2.789 -0.592 -1.951) 3.455 2.867 ( -6.257 0.601 2.781) 6.874 3.404 ( 13.666 5.537 2.574) 14.968 3.818 ( -7.488 -2.415 -2.011) 8.120 3.902 ( -1.543 -2.147 1.205) 2.906 5.248 ( -2.580 -0.214 -3.761) 4.566 5.886 ( 11.822 6.001 2.778) 13.546 6.476 ( -2.125 7.348 4.623) 8.938 6.686 ( 3.848 6.635 5.097) 9.210 7.408 ( -4.354 16.390 18.060) 24.774 7.793 ( 7.737 -0.002 4.902) 9.159 8.230 ( -8.299 -9.235 -15.292) 19.698 8.489 ( -5.326 -23.027 -11.459) 26.266 8.900 ( -9.212 -4.087 -3.690) 10.732 9.778 ( 20.568 5.608 -0.346) 21.322 10.142 ( 0.879 -6.046 -0.140) 6.111 11.005 ( -13.562 1.883 -4.890) 14.539 11.109 ( 1.934 -0.716 2.355) 3.130 11.530 ( 5.651 -1.458 0.162) 5.838 11.692 ( 10.601 0.547 -4.608) 11.573 12.579 ( -8.170 1.181 -1.416) 8.375 14.296 ( -15.333 3.120 -1.294) 15.700 14.580 ( -1.774 2.763 -0.543) 3.328 15.214 ( 21.162 0.898 -0.536) 21.188 16.625 ( -11.128 1.911 -0.138) 11.292 18.067 ( 10.658 -5.315 0.741) 11.933 19.027 ( -7.019 0.251 1.198) 7.125 19.689 ( 7.706 -4.804 2.516) 9.423 20.940 ( -10.630 2.992 -0.267) 11.046 23.572 ( 0.452 0.637 1.524) 1.713 23.765 ( 1.278 0.200 0.704) 1.472 24.034 ( 0.652 0.061 2.601) 2.682 24.262 ( -2.542 0.789 1.318) 2.970 24.835 ( 4.214 -3.484 -0.067) 5.468 25.328 ( -3.739 -2.524 0.810) 4.583 26.464 ( 0.853 2.686 -0.853) 2.945 26.488 ( 0.883 2.610 -2.889) 3.992 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 7.947 -1.079 0.288) 8.025 1.630 ( -1.641 -0.184 -0.771) 1.823 1.889 ( -1.993 0.231 3.064) 3.663 1.984 ( -1.007 -0.269 -2.792) 2.980 2.220 ( 3.741 -2.842 -0.209) 4.703 2.426 ( -2.339 -0.050 -0.008) 2.340 2.816 ( 0.718 1.461 3.709) 4.051 3.497 ( -8.532 10.258 3.000) 13.675 3.682 ( -1.371 -8.295 -4.407) 9.493 3.939 ( 5.144 -4.326 1.629) 6.916 5.189 ( -2.923 -1.424 -3.222) 4.578 6.088 ( 6.803 10.168 3.328) 12.679 6.503 ( 3.760 9.791 5.736) 11.955 6.719 ( -0.275 4.389 7.251) 8.480 7.365 ( 1.187 10.352 14.079) 17.515 7.840 ( -5.050 4.980 7.877) 10.600 8.167 ( 3.004 -0.284 -11.760) 12.141 8.422 ( -0.383 -25.931 -12.095) 28.616 8.702 ( -9.480 -11.667 -8.779) 17.408 9.975 ( -4.380 7.249 1.393) 8.583 10.340 ( 21.615 -5.509 -1.207) 22.339 10.848 ( -2.412 1.129 -4.275) 5.036 11.046 ( -9.133 -0.403 1.995) 9.357 11.707 ( 13.030 -0.923 -2.372) 13.276 11.871 ( 6.510 -0.134 -2.019) 6.817 12.346 ( -14.923 0.419 -1.601) 15.014 14.043 ( -9.162 2.770 -3.220) 10.099 14.564 ( -0.316 3.099 -0.141) 3.119 15.619 ( 19.506 1.081 0.142) 19.537 16.351 ( -15.758 1.567 -0.290) 15.839 18.318 ( 13.586 -4.406 1.801) 14.395 18.856 ( -9.912 -2.217 2.692) 10.508 19.887 ( 11.848 -1.804 -0.009) 11.984 20.666 ( -15.767 1.935 0.172) 15.886 23.581 ( 0.368 0.270 1.214) 1.297 23.793 ( 1.323 0.724 1.030) 1.827 24.059 ( 1.906 0.291 2.585) 3.225 24.198 ( -3.624 0.749 1.706) 4.075 24.944 ( 6.443 -3.353 -0.049) 7.264 25.229 ( -5.993 -2.846 0.309) 6.642 26.485 ( 1.119 2.758 -1.093) 3.170 26.503 ( 0.498 2.565 -2.291) 3.475 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.000 -1.473 0.943) 1.749 1.585 ( 0.000 -1.545 -2.564) 2.994 1.857 ( -0.000 0.100 1.445) 1.449 1.957 ( 0.000 0.158 -2.237) 2.243 2.300 ( 0.000 -2.522 -0.920) 2.684 2.400 ( -0.000 0.240 1.500) 1.519 2.852 ( 0.000 2.148 4.053) 4.587 3.338 ( 0.000 3.951 0.284) 3.961 3.680 ( 0.000 -4.762 -3.607) 5.974 4.010 ( 0.000 -3.776 2.919) 4.772 5.156 ( 0.000 -1.966 -3.244) 3.794 6.151 ( 0.000 11.644 3.438) 12.141 6.549 ( 0.000 13.387 5.228) 14.372 6.707 ( 0.000 1.172 10.243) 10.310 7.418 ( 0.000 5.505 11.135) 12.422 7.736 ( 0.000 10.353 6.785) 12.378 8.212 ( 0.000 -0.890 -6.888) 6.945 8.456 ( -0.000 -19.441 -10.919) 22.297 8.583 ( 0.000 -19.429 -12.925) 23.335 9.894 ( 0.000 5.477 -0.077) 5.477 10.726 ( -0.000 -5.683 -0.514) 5.706 10.790 ( 0.000 1.011 2.804) 2.980 10.847 ( -0.000 2.759 -4.301) 5.109 11.923 ( 0.000 -0.813 -1.479) 1.688 12.000 ( 0.000 -0.449 -3.512) 3.540 12.048 ( -0.000 -0.001 -0.833) 0.833 13.952 ( 0.000 2.775 -3.904) 4.790 14.561 ( 0.000 3.251 0.134) 3.253 15.921 ( 0.000 0.410 -0.674) 0.789 16.083 ( -0.000 2.066 0.537) 2.135 18.519 ( 0.000 -3.038 1.582) 3.425 18.695 ( 0.000 -4.142 4.010) 5.765 20.066 ( 0.000 0.265 -2.378) 2.393 20.444 ( -0.000 0.556 1.610) 1.704 23.585 ( 0.000 0.114 1.081) 1.087 23.807 ( 0.000 0.970 1.201) 1.544 24.095 ( -0.000 0.453 2.510) 2.550 24.144 ( 0.000 0.657 1.909) 2.019 25.051 ( -0.000 -3.021 0.443) 3.053 25.127 ( 0.000 -3.264 -0.392) 3.288 26.501 ( 0.000 2.810 -1.575) 3.221 26.505 ( -0.000 2.526 -1.637) 3.010 ======================= Grid point 84 (25/144) ======================= q-point: ( 0.00 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.000 -0.000 14.146) 14.146 0.882 ( 0.000 -0.000 17.535) 17.535 1.569 ( 0.000 -0.000 32.458) 32.458 1.617 ( 0.000 -0.000 9.917) 9.917 1.823 ( 0.000 -0.000 22.342) 22.342 2.484 ( 0.000 -0.000 4.386) 4.386 2.628 ( 0.000 0.000 -12.345) 12.345 3.016 ( 0.000 -0.000 13.785) 13.785 3.222 ( 0.000 0.000 -5.562) 5.562 4.215 ( 0.000 -0.000 6.009) 6.009 4.520 ( 0.000 -0.000 11.248) 11.248 5.075 ( 0.000 -0.000 4.575) 4.575 5.717 ( 0.000 0.000 -13.191) 13.191 6.208 ( 0.000 0.000 -8.987) 8.987 7.746 ( 0.000 0.000 -10.408) 10.408 8.351 ( 0.000 0.000 -5.973) 5.973 8.546 ( 0.000 -0.000 7.059) 7.059 8.565 ( 0.000 -0.000 5.222) 5.222 10.134 ( 0.000 0.000 -4.424) 4.424 10.216 ( 0.000 0.000 -7.238) 7.238 10.628 ( 0.000 0.000 -0.267) 0.267 10.782 ( 0.000 -0.000 1.838) 1.838 11.270 ( 0.000 -0.000 2.691) 2.691 12.117 ( 0.000 0.000 -23.210) 23.210 12.420 ( 0.000 -0.000 0.195) 0.195 12.484 ( 0.000 0.000 -11.047) 11.047 13.855 ( 0.000 -0.000 7.648) 7.648 13.961 ( 0.000 -0.000 3.708) 3.708 16.081 ( 0.000 0.000 -29.132) 29.132 16.355 ( 0.000 -0.000 4.497) 4.497 18.436 ( 0.000 -0.000 10.126) 10.126 18.845 ( 0.000 0.000 -6.377) 6.377 20.141 ( 0.000 -0.000 12.363) 12.363 20.182 ( 0.000 -0.000 8.863) 8.863 23.066 ( 0.000 -0.000 10.318) 10.318 23.682 ( 0.000 -0.000 1.543) 1.543 23.794 ( 0.000 -0.000 1.796) 1.796 24.132 ( 0.000 -0.000 0.943) 0.943 25.645 ( 0.000 -0.000 0.180) 0.180 25.748 ( 0.000 0.000 -8.579) 8.579 26.067 ( 0.000 0.000 -0.496) 0.496 26.079 ( 0.000 -0.000 1.559) 1.559 ======================= Grid point 85 (26/144) ======================= q-point: ( 0.17 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 14.452 -0.000 11.568) 18.512 1.069 ( 11.089 -0.000 16.063) 19.519 1.560 ( 2.842 -0.000 24.850) 25.012 1.696 ( 6.609 -0.000 7.644) 10.105 2.064 ( 15.565 -0.000 15.892) 22.244 2.519 ( 7.280 -0.000 4.369) 8.490 2.622 ( -0.725 0.000 -11.265) 11.288 3.248 ( 2.512 0.000 -6.462) 6.933 3.360 ( 26.095 0.000 -0.166) 26.096 4.098 ( -9.186 -0.000 8.686) 12.642 4.582 ( 4.174 -0.000 10.158) 10.982 5.000 ( -7.477 -0.000 8.541) 11.352 5.712 ( 1.939 0.000 -13.404) 13.544 6.188 ( -1.610 0.000 -9.702) 9.835 7.602 ( -13.376 0.000 -2.585) 13.624 7.945 ( -25.904 0.000 -1.176) 25.931 8.657 ( 10.240 -0.000 1.334) 10.326 8.844 ( 14.348 -0.000 3.983) 14.891 10.109 ( -1.664 0.000 -7.130) 7.321 10.270 ( 1.785 0.000 -13.653) 13.770 10.719 ( 7.417 0.000 -0.590) 7.440 10.824 ( 4.276 0.000 -1.021) 4.396 11.335 ( 7.010 -0.000 3.069) 7.652 12.030 ( -4.488 0.000 -16.057) 16.672 12.382 ( -3.637 -0.000 0.150) 3.640 12.533 ( -0.689 0.000 -12.447) 12.466 13.899 ( 4.073 -0.000 6.384) 7.573 13.934 ( -0.785 -0.000 2.024) 2.171 16.074 ( -0.532 0.000 -26.839) 26.844 16.294 ( -5.303 -0.000 3.966) 6.622 18.440 ( 0.548 -0.000 10.167) 10.181 18.772 ( -6.393 -0.000 1.179) 6.501 20.105 ( -2.263 -0.000 12.133) 12.342 20.172 ( -1.012 -0.000 8.788) 8.846 23.132 ( 5.931 -0.000 7.677) 9.701 23.653 ( -3.106 -0.000 1.166) 3.318 23.789 ( -0.106 -0.000 2.796) 2.798 24.036 ( -7.344 -0.000 4.348) 8.534 25.675 ( 2.816 0.000 -0.867) 2.947 25.760 ( 0.990 0.000 -8.750) 8.806 26.063 ( -0.382 0.000 -0.114) 0.398 26.108 ( 1.645 -0.000 0.278) 1.669 ======================= Grid point 86 (27/144) ======================= q-point: ( 0.33 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 12.273 -0.000 10.921) 16.429 1.270 ( 7.495 -0.000 12.879) 14.901 1.577 ( 0.524 -0.000 15.113) 15.123 1.788 ( 0.550 -0.000 5.405) 5.433 2.348 ( 12.090 -0.000 4.261) 12.819 2.594 ( -2.258 0.000 -9.022) 9.301 2.782 ( 17.538 -0.000 4.231) 18.041 3.279 ( -1.717 0.000 -7.634) 7.825 3.777 ( 13.721 0.000 -2.883) 14.021 3.942 ( -4.832 -0.000 11.236) 12.231 4.647 ( 2.510 -0.000 10.627) 10.919 4.826 ( -8.513 -0.000 13.423) 15.895 5.845 ( 10.890 0.000 -15.196) 18.695 6.157 ( -1.844 0.000 -11.433) 11.581 7.302 ( -14.154 -0.000 4.931) 14.989 7.460 ( -21.641 -0.000 1.641) 21.703 8.895 ( 12.318 0.000 -2.689) 12.608 9.055 ( 6.596 -0.000 4.409) 7.933 10.089 ( -0.161 0.000 -9.158) 9.160 10.220 ( -5.646 0.000 -15.599) 16.589 10.855 ( 5.534 0.000 -5.380) 7.719 10.911 ( 3.152 0.000 -6.330) 7.071 11.559 ( 15.492 -0.000 3.618) 15.909 12.005 ( 1.046 0.000 -10.861) 10.911 12.288 ( -5.517 0.000 -0.314) 5.526 12.368 ( -14.246 0.000 -2.735) 14.507 13.971 ( 3.676 0.000 -2.999) 4.744 13.986 ( 3.861 -0.000 2.668) 4.694 16.069 ( 0.343 0.000 -20.052) 20.055 16.183 ( -5.367 0.000 -0.901) 5.442 18.464 ( 2.028 -0.000 10.392) 10.588 18.637 ( -6.619 -0.000 8.798) 11.010 20.085 ( 0.334 -0.000 9.900) 9.906 20.144 ( -1.736 -0.000 8.620) 8.793 23.270 ( 7.643 -0.000 4.767) 9.008 23.560 ( -6.148 -0.000 1.620) 6.357 23.799 ( 1.107 -0.000 3.932) 4.085 23.909 ( -5.076 -0.000 5.480) 7.470 25.739 ( 3.160 0.000 -3.798) 4.941 25.779 ( 0.806 0.000 -8.441) 8.479 26.059 ( 0.252 -0.000 1.084) 1.113 26.113 ( -1.117 -0.000 0.961) 1.474 ======================= Grid point 87 (28/144) ======================= q-point: (-0.50 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -7.750 -0.000 11.014) 13.467 1.244 ( 7.750 -0.000 11.014) 13.467 1.695 ( -7.631 0.000 8.864) 11.696 1.695 ( 7.631 0.000 8.864) 11.696 2.521 ( -4.496 0.000 -5.552) 7.144 2.521 ( 4.496 0.000 -5.552) 7.144 3.116 ( -14.188 0.000 -1.444) 14.261 3.116 ( 14.188 0.000 -1.444) 14.261 3.907 ( -0.249 0.000 5.426) 5.432 3.907 ( 0.249 0.000 5.426) 5.432 4.703 ( -3.955 -0.000 12.804) 13.401 4.703 ( 3.955 -0.000 12.804) 13.401 6.064 ( -3.032 0.000 -13.969) 14.294 6.064 ( 3.032 0.000 -13.969) 14.294 7.180 ( -2.364 0.000 5.004) 5.534 7.180 ( 2.364 0.000 5.004) 5.534 9.077 ( -1.655 0.000 0.393) 1.701 9.077 ( 1.655 0.000 0.393) 1.701 10.117 ( -2.256 0.000 -12.153) 12.361 10.117 ( 2.256 0.000 -12.153) 12.361 10.926 ( -0.122 0.000 -8.340) 8.341 10.926 ( 0.122 0.000 -8.340) 8.341 11.898 ( -9.546 0.000 -1.948) 9.743 11.898 ( 9.546 0.000 -1.948) 9.743 12.195 ( -1.234 0.000 0.086) 1.237 12.195 ( 1.234 0.000 0.086) 1.237 14.022 ( -0.409 0.000 -2.054) 2.095 14.022 ( 0.409 0.000 -2.054) 2.095 16.099 ( -2.514 0.000 -10.148) 10.454 16.099 ( 2.514 0.000 -10.148) 10.454 18.526 ( -4.250 -0.000 10.571) 11.394 18.526 ( 4.250 -0.000 10.571) 11.394 20.109 ( -0.901 0.000 8.709) 8.755 20.109 ( 0.901 0.000 8.709) 8.755 23.422 ( -6.556 0.000 2.989) 7.205 23.422 ( 6.556 0.000 2.989) 7.205 23.835 ( -2.235 -0.000 4.718) 5.220 23.835 ( 2.235 -0.000 4.718) 5.220 25.781 ( -0.059 0.000 -7.033) 7.033 25.781 ( 0.059 0.000 -7.033) 7.033 26.079 ( -0.345 0.000 1.984) 2.014 26.079 ( 0.345 0.000 1.984) 2.014 ======================= Grid point 91 (29/144) ======================= q-point: ( 0.00 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 13.630 10.487) 17.197 1.113 ( 0.000 1.284 7.563) 7.671 1.797 ( 0.000 -4.088 14.753) 15.309 1.982 ( 0.000 2.683 10.221) 10.567 2.185 ( 0.000 -10.425 14.496) 17.856 2.482 ( 0.000 11.924 -1.647) 12.038 2.595 ( 0.000 -0.684 6.817) 6.852 3.136 ( 0.000 1.130 -4.997) 5.123 3.333 ( 0.000 1.145 19.837) 19.870 4.309 ( 0.000 -6.457 6.322) 9.036 4.778 ( 0.000 11.416 10.306) 15.379 5.282 ( 0.000 7.627 16.060) 17.779 5.516 ( 0.000 8.109 -11.997) 14.481 6.063 ( 0.000 -1.805 -5.155) 5.462 7.508 ( 0.000 -3.953 -13.594) 14.157 8.145 ( 0.000 -13.191 -4.741) 14.017 8.652 ( 0.000 -0.824 5.347) 5.411 8.753 ( 0.000 13.395 3.575) 13.864 9.964 ( 0.000 -7.736 -10.521) 13.059 10.011 ( 0.000 -7.968 -10.953) 13.545 10.598 ( 0.000 -5.892 -0.643) 5.927 10.853 ( 0.000 3.441 3.640) 5.009 11.320 ( 0.000 -2.088 3.862) 4.390 11.678 ( 0.000 4.376 -26.559) 26.917 12.118 ( 0.000 -19.360 -5.698) 20.181 12.559 ( 0.000 15.809 -6.403) 17.056 14.046 ( 0.000 4.492 10.961) 11.846 14.068 ( 0.000 7.846 3.256) 8.495 15.551 ( 0.000 -1.368 -27.387) 27.421 16.465 ( 0.000 3.506 5.083) 6.174 18.517 ( 0.000 -15.281 3.526) 15.683 18.794 ( 0.000 11.544 -2.096) 11.733 20.071 ( 0.000 -25.253 9.222) 26.884 20.559 ( 0.000 18.842 7.257) 20.191 23.266 ( 0.000 1.509 10.435) 10.544 23.711 ( 0.000 -0.038 1.666) 1.666 23.852 ( 0.000 -0.010 4.756) 4.756 24.159 ( 0.000 0.661 1.850) 1.965 25.412 ( 0.000 -23.621 -5.527) 24.259 25.599 ( 0.000 -6.808 -0.541) 6.830 26.162 ( 0.000 7.378 2.443) 7.772 26.214 ( 0.000 22.324 -5.374) 22.961 ======================= Grid point 92 (30/144) ======================= q-point: ( 0.17 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 10.920 5.817 10.431) 16.183 1.270 ( 11.520 1.663 6.200) 13.188 1.842 ( 3.882 -2.778 11.998) 12.913 1.925 ( -4.213 2.385 10.811) 11.845 2.289 ( 6.889 -8.691 4.388) 11.927 2.465 ( -1.881 6.227 -0.923) 6.570 2.653 ( 7.497 0.894 9.596) 12.210 3.126 ( -0.056 -1.463 -4.737) 4.958 3.527 ( 16.393 3.328 13.032) 21.205 4.245 ( -5.425 -5.375 8.500) 11.427 4.822 ( 3.605 10.379 10.359) 15.101 5.259 ( -3.515 9.647 16.682) 19.588 5.510 ( 1.608 5.137 -10.481) 11.782 6.038 ( -1.831 -0.534 -5.724) 6.034 7.474 ( -4.584 -5.624 -7.910) 10.734 7.883 ( -20.120 -2.226 -2.958) 20.458 8.670 ( 3.721 -5.990 2.588) 7.512 8.961 ( 13.504 9.615 3.141) 16.873 9.908 ( -3.323 -8.476 -11.038) 14.309 10.018 ( -0.986 -5.853 -11.722) 13.139 10.628 ( 2.078 -9.775 -2.307) 10.256 10.869 ( 1.069 8.695 -1.159) 8.837 11.371 ( 5.682 -4.356 1.186) 7.257 11.684 ( 1.929 1.862 -18.765) 18.956 12.165 ( 2.837 -16.148 -6.208) 17.532 12.517 ( -4.385 13.956 -6.792) 16.128 14.000 ( -3.097 3.800 3.897) 6.262 14.084 ( 0.790 9.418 6.857) 11.676 15.600 ( 4.965 -1.106 -23.548) 24.091 16.389 ( -7.340 3.280 4.132) 9.039 18.541 ( 2.244 -13.685 5.352) 14.865 18.787 ( -0.917 8.771 -0.358) 8.826 20.082 ( 1.221 -21.669 8.191) 23.198 20.495 ( -5.890 16.763 6.871) 19.050 23.303 ( 3.530 1.324 9.549) 10.266 23.685 ( -2.580 0.337 2.110) 3.350 23.857 ( 0.603 -0.206 4.953) 4.994 24.104 ( -4.847 0.779 3.230) 5.876 25.440 ( 2.547 -21.416 -6.057) 22.402 25.606 ( 0.490 -7.513 -1.974) 7.783 26.154 ( -0.227 9.933 1.655) 10.073 26.228 ( 0.762 18.277 -3.459) 18.617 ======================= Grid point 93 (31/144) ======================= q-point: ( 0.33 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 11.993 2.070 10.309) 15.950 1.462 ( 6.200 -0.358 8.020) 10.143 1.838 ( -2.500 2.016 10.384) 10.869 1.911 ( 0.872 0.731 6.483) 6.582 2.370 ( 1.556 -4.218 -2.015) 4.927 2.438 ( -0.561 1.245 -4.483) 4.686 2.864 ( 11.658 -2.707 5.307) 13.092 3.130 ( -0.239 -1.484 -6.005) 6.190 3.852 ( 14.091 0.982 8.497) 16.483 4.137 ( -4.884 -4.483 10.970) 12.818 4.893 ( 3.493 9.409 11.191) 15.032 5.139 ( -7.278 12.343 15.012) 20.753 5.623 ( 8.508 -3.551 -6.638) 11.360 6.021 ( 0.324 5.359 -5.103) 7.407 7.317 ( -9.343 -7.198 1.247) 11.860 7.496 ( -17.701 4.397 0.499) 18.246 8.802 ( 8.880 -7.674 -4.086) 12.427 9.159 ( 5.361 8.262 2.665) 10.204 9.875 ( -0.386 -9.646 -10.566) 14.312 9.957 ( -3.849 -5.440 -10.868) 12.748 10.667 ( 1.925 -8.193 -6.016) 10.345 10.867 ( -1.359 10.445 -8.079) 13.274 11.524 ( 8.293 -10.991 -5.549) 14.844 11.790 ( 8.544 4.338 -8.899) 13.077 12.178 ( -1.260 -10.211 -2.995) 10.715 12.379 ( -9.512 7.996 -4.654) 13.269 13.965 ( -0.012 3.977 -1.289) 4.180 14.087 ( -0.574 10.471 2.881) 10.875 15.745 ( 9.569 -0.211 -14.542) 17.410 16.199 ( -11.393 2.463 0.751) 11.680 18.598 ( 3.463 -9.559 7.886) 12.867 18.750 ( -2.941 2.366 4.428) 5.818 20.127 ( 3.501 -12.151 5.618) 13.837 20.358 ( -7.276 10.103 5.466) 13.597 23.393 ( 5.285 0.718 7.571) 9.261 23.614 ( -4.471 1.138 3.597) 5.850 23.878 ( 1.584 -0.231 5.142) 5.386 24.003 ( -4.786 0.828 4.730) 6.780 25.496 ( 2.699 -17.486 -6.271) 18.771 25.609 ( -0.267 -9.215 -4.805) 10.396 26.163 ( 1.051 11.274 1.546) 11.428 26.229 ( -0.642 14.665 -1.094) 14.719 ======================= Grid point 94 (32/144) ======================= q-point: (-0.50 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 -0.458 9.120) 9.131 1.452 ( 0.000 1.422 11.157) 11.247 1.858 ( 0.000 1.451 8.229) 8.356 1.879 ( -0.000 2.533 5.699) 6.236 2.382 ( 0.000 -4.142 -4.152) 5.865 2.433 ( 0.000 0.539 -5.024) 5.053 3.022 ( 0.000 -6.592 -4.993) 8.270 3.101 ( 0.000 2.346 -0.954) 2.532 4.042 ( 0.000 -2.174 8.614) 8.884 4.043 ( -0.000 -3.325 10.646) 11.153 4.947 ( 0.000 7.863 10.642) 13.232 5.039 ( 0.000 14.305 16.104) 21.540 5.736 ( 0.000 -13.656 -8.080) 15.867 6.030 ( 0.000 13.653 -2.250) 13.837 7.239 ( -0.000 -1.763 1.869) 2.570 7.261 ( 0.000 1.156 5.055) 5.186 8.927 ( 0.000 -11.831 -6.819) 13.656 9.186 ( 0.000 12.863 0.646) 12.879 9.869 ( 0.000 -10.469 -8.860) 13.715 9.920 ( -0.000 -6.841 -9.313) 11.555 10.693 ( 0.000 -4.618 -7.346) 8.677 10.843 ( 0.000 8.978 -11.007) 14.205 11.623 ( 0.000 -17.330 -10.595) 20.312 11.923 ( 0.000 11.759 -7.050) 13.710 12.181 ( -0.000 -3.939 0.582) 3.982 12.207 ( 0.000 -0.613 -0.986) 1.161 13.976 ( 0.000 2.937 -4.706) 5.547 14.074 ( 0.000 11.821 0.947) 11.859 15.954 ( 0.000 0.315 -5.592) 5.601 15.971 ( 0.000 1.971 -5.469) 5.814 18.664 ( -0.000 -5.149 6.822) 8.547 18.688 ( 0.000 -3.106 9.140) 9.653 20.207 ( 0.000 -1.835 2.459) 3.068 20.239 ( -0.000 1.107 6.280) 6.377 23.480 ( 0.000 -1.727 5.235) 5.513 23.535 ( 0.000 3.645 5.811) 6.860 23.916 ( 0.000 -0.543 5.146) 5.174 23.933 ( -0.000 1.175 5.142) 5.274 25.528 ( 0.000 -15.374 -5.709) 16.400 25.602 ( 0.000 -10.476 -6.610) 12.387 26.182 ( -0.000 12.050 1.046) 12.096 26.214 ( 0.000 13.007 0.502) 13.017 ======================= Grid point 98 (33/144) ======================= q-point: ( 0.00 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.000 11.774 9.135) 14.902 1.196 ( 0.000 0.992 1.313) 1.646 1.996 ( 0.000 -2.942 7.995) 8.519 2.105 ( 0.000 -7.707 -3.846) 8.614 2.114 ( 0.000 2.759 6.208) 6.793 2.642 ( 0.000 -2.358 -0.506) 2.412 2.813 ( 0.000 7.741 17.666) 19.287 3.065 ( 0.000 -0.829 -2.706) 2.830 3.693 ( 0.000 -2.021 19.553) 19.657 4.271 ( 0.000 -16.209 1.981) 16.329 5.055 ( 0.000 17.827 2.221) 17.964 5.468 ( 0.000 13.726 -3.385) 14.137 5.819 ( 0.000 19.234 25.093) 31.617 6.048 ( 0.000 0.416 6.454) 6.468 7.218 ( 0.000 -4.907 -12.333) 13.273 7.954 ( 0.000 -8.265 -4.797) 9.556 8.733 ( 0.000 -0.517 3.860) 3.894 8.884 ( 0.000 7.031 -1.812) 7.261 9.601 ( 0.000 -13.579 -18.146) 22.664 9.696 ( 0.000 -10.435 -12.186) 16.043 10.477 ( 0.000 -13.064 -2.020) 13.219 10.961 ( 0.000 2.929 4.486) 5.357 11.321 ( 0.000 10.211 -20.155) 22.594 11.371 ( 0.000 -4.073 5.324) 6.703 11.851 ( 0.000 -11.068 -7.568) 13.408 12.578 ( 0.000 7.144 -3.235) 7.842 14.215 ( 0.000 10.256 2.913) 10.662 14.317 ( 0.000 6.438 12.726) 14.262 15.119 ( 0.000 0.571 -19.982) 19.990 16.591 ( 0.000 3.503 4.796) 5.939 18.323 ( 0.000 -12.040 -7.257) 14.058 18.933 ( 0.000 6.666 4.831) 8.232 19.947 ( 0.000 -15.855 -0.817) 15.876 20.830 ( 0.000 7.616 9.096) 11.863 23.443 ( 0.000 1.640 7.249) 7.432 23.738 ( 0.000 -0.110 1.313) 1.318 23.951 ( 0.000 0.061 5.738) 5.738 24.209 ( 0.000 1.293 2.535) 2.845 25.117 ( 0.000 -14.694 -6.555) 16.090 25.515 ( 0.000 -6.310 -1.398) 6.463 26.283 ( 0.000 6.673 3.032) 7.330 26.305 ( 0.000 13.433 -3.369) 13.849 ======================= Grid point 99 (34/144) ======================= q-point: ( 0.17 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.711 1.613 6.331) 9.366 1.369 ( 10.601 6.221 2.856) 12.620 1.967 ( -2.119 -3.363 3.305) 5.170 2.061 ( -3.095 0.412 2.449) 3.968 2.190 ( 5.502 -3.806 1.246) 6.805 2.550 ( -6.420 0.266 0.747) 6.468 2.847 ( 0.599 -3.264 9.571) 10.130 3.092 ( 2.906 4.720 2.198) 5.963 3.804 ( 9.891 -2.521 15.434) 18.504 4.240 ( -2.744 -16.352 3.053) 16.860 5.106 ( 4.613 17.295 3.086) 18.164 5.471 ( -0.096 14.304 -2.947) 14.605 5.779 ( -4.142 15.601 22.996) 28.096 6.044 ( 1.510 4.266 8.145) 9.317 7.260 ( 2.484 -6.015 -7.860) 10.205 7.811 ( -12.453 0.096 -3.998) 13.080 8.630 ( -3.715 -8.749 0.812) 9.540 9.081 ( 11.025 5.585 -0.811) 12.386 9.535 ( -3.248 -14.264 -18.110) 23.280 9.742 ( 1.801 -6.181 -10.836) 12.604 10.474 ( 0.307 -11.661 -2.539) 11.938 10.913 ( -5.100 9.295 -4.786) 11.632 11.238 ( 0.195 -7.186 -4.524) 8.494 11.547 ( 9.551 4.077 -2.416) 10.662 11.908 ( 5.191 -9.253 -8.325) 13.486 12.519 ( -5.877 6.242 -3.471) 9.249 14.115 ( -7.619 5.605 3.508) 10.089 14.310 ( -1.413 10.104 6.656) 12.182 15.261 ( 12.958 1.740 -13.940) 19.112 16.493 ( -9.486 3.495 3.456) 10.684 18.395 ( 6.632 -11.444 -5.277) 14.241 18.913 ( -2.019 5.025 4.571) 7.087 19.975 ( 2.914 -14.065 -0.575) 14.375 20.743 ( -8.381 6.857 8.389) 13.698 23.467 ( 2.207 1.279 6.812) 7.274 23.727 ( -1.094 0.517 1.874) 2.231 23.955 ( 0.467 -0.106 5.688) 5.708 24.173 ( -3.372 1.449 3.179) 4.855 25.153 ( 3.453 -13.893 -6.612) 15.769 25.495 ( -1.950 -6.754 -2.313) 7.401 26.280 ( 0.214 8.566 1.936) 8.785 26.323 ( 1.131 11.135 -1.592) 11.305 ======================= Grid point 100 (35/144) ======================= q-point: ( 0.33 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.678 -1.616 5.237) 12.003 1.557 ( 7.383 3.287 2.070) 8.342 1.917 ( -2.944 -2.571 -0.040) 3.909 1.999 ( -2.998 1.738 0.753) 3.547 2.300 ( 4.920 -2.407 1.256) 5.619 2.440 ( -4.287 -0.335 1.151) 4.452 2.848 ( 0.635 -8.409 0.278) 8.438 3.135 ( 0.541 6.729 3.111) 7.433 4.007 ( 8.694 -6.945 9.397) 14.564 4.184 ( -2.378 -15.417 5.977) 16.705 5.214 ( 5.933 17.964 6.004) 19.848 5.450 ( -1.938 13.273 -2.260) 13.603 5.673 ( -5.659 8.044 18.613) 21.052 6.153 ( 8.362 11.721 11.125) 18.195 7.257 ( -1.915 -6.451 1.069) 6.814 7.552 ( -12.893 6.920 -0.898) 14.660 8.611 ( 1.431 -13.004 -4.977) 13.997 9.235 ( 4.706 0.916 -5.099) 6.999 9.520 ( 1.320 -14.355 -15.667) 21.290 9.715 ( -4.560 -4.473 -7.465) 9.825 10.525 ( 5.341 -2.677 -3.865) 7.116 10.815 ( -4.719 10.581 -9.413) 14.928 11.261 ( 0.854 -15.672 -3.551) 16.092 11.753 ( 11.329 5.184 -3.477) 12.935 12.011 ( 4.639 -6.350 -5.957) 9.866 12.354 ( -10.551 3.249 -3.674) 11.635 13.981 ( -5.182 2.262 -0.232) 5.659 14.273 ( -1.758 12.561 4.192) 13.358 15.569 ( 17.328 2.984 -6.748) 18.834 16.244 ( -15.124 3.539 0.670) 15.547 18.551 ( 8.375 -9.442 -1.196) 12.678 18.852 ( -4.204 0.594 4.171) 5.952 20.068 ( 6.541 -9.176 -0.058) 11.269 20.532 ( -11.950 4.327 6.348) 14.206 23.520 ( 2.788 0.059 5.562) 6.222 23.697 ( -1.771 2.150 3.441) 4.427 23.974 ( 1.529 -0.076 5.446) 5.657 24.096 ( -3.978 1.520 4.243) 6.012 25.237 ( 4.636 -12.157 -6.191) 14.409 25.441 ( -3.371 -7.841 -4.372) 9.590 26.295 ( 1.080 9.090 1.817) 9.332 26.337 ( 0.182 9.848 -0.182) 9.851 ======================= Grid point 101 (36/144) ======================= q-point: (-0.50 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 -2.729 3.823) 4.697 1.622 ( 0.000 2.124 4.079) 4.599 1.885 ( -0.000 -2.277 -2.693) 3.526 1.957 ( 0.000 2.720 -0.251) 2.731 2.358 ( 0.000 -1.446 3.513) 3.799 2.391 ( -0.000 -0.826 0.527) 0.980 2.867 ( 0.000 -7.826 -2.637) 8.258 3.129 ( 0.000 5.571 -0.398) 5.586 4.092 ( 0.000 -15.147 3.906) 15.642 4.164 ( 0.000 -9.214 10.886) 14.262 5.295 ( 0.000 23.044 11.884) 25.928 5.418 ( 0.000 10.001 -6.584) 11.973 5.604 ( 0.000 2.403 17.674) 17.837 6.262 ( 0.000 13.907 11.465) 18.024 7.264 ( 0.000 -2.310 4.372) 4.945 7.364 ( 0.000 5.158 2.516) 5.739 8.642 ( 0.000 -14.157 -9.346) 16.964 9.273 ( 0.000 4.286 -6.858) 8.088 9.572 ( 0.000 -18.606 -15.747) 24.375 9.620 ( -0.000 -6.137 -5.225) 8.060 10.630 ( 0.000 4.724 -0.236) 4.730 10.729 ( 0.000 10.520 -11.803) 15.811 11.270 ( 0.000 -20.415 -5.863) 21.240 11.902 ( 0.000 8.367 -6.306) 10.477 12.133 ( 0.000 -3.430 -1.422) 3.713 12.138 ( -0.000 -2.164 -4.482) 4.977 13.928 ( 0.000 1.227 -2.297) 2.604 14.254 ( 0.000 13.420 4.024) 14.011 15.895 ( 0.000 2.146 -2.892) 3.602 15.940 ( 0.000 4.753 -2.053) 5.177 18.671 ( 0.000 -6.810 1.032) 6.887 18.776 ( 0.000 -3.418 3.962) 5.232 20.185 ( 0.000 -5.119 -0.016) 5.119 20.357 ( -0.000 1.600 5.240) 5.479 23.554 ( 0.000 -1.472 4.328) 4.572 23.673 ( 0.000 3.836 4.850) 6.184 24.006 ( 0.000 0.010 5.119) 5.119 24.038 ( -0.000 1.528 4.855) 5.090 25.304 ( -0.000 -10.993 -4.797) 11.994 25.388 ( 0.000 -8.703 -6.468) 10.843 26.310 ( -0.000 9.376 1.451) 9.488 26.334 ( 0.000 9.199 0.795) 9.234 ======================= Grid point 105 (37/144) ======================= q-point: ( 0.00 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 0.862 -0.486) 0.989 1.452 ( 0.000 8.494 8.207) 11.811 1.985 ( 0.000 -3.528 -3.303) 4.833 2.004 ( 0.000 -3.086 -1.471) 3.418 2.284 ( 0.000 2.934 7.157) 7.735 2.555 ( 0.000 -2.983 -4.705) 5.571 3.039 ( 0.000 -1.381 1.021) 1.717 3.146 ( 0.000 -0.463 14.440) 14.447 3.953 ( 0.000 -5.208 12.863) 13.877 4.106 ( 0.000 -18.408 0.649) 18.419 5.170 ( 0.000 10.717 -3.492) 11.271 5.614 ( 0.000 11.847 4.025) 12.512 6.329 ( 0.000 11.289 16.096) 19.660 6.385 ( 0.000 13.371 11.104) 17.381 7.116 ( 0.000 10.220 5.947) 11.824 7.800 ( 0.000 -3.882 -6.182) 7.300 8.702 ( 0.000 -10.170 -7.619) 12.708 8.743 ( 0.000 -7.367 -13.856) 15.693 9.126 ( 0.000 -10.355 -15.148) 18.348 9.492 ( 0.000 0.142 -2.734) 2.738 10.298 ( 0.000 -12.195 -3.210) 12.610 11.055 ( 0.000 0.856 3.465) 3.569 11.178 ( 0.000 9.326 -6.721) 11.496 11.418 ( 0.000 -4.664 3.637) 5.914 11.642 ( 0.000 -5.695 -5.026) 7.595 12.602 ( 0.000 4.048 -0.121) 4.050 14.368 ( 0.000 7.948 4.006) 8.901 14.594 ( 0.000 3.917 11.496) 12.145 14.861 ( 0.000 3.067 -10.778) 11.206 16.699 ( 0.000 1.985 4.161) 4.610 18.067 ( 0.000 -5.432 -11.008) 12.276 19.064 ( 0.000 1.790 5.005) 5.315 19.736 ( 0.000 -5.659 -10.411) 11.849 21.038 ( 0.000 -1.644 10.671) 10.797 23.550 ( 0.000 0.818 3.342) 3.441 23.753 ( 0.000 -0.132 0.475) 0.493 24.034 ( 0.000 -0.248 2.951) 2.962 24.265 ( 0.000 1.376 1.854) 2.309 24.889 ( 0.000 -6.143 -7.195) 9.461 25.427 ( 0.000 -3.402 -3.101) 4.603 26.381 ( 0.000 6.591 1.148) 6.690 26.396 ( 0.000 3.105 4.230) 5.248 ======================= Grid point 106 (38/144) ======================= q-point: ( 0.17 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 5.160 -0.392 0.094) 5.176 1.522 ( 5.694 6.711 5.321) 10.284 1.933 ( -2.805 -2.484 -1.547) 4.054 2.020 ( -0.519 -1.932 -3.329) 3.884 2.272 ( -0.699 -0.126 4.716) 4.769 2.505 ( -3.862 -2.142 -2.854) 5.258 2.903 ( -6.996 -3.808 3.470) 8.688 3.291 ( 6.259 5.642 10.159) 13.199 3.958 ( 0.247 -10.802 6.978) 12.862 4.102 ( 0.529 -17.688 3.701) 18.078 5.201 ( 2.418 6.890 -3.333) 8.027 5.671 ( 4.811 16.011 5.909) 17.731 6.219 ( -5.786 14.379 12.432) 19.870 6.461 ( 3.987 13.531 16.408) 21.638 7.184 ( 5.470 5.316 5.334) 9.308 7.747 ( -5.534 4.189 -5.040) 8.577 8.470 ( -8.320 -14.499 -8.487) 18.747 8.954 ( 4.853 -17.933 -13.952) 23.234 9.022 ( -5.978 -7.997 -15.298) 18.268 9.624 ( 10.024 7.441 -2.653) 12.763 10.319 ( 2.590 -10.257 -2.682) 10.914 10.903 ( -10.851 6.489 -2.843) 12.959 11.176 ( 1.437 -3.569 1.497) 4.129 11.565 ( 7.637 -0.951 1.101) 7.774 11.707 ( 7.729 -3.557 -5.400) 10.078 12.531 ( -7.136 3.487 -0.443) 7.955 14.230 ( -12.069 3.223 4.495) 13.276 14.489 ( -3.260 5.992 4.204) 8.013 15.145 ( 19.830 5.152 -3.532) 20.790 16.577 ( -11.509 2.467 2.639) 12.063 18.174 ( 9.904 -5.049 -9.526) 14.640 19.013 ( -4.945 1.026 2.815) 5.781 19.798 ( 6.185 -5.549 -7.536) 11.218 20.933 ( -10.224 -1.717 9.839) 14.293 23.562 ( 1.138 0.341 3.063) 3.285 23.757 ( 0.378 0.497 0.853) 1.057 24.036 ( 0.395 -0.174 2.975) 3.007 24.237 ( -2.642 1.523 2.016) 3.656 24.932 ( 4.120 -6.031 -6.968) 10.094 25.392 ( -3.418 -3.592 -3.569) 6.109 26.388 ( 0.793 5.707 2.442) 6.258 26.409 ( 1.056 3.841 3.176) 5.095 ======================= Grid point 107 (39/144) ======================= q-point: ( 0.33 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 9.042 -2.265 -1.117) 9.388 1.609 ( 1.973 2.386 -0.106) 3.098 1.891 ( -1.951 -0.713 0.612) 2.166 1.980 ( -2.897 0.718 -3.005) 4.235 2.298 ( 3.932 -4.043 -0.316) 5.649 2.440 ( -2.441 -1.406 0.277) 2.831 2.817 ( -1.366 -2.104 2.584) 3.601 3.293 ( -5.642 9.377 4.541) 11.849 3.949 ( -0.936 -18.388 0.655) 18.423 4.164 ( 5.040 -16.183 8.360) 18.900 5.244 ( 1.792 -1.464 -3.772) 4.426 5.749 ( 2.347 21.743 10.528) 24.271 6.139 ( -2.706 21.283 13.184) 25.181 6.556 ( 5.590 11.554 15.174) 19.875 7.276 ( 4.024 0.057 6.676) 7.795 7.609 ( -7.945 12.167 -1.904) 14.656 8.380 ( -2.384 -15.201 -6.406) 16.667 8.889 ( -1.922 -19.299 -17.612) 26.198 9.037 ( 0.891 -18.155 -18.417) 25.877 9.722 ( -2.030 13.313 -0.649) 13.482 10.450 ( 11.483 -2.005 -2.530) 11.928 10.773 ( -2.603 5.759 -3.052) 7.018 11.137 ( -5.620 -9.098 1.676) 10.824 11.732 ( 10.138 0.613 -2.200) 10.392 11.877 ( 7.830 -1.996 -3.249) 8.709 12.331 ( -12.639 1.309 -1.025) 12.748 14.018 ( -8.032 -0.666 3.911) 8.958 14.454 ( -0.910 7.896 4.304) 9.039 15.542 ( 19.881 5.752 -2.092) 20.802 16.288 ( -16.840 3.872 0.261) 17.282 18.407 ( 12.483 -4.178 -6.771) 14.803 18.883 ( -7.956 -0.428 -1.104) 8.044 19.970 ( 10.819 -5.751 -1.849) 12.391 20.669 ( -15.279 -1.671 7.255) 16.997 23.586 ( 1.061 -0.778 2.441) 2.773 23.765 ( 0.383 1.936 1.712) 2.612 24.054 ( 1.500 0.150 2.951) 3.314 24.173 ( -3.470 1.552 2.350) 4.469 25.037 ( 6.130 -5.658 -6.279) 10.441 25.301 ( -5.514 -4.065 -4.710) 8.313 26.408 ( 1.093 4.959 3.313) 6.063 26.428 ( 0.632 4.304 2.756) 5.150 ======================= Grid point 108 (40/144) ======================= q-point: (-0.50 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.000 -2.257 -1.124) 2.522 1.605 ( 0.000 -0.319 -4.404) 4.415 1.860 ( 0.000 -0.630 1.000) 1.182 1.944 ( 0.000 1.113 -1.562) 1.918 2.366 ( 0.000 -3.688 -2.103) 4.245 2.409 ( -0.000 -1.050 2.618) 2.821 2.826 ( 0.000 -0.570 2.496) 2.560 3.192 ( 0.000 8.694 -0.504) 8.709 3.938 ( 0.000 -19.667 0.437) 19.672 4.227 ( 0.000 -15.603 9.133) 18.080 5.264 ( 0.000 -6.477 -4.339) 7.796 5.770 ( 0.000 24.167 12.736) 27.318 6.108 ( 0.000 24.088 14.745) 28.243 6.624 ( 0.000 9.740 12.044) 15.490 7.372 ( -0.000 0.909 8.613) 8.661 7.463 ( 0.000 11.951 1.041) 11.996 8.357 ( 0.000 -12.691 -6.940) 14.465 8.886 ( 0.000 -18.906 -22.334) 29.261 9.049 ( 0.000 -23.674 -16.963) 29.124 9.661 ( 0.000 13.341 0.107) 13.342 10.663 ( 0.000 9.173 -5.809) 10.858 10.712 ( -0.000 6.650 1.183) 6.754 11.045 ( 0.000 -17.769 1.352) 17.820 11.865 ( 0.000 5.902 -5.494) 8.063 12.042 ( 0.000 -3.147 -2.129) 3.799 12.088 ( -0.000 -2.612 0.209) 2.620 13.937 ( 0.000 -1.772 3.838) 4.228 14.446 ( 0.000 8.411 4.688) 9.630 15.880 ( 0.000 3.137 -1.909) 3.672 15.978 ( 0.000 7.166 -0.763) 7.207 18.587 ( 0.000 -3.828 -3.907) 5.470 18.751 ( 0.000 -0.999 -4.448) 4.559 20.142 ( 0.000 -7.302 2.832) 7.832 20.447 ( -0.000 -0.275 3.834) 3.843 23.598 ( 0.000 -1.426 2.100) 2.539 23.770 ( 0.000 2.744 2.190) 3.511 24.085 ( 0.000 0.453 2.910) 2.945 24.122 ( -0.000 1.395 2.512) 2.874 25.138 ( -0.000 -5.436 -4.812) 7.260 25.207 ( 0.000 -4.315 -6.387) 7.708 26.422 ( -0.000 4.651 3.451) 5.792 26.432 ( 0.000 4.475 2.833) 5.296 ======================= Grid point 112 (41/144) ======================= q-point: ( 0.00 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 0.771 0.063) 0.774 1.623 ( 0.000 2.649 3.201) 4.154 1.915 ( 0.000 -0.427 -2.494) 2.531 1.927 ( 0.000 -0.867 -3.745) 3.844 2.369 ( 0.000 -2.063 0.203) 2.073 2.491 ( 0.000 0.767 0.894) 1.178 3.052 ( 0.000 -1.842 1.583) 2.428 3.289 ( 0.000 -8.971 6.449) 11.048 3.991 ( 0.000 -14.165 5.715) 15.274 4.039 ( 0.000 -7.796 3.950) 8.740 5.228 ( 0.000 5.509 2.825) 6.191 5.773 ( 0.000 2.051 3.744) 4.269 6.477 ( 0.000 5.658 -1.108) 5.765 6.670 ( 0.000 5.934 5.893) 8.363 7.587 ( 0.000 21.740 13.538) 25.611 7.652 ( 0.000 -1.411 -6.641) 6.789 8.202 ( 0.000 -19.498 -18.546) 26.909 8.430 ( 0.000 0.804 -10.746) 10.776 8.981 ( 0.000 0.782 -2.189) 2.325 9.548 ( 0.000 2.929 5.181) 5.951 10.138 ( 0.000 -6.224 -4.105) 7.455 11.077 ( 0.000 -0.180 -2.240) 2.247 11.254 ( 0.000 4.956 6.857) 8.461 11.370 ( 0.000 -3.856 -1.790) 4.252 11.621 ( 0.000 -3.418 5.956) 6.867 12.652 ( 0.000 2.355 2.185) 3.213 14.507 ( 0.000 1.768 5.777) 6.042 14.766 ( 0.000 -3.653 6.733) 7.660 14.795 ( 0.000 6.323 -1.664) 6.538 16.776 ( 0.000 -0.820 3.749) 3.838 17.852 ( 0.000 4.020 -11.461) 12.145 19.143 ( 0.000 -1.782 3.749) 4.152 19.487 ( 0.000 4.900 -16.439) 17.154 21.167 ( 0.000 -7.907 8.691) 11.750 23.581 ( 0.000 -0.591 0.094) 0.599 23.750 ( 0.000 -0.018 -0.687) 0.687 24.036 ( 0.000 -0.795 -2.110) 2.255 24.291 ( 0.000 0.454 -0.109) 0.467 24.748 ( 0.000 1.064 -5.682) 5.781 25.339 ( 0.000 0.332 -4.833) 4.845 26.484 ( 0.000 1.699 6.000) 6.236 26.493 ( 0.000 -1.225 5.421) 5.557 ======================= Grid point 113 (42/144) ======================= q-point: ( 0.17 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 3.935 0.104 -0.204) 3.942 1.635 ( 0.433 2.176 1.391) 2.619 1.906 ( 1.192 0.752 -1.186) 1.843 1.930 ( -0.735 -0.409 -4.056) 4.142 2.295 ( -6.235 -3.118 0.024) 6.971 2.472 ( -1.721 0.121 0.832) 1.916 2.910 ( -7.074 -2.882 0.290) 7.644 3.482 ( 10.317 -0.970 7.313) 12.684 3.889 ( -8.370 -11.714 2.450) 14.604 4.038 ( 0.148 -14.865 4.658) 15.578 5.228 ( -0.333 2.249 2.734) 3.556 5.898 ( 10.597 5.815 4.946) 13.060 6.452 ( -0.949 7.110 1.283) 7.287 6.703 ( 2.157 5.031 2.532) 6.032 7.517 ( -3.502 8.646 6.626) 11.442 7.779 ( 8.182 13.976 0.948) 16.223 8.074 ( -9.573 -12.080 -11.921) 19.485 8.406 ( -1.449 -11.768 -16.406) 20.242 8.896 ( -8.822 -3.037 -0.585) 9.348 9.719 ( 13.467 10.664 1.803) 17.272 10.174 ( 4.378 -7.863 -3.361) 9.607 10.959 ( -10.867 3.740 1.497) 11.589 11.167 ( -1.107 -3.154 2.106) 3.951 11.533 ( 8.311 -2.311 -0.200) 8.629 11.705 ( 7.916 -0.832 5.191) 9.503 12.573 ( -7.973 1.895 2.154) 8.473 14.343 ( -13.839 -1.544 7.290) 15.718 14.594 ( -2.113 1.194 4.304) 4.941 15.175 ( 20.681 4.235 -0.149) 21.111 16.638 ( -12.687 0.660 2.520) 12.952 17.979 ( 11.480 3.379 -10.802) 16.121 19.022 ( -9.753 0.704 -2.920) 10.205 19.627 ( 11.781 1.340 -8.631) 14.666 21.050 ( -11.476 -7.467 7.980) 15.848 23.587 ( 0.488 -0.839 0.049) 0.972 23.764 ( 1.273 0.253 -0.535) 1.404 24.042 ( 0.616 -0.655 -2.058) 2.246 24.264 ( -2.626 0.586 -0.373) 2.717 24.794 ( 4.425 0.829 -5.478) 7.091 25.300 ( -3.892 0.369 -4.838) 6.220 26.496 ( 0.993 1.126 5.974) 6.160 26.502 ( 0.863 -0.761 5.363) 5.485 ======================= Grid point 114 (43/144) ======================= q-point: ( 0.33 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 7.406 -0.451 -1.352) 7.542 1.613 ( -2.622 1.300 -0.683) 3.005 1.888 ( -2.487 0.401 -3.066) 3.968 1.965 ( 1.308 1.703 1.624) 2.692 2.220 ( 1.448 -3.030 -2.804) 4.375 2.436 ( -1.588 -0.989 0.347) 1.903 2.839 ( -0.243 -0.434 -0.491) 0.699 3.464 ( -12.108 10.076 3.570) 16.152 3.794 ( -0.262 -17.526 3.329) 17.841 4.092 ( 5.207 -18.250 2.923) 19.202 5.211 ( -1.091 -2.775 3.277) 4.431 6.086 ( 6.720 10.251 7.487) 14.363 6.472 ( 2.356 11.727 3.448) 12.449 6.727 ( 0.172 2.584 -3.402) 4.276 7.479 ( 0.842 2.964 5.078) 5.940 7.829 ( -6.345 19.817 8.654) 22.536 8.019 ( 6.956 -11.357 -14.448) 19.650 8.388 ( -1.612 -12.268 -15.220) 19.615 8.695 ( -8.601 -11.089 -1.072) 14.075 9.850 ( -1.999 14.883 -1.621) 15.104 10.387 ( 17.160 -5.315 -0.614) 17.975 10.819 ( -2.857 3.436 2.009) 4.899 11.086 ( -7.701 -4.056 -0.034) 8.704 11.722 ( 10.579 -1.495 2.635) 11.004 11.859 ( 7.224 0.150 1.504) 7.380 12.352 ( -13.781 -0.094 2.835) 14.069 14.115 ( -8.228 -4.434 9.840) 13.572 14.578 ( -0.227 1.593 4.407) 4.692 15.573 ( 19.488 5.345 -1.394) 20.256 16.331 ( -17.349 3.333 0.561) 17.675 18.246 ( 14.446 2.701 -9.970) 17.759 18.807 ( -11.681 2.381 -7.940) 14.323 19.904 ( 15.774 -3.079 -0.639) 16.084 20.748 ( -17.846 -5.894 5.542) 19.595 23.597 ( 0.423 -1.312 -0.004) 1.378 23.792 ( 1.302 0.800 -0.274) 1.553 24.065 ( 1.824 -0.315 -1.887) 2.643 24.199 ( -3.614 0.622 -0.839) 3.762 24.908 ( 6.720 0.464 -5.173) 8.493 25.196 ( -6.265 0.475 -4.886) 7.959 26.516 ( 0.920 0.014 5.733) 5.806 26.521 ( 0.811 0.142 5.449) 5.511 ======================= Grid point 115 (44/144) ======================= q-point: (-0.50 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.000 -0.263 -2.652) 2.665 1.555 ( 0.000 1.322 -0.915) 1.608 1.857 ( -0.000 -0.008 -1.288) 1.288 1.954 ( 0.000 0.394 1.981) 2.019 2.281 ( 0.000 -0.957 -3.241) 3.379 2.418 ( -0.000 -1.450 -0.263) 1.473 2.865 ( 0.000 1.027 -0.718) 1.253 3.276 ( 0.000 9.045 -0.085) 9.046 3.795 ( 0.000 -15.978 4.850) 16.698 4.161 ( 0.000 -17.911 2.053) 18.028 5.198 ( 0.000 -5.078 3.704) 6.285 6.150 ( 0.000 11.063 8.685) 14.065 6.500 ( 0.000 15.359 5.612) 16.352 6.723 ( 0.000 1.125 -8.027) 8.106 7.536 ( 0.000 -1.328 3.968) 4.185 7.707 ( -0.000 13.083 7.241) 14.953 8.154 ( -0.000 -0.608 -5.323) 5.358 8.310 ( 0.000 -7.114 -19.185) 20.461 8.631 ( 0.000 -19.208 -1.715) 19.284 9.794 ( 0.000 12.867 -0.422) 12.874 10.682 ( -0.000 2.666 -0.628) 2.739 10.752 ( 0.000 4.721 -3.743) 6.025 10.956 ( -0.000 -9.872 5.141) 11.130 11.843 ( -0.000 6.195 -3.224) 6.984 12.036 ( 0.000 -3.796 5.709) 6.855 12.092 ( -0.000 -3.369 3.369) 4.764 14.033 ( 0.000 -5.380 10.868) 12.127 14.577 ( 0.000 1.645 4.384) 4.682 15.888 ( 0.000 3.548 -0.897) 3.660 16.034 ( -0.000 6.583 -1.121) 6.678 18.472 ( 0.000 1.499 -7.333) 7.485 18.612 ( 0.000 3.896 -11.963) 12.582 20.150 ( 0.000 -7.603 6.102) 9.749 20.477 ( -0.000 -2.449 0.715) 2.552 23.601 ( 0.000 -1.537 -0.013) 1.537 23.806 ( 0.000 1.073 -0.174) 1.087 24.100 ( -0.000 -0.083 -1.697) 1.699 24.145 ( 0.000 0.523 -1.130) 1.245 25.023 ( -0.000 -0.119 -4.931) 4.933 25.086 ( 0.000 0.974 -5.038) 5.131 26.527 ( 0.000 -0.017 5.729) 5.729 26.528 ( -0.000 0.072 5.378) 5.379 ======================= Grid point 119 (45/144) ======================= q-point: ( 0.00 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 -0.121 0.772) 0.782 1.599 ( 0.000 -5.373 -2.614) 5.975 1.871 ( 0.000 2.322 -4.988) 5.502 1.881 ( 0.000 2.584 -2.564) 3.640 2.283 ( 0.000 -5.414 -4.415) 6.986 2.563 ( 0.000 1.401 4.097) 4.330 3.062 ( 0.000 -1.436 2.106) 2.549 3.215 ( 0.000 -14.936 -0.412) 14.942 3.942 ( 0.000 -12.681 -3.143) 13.064 4.038 ( 0.000 -7.784 10.706) 13.237 5.402 ( 0.000 4.018 10.796) 11.520 5.750 ( 0.000 -7.153 -2.464) 7.565 6.501 ( 0.000 -17.647 -15.294) 23.352 6.602 ( 0.000 6.617 5.402) 8.542 7.319 ( 0.000 -24.099 -19.713) 31.135 7.573 ( 0.000 6.309 -6.160) 8.818 8.340 ( 0.000 24.838 9.349) 26.540 8.502 ( 0.000 23.130 3.882) 23.453 8.980 ( 0.000 6.199 -0.276) 6.206 9.676 ( 0.000 -6.286 9.136) 11.090 10.066 ( 0.000 5.196 -1.720) 5.473 10.975 ( 0.000 2.749 -9.201) 9.602 11.350 ( 0.000 -5.432 4.236) 6.888 11.497 ( 0.000 1.726 15.824) 15.917 11.707 ( 0.000 -2.526 5.825) 6.349 12.732 ( 0.000 0.579 5.483) 5.513 14.584 ( 0.000 -5.493 4.485) 7.091 14.744 ( 0.000 -13.046 0.115) 13.046 14.940 ( 0.000 9.270 9.339) 13.159 16.813 ( 0.000 -4.883 3.498) 6.007 17.755 ( 0.000 14.252 -9.403) 17.075 19.163 ( 0.000 -4.320 1.940) 4.736 19.260 ( 0.000 14.730 -19.745) 24.634 21.182 ( 0.000 -10.283 2.975) 10.705 23.538 ( 0.000 -2.584 -3.362) 4.240 23.731 ( 0.000 0.217 -1.437) 1.453 23.957 ( 0.000 -0.820 -5.125) 5.190 24.270 ( 0.000 -0.985 -1.794) 2.046 24.699 ( 0.000 5.549 -3.952) 6.813 25.270 ( 0.000 4.225 -5.277) 6.760 26.559 ( 0.000 -5.530 5.529) 7.820 26.629 ( 0.000 -1.725 10.232) 10.377 ======================= Grid point 120 (46/144) ======================= q-point: ( 0.17 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 2.715 -0.764 0.211) 2.828 1.606 ( 0.616 -2.366 -4.104) 4.777 1.849 ( -0.909 1.150 -3.271) 3.584 1.919 ( 3.105 3.662 -2.543) 5.433 2.233 ( -4.353 -3.909 -3.152) 6.646 2.516 ( -4.127 0.902 2.656) 4.990 2.865 ( -8.275 -4.551 0.170) 9.445 3.486 ( 15.315 -12.588 0.354) 19.827 3.851 ( -9.511 -4.569 0.394) 10.558 4.006 ( -2.439 -10.706 8.237) 13.726 5.351 ( -3.481 1.269 8.301) 9.091 5.916 ( 13.508 -6.874 -1.185) 15.202 6.428 ( -3.333 -11.085 -10.380) 15.548 6.662 ( 1.852 -0.261 -1.716) 2.538 7.258 ( -4.176 -19.485 -17.264) 26.366 7.635 ( 4.010 2.526 -10.228) 11.273 8.338 ( 0.347 17.370 9.322) 19.716 8.416 ( -5.384 26.375 9.520) 28.553 8.910 ( -7.535 5.270 2.081) 9.427 9.839 ( 11.891 0.685 2.110) 12.096 10.087 ( 4.275 1.796 0.041) 4.637 10.940 ( -3.917 5.128 -7.542) 9.926 11.265 ( -7.062 -4.847 12.142) 14.859 11.559 ( 8.514 -1.881 5.007) 10.055 11.811 ( 6.672 -0.263 6.858) 9.572 12.651 ( -7.989 -0.105 5.983) 9.982 14.445 ( -10.707 -8.004 8.472) 15.827 14.671 ( -2.001 -5.061 5.505) 7.741 15.209 ( 18.626 3.555 1.272) 19.005 16.678 ( -12.543 -2.420 2.763) 13.069 17.870 ( 10.440 12.278 -9.876) 18.902 18.934 ( -13.321 5.444 -9.702) 17.356 19.519 ( 16.402 3.869 -6.848) 18.190 21.061 ( -11.874 -9.562 2.635) 15.471 23.546 ( 0.738 -2.394 -2.947) 3.868 23.744 ( 1.226 -0.093 -1.628) 2.040 23.962 ( 0.585 -0.861 -5.370) 5.470 24.235 ( -3.225 -0.893 -2.400) 4.118 24.747 ( 4.529 5.470 -3.695) 8.005 25.234 ( -3.452 4.478 -4.943) 7.510 26.570 ( 1.020 -5.387 5.686) 7.899 26.634 ( 0.354 -2.094 9.728) 9.957 ======================= Grid point 121 (47/144) ======================= q-point: ( 0.33 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 6.677 0.125 -1.253) 6.795 1.604 ( -1.278 2.501 -4.047) 4.926 1.833 ( -0.580 0.466 -1.633) 1.794 2.010 ( 3.623 1.923 0.701) 4.161 2.177 ( 1.560 1.869 -1.811) 3.034 2.431 ( -4.021 -0.591 0.122) 4.066 2.782 ( -0.673 -4.250 -1.895) 4.701 3.570 ( -14.897 -4.745 1.645) 15.720 3.741 ( 7.192 -3.797 3.684) 8.929 3.970 ( -0.603 -11.697 2.368) 11.950 5.293 ( -2.161 -2.341 7.574) 8.217 6.163 ( 9.416 -9.629 0.003) 13.468 6.415 ( 1.681 -6.144 -12.871) 14.361 6.628 ( -4.532 -3.883 -6.172) 8.586 7.228 ( 2.004 -15.997 -14.735) 21.842 7.662 ( -1.608 -0.699 -12.609) 12.731 8.339 ( -0.480 25.376 9.381) 27.059 8.397 ( 2.606 11.796 14.025) 18.510 8.734 ( -7.789 7.741 7.543) 13.322 9.911 ( -2.845 6.534 -5.104) 8.766 10.346 ( 18.382 -1.127 0.944) 18.441 10.850 ( -5.083 5.010 -3.674) 8.027 11.126 ( -6.116 -2.189 9.247) 11.301 11.788 ( 11.458 -1.943 5.562) 12.884 11.913 ( 5.290 0.811 3.565) 6.430 12.435 ( -13.422 -2.397 7.856) 15.736 14.272 ( -6.121 -9.070 14.679) 18.309 14.646 ( -0.761 -4.731 4.898) 6.853 15.589 ( 19.534 3.700 -1.263) 19.922 16.369 ( -17.846 1.024 0.985) 17.903 18.118 ( 13.822 9.823 -11.005) 20.215 18.671 ( -13.400 7.380 -12.060) 19.480 19.872 ( 19.294 -0.832 -1.342) 19.358 20.744 ( -19.267 -7.317 1.250) 20.647 23.561 ( 0.641 -2.065 -2.135) 3.039 23.771 ( 1.184 -0.730 -2.140) 2.552 23.988 ( 2.130 -0.855 -5.544) 6.001 24.157 ( -4.327 -0.809 -3.484) 5.614 24.860 ( 6.501 5.299 -3.578) 9.119 25.142 ( -5.625 5.071 -4.170) 8.646 26.596 ( 1.493 -4.902 6.217) 8.057 26.637 ( -0.222 -3.012 8.525) 9.045 ======================= Grid point 122 (48/144) ======================= q-point: (-0.50 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -0.000 0.940 -2.335) 2.517 1.573 ( 0.000 4.306 -2.626) 5.043 1.830 ( -0.000 0.147 -0.243) 0.284 2.016 ( 0.000 0.782 4.118) 4.192 2.258 ( 0.000 5.051 -1.868) 5.385 2.376 ( -0.000 -2.078 -2.156) 2.995 2.798 ( 0.000 -3.847 -3.830) 5.428 3.365 ( 0.000 3.155 3.120) 4.438 3.808 ( 0.000 -7.394 8.480) 11.251 3.976 ( 0.000 -11.765 -4.942) 12.761 5.271 ( 0.000 -3.975 7.970) 8.906 6.255 ( 0.000 -11.842 1.690) 11.962 6.448 ( 0.000 -1.317 -18.390) 18.437 6.560 ( 0.000 -7.532 -5.584) 9.376 7.279 ( 0.000 -13.045 -13.561) 18.817 7.622 ( 0.000 -4.679 -12.024) 12.902 8.353 ( -0.000 27.144 5.311) 27.658 8.401 ( 0.000 10.500 15.457) 18.686 8.670 ( 0.000 7.490 12.866) 14.887 9.861 ( 0.000 6.068 -3.918) 7.223 10.671 ( -0.000 1.144 -0.492) 1.245 10.679 ( 0.000 3.160 -7.839) 8.452 11.066 ( 0.000 -1.574 12.479) 12.578 11.867 ( 0.000 7.322 -2.084) 7.613 12.138 ( 0.000 -4.763 6.236) 7.847 12.156 ( -0.000 -5.335 11.740) 12.895 14.212 ( 0.000 -9.449 16.994) 19.444 14.639 ( 0.000 -4.887 4.500) 6.644 15.918 ( -0.000 3.258 0.463) 3.291 16.054 ( 0.000 3.124 -2.026) 3.723 18.365 ( 0.000 7.131 -9.248) 11.678 18.431 ( -0.000 9.745 -15.050) 17.930 20.193 ( 0.000 -5.716 5.477) 7.916 20.419 ( -0.000 -3.233 -4.045) 5.178 23.568 ( 0.000 -1.931 -1.746) 2.604 23.783 ( 0.000 -1.035 -2.505) 2.710 24.028 ( -0.000 -0.868 -5.303) 5.374 24.094 ( 0.000 -0.743 -4.138) 4.205 24.963 ( -0.000 4.636 -4.170) 6.235 25.048 ( 0.000 5.955 -3.220) 6.770 26.622 ( 0.000 -3.870 7.086) 8.074 26.624 ( -0.000 -4.253 7.330) 8.475 ======================= Grid point 126 (49/144) ======================= q-point: ( 0.00 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 -2.733 -1.795) 3.270 1.474 ( 0.000 -7.172 -4.750) 8.603 1.728 ( 0.000 -2.632 -11.122) 11.429 1.873 ( 0.000 5.004 -2.605) 5.642 2.140 ( 0.000 -6.930 -3.852) 7.928 2.615 ( 0.000 -1.330 0.613) 1.465 3.023 ( 0.000 -17.559 -2.065) 17.680 3.127 ( 0.000 1.637 5.157) 5.410 3.701 ( 0.000 -17.464 -6.307) 18.568 4.172 ( 0.000 -4.934 10.027) 11.175 5.579 ( 0.000 -10.264 -7.259) 12.572 5.609 ( 0.000 -10.850 7.801) 13.364 6.013 ( 0.000 -11.728 -12.359) 17.037 6.468 ( 0.000 -26.867 -7.337) 27.850 7.146 ( 0.000 9.545 8.858) 13.022 7.523 ( 0.000 12.703 -9.530) 15.881 8.532 ( 0.000 8.606 -5.863) 10.413 8.868 ( 0.000 25.954 5.739) 26.581 9.179 ( 0.000 23.727 4.426) 24.136 9.728 ( 0.000 -12.273 8.791) 15.096 10.198 ( 0.000 13.248 4.382) 13.954 10.845 ( 0.000 6.723 -9.840) 11.918 11.386 ( 0.000 -8.199 6.734) 10.610 11.763 ( 0.000 -1.107 2.581) 2.808 11.827 ( 0.000 0.240 19.465) 19.466 12.871 ( 0.000 -0.673 10.255) 10.277 14.537 ( 0.000 -18.707 -4.670) 19.281 14.558 ( 0.000 -10.195 1.375) 10.287 15.293 ( 0.000 9.725 18.869) 21.228 16.801 ( 0.000 -9.290 3.074) 9.785 17.787 ( 0.000 20.473 -6.825) 21.581 19.071 ( 0.000 21.734 -21.900) 30.854 19.130 ( 0.000 -5.669 0.010) 5.669 21.072 ( 0.000 -9.042 -4.422) 10.066 23.410 ( 0.000 -4.826 -6.744) 8.292 23.706 ( 0.000 0.245 -1.576) 1.595 23.861 ( 0.000 -0.778 -4.393) 4.461 24.220 ( 0.000 -1.817 -1.945) 2.662 24.698 ( 0.000 8.227 -4.212) 9.242 25.241 ( 0.000 7.658 -4.460) 8.862 26.574 ( 0.000 -9.561 4.357) 10.507 26.815 ( 0.000 -4.462 14.032) 14.724 ======================= Grid point 127 (50/144) ======================= q-point: ( 0.17 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 1.329 -3.378 -2.274) 4.284 1.452 ( -0.478 -3.404 -9.738) 10.327 1.785 ( 4.768 -0.734 -6.476) 8.075 1.922 ( 5.004 5.665 -0.707) 7.592 2.109 ( -1.851 -5.723 -4.274) 7.379 2.552 ( -5.250 -0.781 0.691) 5.353 2.856 ( -8.001 -5.389 3.215) 10.168 3.309 ( 8.919 -14.957 -2.406) 17.580 3.769 ( 4.774 -7.571 -2.101) 9.194 4.108 ( -6.029 -4.825 9.352) 12.128 5.466 ( -5.907 -3.800 1.457) 7.174 5.737 ( 6.451 -22.526 -6.819) 24.404 6.040 ( 3.981 -7.872 -8.864) 12.506 6.428 ( -4.074 -26.734 -7.113) 27.963 7.078 ( -5.513 8.179 1.308) 9.951 7.555 ( 1.544 11.202 -6.178) 12.885 8.545 ( 2.246 5.127 0.623) 5.632 8.854 ( -1.475 26.488 7.102) 27.463 9.138 ( -3.253 23.403 5.880) 24.349 9.799 ( 4.337 -7.819 1.285) 9.033 10.224 ( 4.301 10.611 4.919) 12.462 10.863 ( 1.247 8.786 -7.528) 11.637 11.432 ( -1.221 -7.010 12.242) 14.160 11.641 ( 1.519 -2.039 4.954) 5.568 11.953 ( 4.483 1.561 8.968) 10.147 12.792 ( -7.803 -2.180 10.980) 13.645 14.461 ( -3.067 -14.404 5.401) 15.686 14.629 ( 2.522 -13.468 -0.255) 13.704 15.385 ( 9.281 8.259 12.841) 17.867 16.680 ( -11.671 -6.704 2.339) 13.661 17.866 ( 7.434 18.261 -7.768) 21.191 18.802 ( -14.112 10.724 -13.740) 22.426 19.440 ( 18.310 4.435 -6.918) 20.069 20.955 ( -11.477 -8.388 -4.535) 14.921 23.432 ( 2.084 -4.444 -5.981) 7.737 23.710 ( 0.172 -0.491 -1.766) 1.841 23.857 ( -0.023 -0.711 -4.993) 5.043 24.171 ( -4.370 -1.978 -2.890) 5.600 24.756 ( 5.213 8.688 -3.513) 10.724 25.216 ( -2.456 8.132 -4.034) 9.404 26.591 ( 1.635 -9.445 4.705) 10.678 26.801 ( -1.477 -5.128 12.851) 13.915 ======================= Grid point 128 (51/144) ======================= q-point: ( 0.33 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 7.200 -0.111 -3.601) 8.051 1.471 ( 1.370 0.590 -11.076) 11.176 1.862 ( 2.585 1.418 1.214) 3.189 2.045 ( 3.926 -1.503 1.496) 4.462 2.141 ( 7.737 4.710 -3.908) 9.865 2.436 ( -6.364 -0.253 0.877) 6.429 2.747 ( -2.708 -2.740 2.443) 4.561 3.427 ( 2.248 -19.583 -0.412) 19.715 3.808 ( -0.544 7.947 -1.179) 8.052 3.974 ( -6.253 -5.572 6.083) 10.352 5.367 ( -3.685 -4.084 1.070) 5.604 5.833 ( 3.655 -27.043 -13.713) 30.541 6.146 ( 4.225 -9.786 -9.100) 14.015 6.325 ( -5.365 -19.504 -4.864) 20.805 7.023 ( 2.205 2.774 -3.559) 5.022 7.515 ( -6.180 4.829 -6.568) 10.230 8.631 ( 5.406 1.249 9.894) 11.343 8.808 ( -2.989 27.479 7.681) 28.688 9.102 ( 0.468 25.964 10.074) 27.854 9.814 ( -2.467 -1.936 -5.501) 6.332 10.393 ( 11.617 5.661 0.572) 12.936 10.851 ( -4.203 8.783 -2.469) 10.044 11.334 ( -2.936 0.702 13.440) 13.774 11.848 ( 11.202 -3.500 3.802) 12.337 11.995 ( 3.502 1.730 4.060) 5.634 12.576 ( -13.764 -5.512 11.699) 18.887 14.431 ( -0.257 -13.763 14.846) 20.246 14.647 ( -0.209 -12.225 3.992) 12.862 15.644 ( 16.304 5.085 4.054) 17.553 16.379 ( -17.898 -2.329 0.831) 18.068 18.053 ( 11.029 14.869 -9.867) 20.978 18.536 ( -13.038 11.142 -13.217) 21.653 19.824 ( 20.513 1.612 -4.778) 21.124 20.647 ( -18.872 -6.090 -4.660) 20.371 23.479 ( 2.301 -3.427 -3.991) 5.741 23.705 ( -0.626 -2.390 -3.128) 3.986 23.876 ( 2.162 -0.547 -5.564) 5.994 24.071 ( -5.317 -1.951 -4.353) 7.143 24.877 ( 6.490 9.277 -2.753) 11.652 25.148 ( -4.321 9.132 -3.165) 10.587 26.636 ( 2.858 -8.981 5.773) 11.053 26.758 ( -2.725 -6.601 10.232) 12.478 ======================= Grid point 129 (52/144) ======================= q-point: (-0.50 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 0.099 -1.830) 1.833 1.476 ( -0.000 2.655 -11.179) 11.490 1.888 ( -0.000 2.103 3.645) 4.208 2.077 ( 0.000 -3.414 0.861) 3.521 2.296 ( 0.000 8.018 -0.062) 8.018 2.321 ( -0.000 -2.210 -0.709) 2.321 2.737 ( -0.000 -0.458 1.691) 1.752 3.414 ( 0.000 -12.542 5.961) 13.887 3.817 ( 0.000 5.320 -7.216) 8.965 3.893 ( -0.000 -2.999 5.139) 5.950 5.331 ( 0.000 -5.476 0.971) 5.562 5.873 ( 0.000 -25.352 -16.530) 30.265 6.178 ( 0.000 -25.942 -10.797) 28.099 6.262 ( 0.000 -2.753 -3.586) 4.521 7.108 ( 0.000 2.326 -1.575) 2.809 7.396 ( 0.000 -2.683 -9.187) 9.571 8.698 ( 0.000 0.212 14.217) 14.218 8.766 ( -0.000 30.288 6.125) 30.901 9.124 ( 0.000 26.288 13.136) 29.387 9.771 ( 0.000 -1.091 -6.979) 7.064 10.582 ( -0.000 4.191 -5.553) 6.957 10.730 ( 0.000 7.850 1.472) 7.987 11.330 ( 0.000 2.788 15.425) 15.675 11.893 ( 0.000 7.948 -3.650) 8.746 12.218 ( 0.000 -6.176 8.524) 10.526 12.304 ( 0.000 -8.627 11.452) 14.338 14.432 ( 0.000 -13.568 19.456) 23.720 14.642 ( 0.000 -11.682 4.845) 12.647 15.966 ( -0.000 2.302 1.872) 2.967 16.041 ( 0.000 0.965 -0.737) 1.215 18.283 ( 0.000 13.633 -14.375) 19.811 18.289 ( -0.000 11.251 -9.338) 14.621 20.212 ( 0.000 -2.659 0.770) 2.768 20.272 ( -0.000 -2.058 -9.321) 9.545 23.505 ( -0.000 -2.657 -2.531) 3.670 23.696 ( 0.000 -3.493 -4.498) 5.695 23.920 ( 0.000 -0.781 -5.412) 5.468 23.996 ( -0.000 -1.655 -5.161) 5.420 24.969 ( -0.000 9.072 -2.738) 9.476 25.078 ( 0.000 10.021 -2.536) 10.337 26.697 ( 0.000 -7.743 7.446) 10.742 26.699 ( -0.000 -8.301 7.836) 11.415 ======================= Grid point 133 (53/144) ======================= q-point: ( 0.00 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 -6.972 -9.074) 11.443 1.210 ( 0.000 -4.476 -19.942) 20.438 1.516 ( 0.000 -14.682 -0.642) 14.696 1.872 ( 0.000 1.717 -2.389) 2.942 1.995 ( 0.000 -7.976 -5.325) 9.590 2.553 ( 0.000 -5.192 -3.084) 6.039 2.829 ( 0.000 -15.174 -0.688) 15.190 3.258 ( 0.000 3.315 6.117) 6.957 3.411 ( 0.000 -19.295 -4.691) 19.857 4.268 ( 0.000 -5.971 6.570) 8.878 5.236 ( 0.000 -30.015 -12.733) 32.604 5.288 ( 0.000 -13.083 -10.917) 17.039 6.097 ( 0.000 5.371 11.513) 12.704 6.184 ( 0.000 -21.179 3.655) 21.492 7.475 ( 0.000 12.539 12.146) 17.457 7.509 ( 0.000 20.240 -9.588) 22.397 8.430 ( 0.000 3.358 -9.898) 10.452 9.116 ( 0.000 8.522 1.646) 8.679 9.482 ( 0.000 26.928 0.064) 26.928 9.818 ( 0.000 -0.258 8.893) 8.897 10.411 ( 0.000 11.083 4.717) 12.045 10.773 ( 0.000 9.236 -6.831) 11.488 11.411 ( 0.000 -10.060 5.650) 11.538 11.794 ( 0.000 0.838 1.725) 1.918 12.171 ( 0.000 0.394 17.909) 17.913 13.084 ( 0.000 -1.429 14.800) 14.869 14.250 ( 0.000 -19.002 -5.519) 19.787 14.442 ( 0.000 -13.386 -0.884) 13.415 15.757 ( 0.000 9.263 20.681) 22.660 16.751 ( 0.000 -11.714 3.709) 12.287 17.893 ( 0.000 20.924 -4.883) 21.486 18.889 ( 0.000 24.537 -24.830) 34.909 19.062 ( 0.000 -5.420 -1.100) 5.530 20.864 ( 0.000 -6.288 -9.506) 11.398 23.218 ( 0.000 -6.614 -7.773) 10.206 23.681 ( 0.000 0.096 -1.436) 1.439 23.794 ( 0.000 -0.478 -2.303) 2.352 24.173 ( 0.000 -1.806 -1.138) 2.135 24.694 ( 0.000 10.176 -7.093) 12.404 25.262 ( 0.000 10.401 -3.104) 10.854 26.524 ( 0.000 -13.037 2.534) 13.281 27.045 ( 0.000 -7.056 18.324) 19.636 ======================= Grid point 134 (54/144) ======================= q-point: ( 0.17 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 1.209 -3.058 -13.402) 13.800 1.233 ( 2.394 -8.230 -7.493) 11.385 1.601 ( 9.975 -5.293 -9.009) 14.445 1.909 ( 1.029 -5.509 -4.655) 7.285 2.079 ( 9.506 3.271 3.793) 10.744 2.506 ( -3.599 -5.283 -2.935) 7.034 2.812 ( -2.244 -10.409 1.004) 10.695 3.181 ( 0.054 -6.495 0.392) 6.507 3.666 ( 14.582 -7.791 0.247) 16.534 4.192 ( -7.406 -6.146 5.578) 11.124 5.203 ( -3.207 -21.194 -15.168) 26.259 5.299 ( 0.991 -20.267 -10.364) 22.785 6.035 ( -4.932 -7.158 6.954) 11.132 6.220 ( 3.064 -10.577 7.535) 13.343 7.192 ( -14.813 14.646 -2.903) 21.032 7.637 ( -0.223 11.817 1.578) 11.924 8.533 ( 10.162 3.060 -4.594) 11.565 9.125 ( 0.292 9.520 1.735) 9.681 9.467 ( -0.645 26.094 2.466) 26.218 9.830 ( 0.677 3.736 5.921) 7.034 10.402 ( 0.414 10.023 2.995) 10.469 10.865 ( 7.167 10.702 -3.052) 13.237 11.540 ( 11.339 -10.820 8.338) 17.753 11.685 ( -7.354 1.592 1.741) 7.723 12.160 ( -2.291 3.199 10.754) 11.452 12.987 ( -9.714 -4.495 14.064) 17.674 14.343 ( 8.087 -19.108 -0.057) 20.749 14.470 ( 2.888 -14.221 -0.014) 14.511 15.771 ( 1.799 9.026 18.064) 20.273 16.637 ( -10.894 -9.434 2.622) 14.648 17.937 ( 4.347 19.120 -5.461) 20.354 18.652 ( -13.369 12.710 -16.406) 24.687 19.357 ( 18.958 5.525 -7.685) 21.190 20.746 ( -11.255 -6.301 -10.166) 16.424 23.261 ( 4.100 -5.951 -6.649) 9.821 23.678 ( -0.741 -0.790 -0.985) 1.464 23.780 ( -0.889 -0.238 -3.114) 3.247 24.098 ( -6.290 -2.687 -2.810) 7.395 24.784 ( 7.644 11.973 -4.914) 15.031 25.251 ( -1.265 11.243 -2.755) 11.645 26.548 ( 2.439 -13.096 2.974) 13.649 26.988 ( -5.329 -8.555 15.531) 18.515 ======================= Grid point 135 (55/144) ======================= q-point: ( 0.33 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 9.874 1.843 -10.029) 14.194 1.323 ( 5.339 -6.641 -1.131) 8.596 1.799 ( 8.004 -2.390 -8.745) 12.093 1.937 ( 1.621 -8.630 -3.049) 9.295 2.288 ( 8.696 9.685 8.055) 15.307 2.438 ( -2.748 -1.455 -0.356) 3.130 2.794 ( 2.769 0.208 3.283) 4.300 3.257 ( 5.898 -12.643 0.966) 13.984 3.840 ( 2.527 2.456 -0.677) 3.588 4.006 ( -10.052 -4.618 1.822) 11.211 5.132 ( -3.179 -15.822 -14.431) 21.649 5.317 ( 0.571 -24.383 -13.997) 28.121 5.950 ( -2.973 -12.476 4.864) 13.717 6.258 ( -0.817 -3.453 5.495) 6.541 7.018 ( 0.091 6.220 -3.475) 7.126 7.493 ( -12.961 3.120 -1.011) 13.369 8.772 ( 11.890 2.825 3.398) 12.684 9.104 ( -2.326 13.421 0.369) 13.626 9.498 ( 4.071 24.307 6.326) 25.444 9.802 ( -4.206 8.599 3.738) 10.277 10.473 ( 7.093 8.514 0.888) 11.117 10.935 ( -2.659 9.515 1.051) 9.935 11.571 ( 1.366 6.146 7.835) 10.051 11.856 ( 13.843 -8.800 4.207) 16.934 12.086 ( -1.995 4.503 2.674) 5.605 12.714 ( -17.456 -9.215 11.115) 22.653 14.500 ( 6.496 -19.108 8.194) 21.782 14.546 ( 4.019 -16.491 3.591) 17.349 15.854 ( 7.248 7.389 11.328) 15.345 16.365 ( -15.587 -3.911 1.994) 16.193 18.053 ( 7.156 15.701 -7.344) 18.753 18.417 ( -10.657 11.386 -12.821) 20.188 19.734 ( 18.981 4.214 -8.191) 21.098 20.462 ( -16.674 -4.402 -10.103) 19.987 23.362 ( 5.583 -4.611 -4.080) 8.311 23.633 ( -3.625 -3.013 -1.406) 4.919 23.787 ( 1.752 0.021 -4.163) 4.517 23.969 ( -6.119 -2.673 -4.451) 8.024 24.943 ( 7.727 13.727 -2.481) 15.946 25.207 ( -3.193 12.901 -2.295) 13.487 26.618 ( 4.654 -13.014 4.301) 14.475 26.861 ( -6.982 -10.943 10.525) 16.711 ======================= Grid point 136 (56/144) ======================= q-point: (-0.50 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.000 -0.866 -7.535) 7.584 1.385 ( -0.000 -3.114 0.992) 3.268 1.905 ( 0.000 -2.523 -3.034) 3.946 1.931 ( -0.000 -10.125 -7.420) 12.553 2.350 ( 0.000 1.844 4.597) 4.954 2.420 ( -0.000 5.798 4.046) 7.070 2.877 ( -0.000 9.221 8.276) 12.390 3.330 ( -0.000 -17.540 3.176) 17.825 3.829 ( -0.000 12.091 -3.359) 12.549 3.891 ( 0.000 -4.549 -1.591) 4.819 5.099 ( 0.000 -15.191 -13.694) 20.453 5.320 ( 0.000 -25.186 -15.763) 29.712 5.924 ( -0.000 -12.678 4.996) 13.627 6.224 ( 0.000 -0.116 1.219) 1.225 7.166 ( 0.000 3.840 2.698) 4.693 7.226 ( -0.000 -4.773 -5.850) 7.550 8.913 ( -0.000 1.976 7.665) 7.916 9.066 ( -0.000 16.955 -1.999) 17.072 9.576 ( 0.000 24.866 9.443) 26.598 9.718 ( -0.000 7.809 1.648) 7.981 10.599 ( 0.000 6.902 1.394) 7.041 10.841 ( 0.000 9.800 0.404) 9.808 11.636 ( -0.000 7.330 12.142) 14.183 11.900 ( 0.000 8.522 -4.372) 9.578 12.302 ( -0.000 -8.250 8.259) 11.673 12.362 ( 0.000 -13.082 6.656) 14.677 14.573 ( -0.000 -18.092 3.831) 18.493 14.585 ( 0.000 -18.529 13.661) 23.020 16.046 ( -0.000 2.801 5.009) 5.738 16.085 ( 0.000 2.372 4.501) 5.088 18.187 ( 0.000 13.672 -11.440) 17.827 18.250 ( -0.000 11.812 -8.105) 14.325 20.064 ( 0.000 0.267 -12.183) 12.186 20.151 ( -0.000 -0.499 -6.107) 6.128 23.439 ( -0.000 -3.093 -1.237) 3.331 23.576 ( 0.000 -4.878 -3.677) 6.109 23.825 ( 0.000 -0.539 -4.500) 4.533 23.888 ( -0.000 -1.841 -4.815) 5.155 25.046 ( -0.000 13.760 -1.153) 13.808 25.151 ( 0.000 14.070 -2.641) 14.315 26.726 ( 0.000 -12.067 6.479) 13.696 26.730 ( -0.000 -12.749 6.887) 14.491 ======================= Grid point 140 (57/144) ======================= q-point: ( 0.00 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 -12.097 -18.435) 22.050 0.760 ( 0.000 -13.001 -13.332) 18.622 1.334 ( 0.000 -27.545 -0.975) 27.562 1.774 ( 0.000 -11.297 -3.754) 11.905 1.805 ( 0.000 -8.068 -3.461) 8.779 2.449 ( 0.000 -4.729 -2.280) 5.250 2.719 ( 0.000 -5.073 -0.297) 5.081 3.186 ( 0.000 -16.921 -0.176) 16.922 3.396 ( 0.000 3.317 5.609) 6.517 4.300 ( 0.000 -7.638 5.530) 9.430 4.766 ( 0.000 -25.335 -8.003) 26.569 4.993 ( 0.000 -8.734 -9.945) 13.235 6.112 ( 0.000 -13.126 4.860) 13.997 6.326 ( 0.000 1.890 8.568) 8.774 7.603 ( 0.000 27.280 -5.739) 27.877 7.764 ( 0.000 9.062 7.229) 11.592 8.285 ( 0.000 3.092 -9.410) 9.905 9.111 ( 0.000 -11.377 0.624) 11.394 9.716 ( 0.000 25.302 -1.981) 25.380 10.007 ( 0.000 11.469 4.610) 12.361 10.561 ( 0.000 6.734 2.076) 7.047 10.778 ( 0.000 7.922 -2.650) 8.353 11.377 ( 0.000 -9.270 1.509) 9.392 11.846 ( 0.000 0.744 2.310) 2.427 12.445 ( 0.000 1.270 11.092) 11.164 13.383 ( 0.000 -0.332 20.391) 20.393 13.994 ( 0.000 -15.903 -3.319) 16.245 14.286 ( 0.000 -14.930 0.114) 14.930 16.117 ( 0.000 5.591 8.663) 10.310 16.748 ( 0.000 -8.406 8.038) 11.631 18.009 ( 0.000 16.888 -3.225) 17.193 18.633 ( 0.000 21.852 -30.796) 37.761 19.000 ( 0.000 -3.530 -0.509) 3.566 20.655 ( 0.000 -3.213 -6.958) 7.664 23.027 ( 0.000 -7.072 -5.326) 8.853 23.660 ( 0.000 -0.015 -0.904) 0.904 23.764 ( 0.000 0.342 -1.244) 1.290 24.144 ( 0.000 -1.454 -0.423) 1.515 24.619 ( 0.000 9.107 -12.768) 15.683 25.334 ( 0.000 12.442 -1.522) 12.534 26.412 ( 0.000 -15.352 0.883) 15.378 27.344 ( 0.000 -7.088 23.422) 24.471 ======================= Grid point 141 (58/144) ======================= q-point: ( 0.17 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 11.672 -6.236 -7.453) 15.188 0.989 ( 13.373 -13.695 -7.630) 20.606 1.392 ( 7.453 -11.168 -6.741) 15.023 1.713 ( 5.292 -9.944 -6.529) 13.020 2.115 ( 15.448 -11.424 0.257) 19.215 2.421 ( 2.052 1.001 0.067) 2.285 2.765 ( 0.623 -2.534 2.300) 3.479 3.160 ( 2.057 -1.416 1.426) 2.876 3.657 ( 16.484 -1.422 4.249) 17.082 4.189 ( -10.528 -9.415 3.632) 14.583 4.744 ( -1.454 -19.903 -11.024) 22.798 4.969 ( -2.937 -13.316 -7.971) 15.795 6.057 ( -3.701 -9.816 6.050) 12.110 6.355 ( 2.680 -0.466 8.510) 8.935 7.285 ( -19.920 18.283 -3.945) 27.325 7.781 ( -7.901 7.268 2.402) 11.001 8.475 ( 16.844 5.366 -5.950) 18.653 9.129 ( 0.830 -9.108 0.373) 9.154 9.745 ( 3.226 25.109 0.949) 25.333 10.060 ( 4.025 18.129 5.978) 19.509 10.526 ( -1.293 8.789 0.769) 8.916 10.951 ( 12.486 8.955 1.227) 15.414 11.493 ( 10.344 -11.420 0.123) 15.409 11.757 ( -5.911 1.657 2.676) 6.697 12.361 ( -7.612 4.180 6.739) 10.992 13.180 ( -17.526 -6.930 12.905) 22.841 14.138 ( 10.261 -17.737 -1.116) 20.522 14.360 ( 6.998 -15.825 4.170) 17.798 16.089 ( -1.764 5.535 6.456) 8.685 16.641 ( -9.369 -6.100 7.689) 13.568 18.032 ( 2.250 15.478 -3.297) 15.984 18.452 ( -10.002 10.314 -18.968) 23.795 19.293 ( 19.406 7.611 -6.040) 21.702 20.500 ( -13.132 -6.145 -9.342) 17.248 23.110 ( 7.168 -4.744 -3.282) 9.201 23.661 ( -0.345 -0.698 -0.089) 0.783 23.739 ( -1.993 0.340 -1.583) 2.568 24.008 ( -9.091 -4.496 -3.667) 10.785 24.819 ( 14.243 16.505 -6.279) 22.687 25.340 ( 0.173 13.920 -1.279) 13.979 26.441 ( 2.947 -15.868 1.201) 16.184 27.170 ( -14.235 -13.218 15.890) 25.097 ======================= Grid point 142 (59/144) ======================= q-point: ( 0.33 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 13.670 -4.357 0.966) 14.380 1.238 ( 10.895 -11.808 0.651) 16.080 1.552 ( 7.653 -6.420 -11.998) 15.612 1.822 ( 1.822 -7.353 -0.773) 7.615 2.339 ( 9.010 -6.945 -3.130) 11.798 2.555 ( 3.484 9.193 6.971) 12.051 2.827 ( 12.410 -3.070 0.880) 12.814 3.263 ( 5.924 3.066 5.273) 8.503 3.840 ( -0.393 -2.964 0.200) 2.997 3.946 ( -10.303 -3.067 -1.943) 10.924 4.728 ( -0.115 -16.292 -10.057) 19.146 4.895 ( -3.450 -17.941 -8.580) 20.184 6.013 ( -0.440 -1.945 8.129) 8.370 6.373 ( -3.458 3.393 5.738) 7.510 7.009 ( -3.778 5.387 -3.485) 7.445 7.508 ( -17.372 -0.998 0.310) 17.403 8.805 ( 14.732 4.623 -2.773) 15.687 9.122 ( -1.849 -2.615 -1.227) 3.429 9.837 ( 6.042 23.875 5.354) 25.203 10.092 ( -2.467 22.075 8.430) 23.758 10.580 ( 7.767 9.584 0.418) 12.343 11.061 ( -4.281 7.987 3.052) 9.562 11.666 ( 8.708 4.803 -4.548) 10.935 11.846 ( 14.458 -12.036 6.745) 19.985 12.186 ( -8.604 8.337 1.446) 12.067 12.768 ( -23.167 -13.078 6.821) 27.464 14.325 ( 8.455 -20.951 -0.253) 22.594 14.490 ( 4.280 -20.064 5.379) 21.209 16.096 ( 3.249 6.471 5.803) 9.279 16.430 ( -11.240 -0.222 8.236) 13.937 18.091 ( 3.562 12.608 -4.140) 13.740 18.298 ( -6.059 8.226 -11.087) 15.076 19.640 ( 15.683 6.252 -7.086) 18.310 20.222 ( -14.099 -5.004 -10.341) 18.187 23.270 ( 8.588 -3.297 -1.222) 9.280 23.603 ( -5.830 -2.685 0.978) 6.493 23.727 ( 1.007 0.297 -2.642) 2.843 23.859 ( -5.724 -3.377 -4.452) 7.999 25.067 ( 10.311 19.909 -1.887) 22.500 25.323 ( -2.214 16.791 -1.118) 16.973 26.529 ( 6.019 -16.844 2.162) 18.017 26.893 ( -12.767 -17.416 7.760) 22.946 ======================= Grid point 143 (60/144) ======================= q-point: (-0.50 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -0.000 -6.544 2.017) 6.848 1.351 ( -0.000 -10.617 0.491) 10.628 1.702 ( 0.000 -8.407 -5.150) 9.859 1.758 ( -0.000 -7.685 -5.750) 9.598 2.479 ( -0.000 4.988 4.498) 6.717 2.520 ( 0.000 4.243 1.792) 4.606 3.133 ( 0.000 6.037 8.181) 10.167 3.228 ( -0.000 -11.677 1.914) 11.832 3.776 ( -0.000 -4.224 -3.584) 5.539 3.861 ( -0.000 6.950 -4.886) 8.495 4.730 ( 0.000 -15.390 -6.828) 16.836 4.860 ( -0.000 -19.056 -10.522) 21.768 6.025 ( -0.000 2.843 10.387) 10.769 6.284 ( 0.000 7.967 -0.336) 7.974 7.108 ( -0.000 -7.372 0.101) 7.373 7.216 ( 0.000 -0.620 -0.666) 0.910 9.001 ( -0.000 2.098 0.719) 2.218 9.059 ( 0.000 2.850 -5.342) 6.055 9.975 ( 0.000 23.704 8.340) 25.128 9.980 ( -0.000 20.363 7.905) 21.844 10.740 ( 0.000 8.039 5.201) 9.575 10.922 ( -0.000 10.239 -2.687) 10.586 11.862 ( -0.000 7.008 3.753) 7.950 11.911 ( 0.000 6.804 -3.184) 7.512 12.302 ( -0.000 -14.977 3.740) 15.437 12.327 ( 0.000 -10.173 4.273) 11.034 14.431 ( -0.000 -21.405 2.724) 21.578 14.515 ( 0.000 -22.936 1.775) 23.005 16.209 ( 0.000 5.085 8.016) 9.493 16.236 ( -0.000 4.581 7.133) 8.477 18.149 ( 0.000 10.669 -5.954) 12.218 18.218 ( -0.000 8.851 -7.160) 11.385 19.883 ( 0.000 1.463 -7.688) 7.826 19.992 ( 0.000 -0.554 -10.106) 10.121 23.413 ( -0.000 -2.454 1.458) 2.854 23.483 ( 0.000 -4.162 -1.610) 4.463 23.752 ( 0.000 -0.499 -2.765) 2.810 23.791 ( -0.000 -1.599 -4.014) 4.321 25.203 ( -0.000 19.132 0.608) 19.141 25.266 ( 0.000 18.937 -2.479) 19.099 26.677 ( 0.000 -17.259 3.920) 17.698 26.679 ( -0.000 -17.957 4.051) 18.408 ======================= Grid point 147 (61/144) ======================= q-point: ( 0.00 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 -20.266 -0.000) 20.266 0.444 ( 0.000 -21.191 -0.000) 21.191 0.912 ( 0.000 -42.573 -0.000) 42.573 1.568 ( 0.000 -17.847 -0.000) 17.847 1.787 ( 0.000 0.156 0.000) 0.156 2.379 ( 0.000 -3.930 -0.000) 3.930 2.709 ( 0.000 2.745 0.000) 2.745 3.050 ( 0.000 -12.386 -0.000) 12.386 3.510 ( 0.000 4.400 0.000) 4.400 4.363 ( 0.000 0.624 0.000) 0.624 4.475 ( 0.000 -18.638 -0.000) 18.638 4.732 ( 0.000 -12.337 -0.000) 12.337 6.048 ( 0.000 -8.751 -0.000) 8.751 6.416 ( 0.000 0.722 0.000) 0.722 7.840 ( 0.000 29.858 0.000) 29.858 7.898 ( 0.000 5.473 0.000) 5.473 8.185 ( 0.000 0.022 0.000) 0.022 8.946 ( 0.000 -21.977 -0.000) 21.977 9.932 ( 0.000 22.386 0.000) 22.386 10.176 ( 0.000 13.594 0.000) 13.594 10.623 ( 0.000 2.765 0.000) 2.765 10.809 ( 0.000 1.550 0.000) 1.550 11.314 ( 0.000 -4.697 -0.000) 4.697 11.844 ( 0.000 -3.349 -0.000) 3.349 12.563 ( 0.000 1.163 0.000) 1.163 13.720 ( 0.000 8.853 0.000) 8.853 13.829 ( 0.000 -11.253 -0.000) 11.253 14.204 ( 0.000 -8.981 -0.000) 8.981 16.185 ( 0.000 0.565 0.000) 0.565 16.805 ( 0.000 -2.816 -0.000) 2.816 18.116 ( 0.000 11.507 0.000) 11.507 18.302 ( 0.000 2.221 0.000) 2.221 18.973 ( 0.000 -1.970 -0.000) 1.970 20.600 ( 0.000 1.420 0.000) 1.420 22.912 ( 0.000 -5.624 -0.000) 5.624 23.651 ( 0.000 -0.039 -0.000) 0.039 23.751 ( 0.000 0.185 0.000) 0.185 24.128 ( 0.000 -1.028 -0.000) 1.028 24.463 ( 0.000 -1.026 -0.000) 1.026 25.449 ( 0.000 13.176 0.000) 13.176 26.264 ( 0.000 -15.529 -0.000) 15.529 27.658 ( 0.000 4.411 0.000) 4.411 ======================= Grid point 148 (62/144) ======================= q-point: ( 0.17 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 20.218 -12.991 -0.000) 24.032 0.755 ( 22.067 -12.805 -0.000) 25.513 1.120 ( 15.425 -20.941 -0.000) 26.009 1.583 ( 11.684 -3.102 -0.000) 12.089 1.953 ( 6.249 -15.171 -0.000) 16.407 2.451 ( 10.313 0.503 0.000) 10.326 2.825 ( -1.594 4.621 0.000) 4.888 3.222 ( 10.105 9.709 0.000) 14.014 3.769 ( 13.904 9.840 0.000) 17.034 4.188 ( -12.973 -3.088 -0.000) 13.336 4.458 ( 0.110 -11.550 -0.000) 11.551 4.747 ( -2.278 -13.389 -0.000) 13.582 6.051 ( 2.678 -3.532 -0.000) 4.433 6.435 ( 2.217 -0.086 -0.000) 2.218 7.423 ( -24.760 15.907 0.000) 29.429 7.840 ( -15.140 1.740 0.000) 15.240 8.471 ( 20.670 7.740 0.000) 22.072 9.001 ( 4.037 -16.287 -0.000) 16.780 9.998 ( 6.085 22.745 0.000) 23.545 10.355 ( 9.034 27.448 0.000) 28.897 10.617 ( -0.945 8.460 0.000) 8.513 11.057 ( 18.508 5.782 0.000) 19.390 11.383 ( 4.852 -7.345 -0.000) 8.803 11.764 ( -3.748 -1.655 -0.000) 4.098 12.458 ( -8.607 2.168 0.000) 8.876 13.239 ( -29.851 -10.650 -0.000) 31.694 13.967 ( 7.041 -15.041 -0.000) 16.608 14.259 ( 4.662 -20.310 -0.000) 20.839 16.150 ( -0.207 3.387 0.000) 3.393 16.710 ( -7.119 -1.845 -0.000) 7.354 18.129 ( 1.166 10.598 0.000) 10.662 18.274 ( -1.725 3.332 0.000) 3.752 19.328 ( 20.656 13.203 0.000) 24.515 20.327 ( -17.089 -11.671 -0.000) 20.694 23.074 ( 9.847 1.618 0.000) 9.979 23.657 ( 0.082 -0.545 -0.000) 0.551 23.726 ( -2.227 0.296 0.000) 2.247 23.891 ( -9.535 -8.440 -0.000) 12.734 24.953 ( 24.554 28.259 0.000) 37.436 25.476 ( 2.084 15.513 0.000) 15.652 26.287 ( 2.444 -16.869 -0.000) 17.045 27.177 ( -29.049 -25.517 -0.000) 38.665 ======================= Grid point 149 (63/144) ======================= q-point: ( 0.33 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 11.353 -15.943 -0.000) 19.573 1.129 ( 13.690 -12.441 -0.000) 18.498 1.364 ( 9.558 -3.601 -0.000) 10.214 1.762 ( 1.123 -4.433 -0.000) 4.573 2.227 ( 21.563 -5.761 -0.000) 22.320 2.688 ( 4.132 3.356 0.000) 5.323 2.784 ( 7.836 -3.535 -0.000) 8.597 3.403 ( 5.726 8.049 0.000) 9.878 3.749 ( -9.974 -8.853 -0.000) 13.336 3.995 ( -7.799 9.687 0.000) 12.436 4.499 ( 3.791 -10.185 -0.000) 10.868 4.666 ( -4.565 -13.652 -0.000) 14.395 6.140 ( 6.011 8.229 0.000) 10.190 6.475 ( -1.366 4.407 0.000) 4.613 7.024 ( -10.868 5.234 0.000) 12.062 7.462 ( -20.839 -6.979 -0.000) 21.976 8.821 ( 14.197 5.463 0.000) 15.212 9.065 ( 1.383 -6.109 -0.000) 6.264 10.124 ( 6.769 20.978 0.000) 22.043 10.431 ( -3.926 24.700 0.000) 25.010 10.679 ( 10.506 11.375 0.000) 15.485 11.173 ( -8.225 5.497 0.000) 9.892 11.574 ( 17.297 -8.861 -0.000) 19.435 11.835 ( 8.572 -0.956 -0.000) 8.625 12.279 ( -8.569 6.474 0.000) 10.740 12.687 ( -26.108 -15.399 -0.000) 30.311 14.123 ( 8.333 -18.418 -0.000) 20.215 14.321 ( 0.540 -22.226 -0.000) 22.233 16.206 ( 5.632 6.214 0.000) 8.387 16.546 ( -9.394 1.763 0.000) 9.558 18.159 ( 1.818 8.637 0.000) 8.827 18.238 ( -1.968 4.941 0.000) 5.318 19.639 ( 12.138 7.799 0.000) 14.427 20.053 ( -11.428 -8.011 -0.000) 13.956 23.251 ( 8.750 -0.066 -0.000) 8.750 23.593 ( -7.096 -2.649 -0.000) 7.574 23.705 ( 0.635 0.411 0.000) 0.756 23.773 ( -3.303 -3.263 -0.000) 4.643 25.286 ( 11.120 28.296 0.000) 30.402 25.498 ( -0.571 20.234 0.000) 20.242 26.366 ( 5.691 -19.695 -0.000) 20.501 26.751 ( -15.535 -26.974 -0.000) 31.128 ======================= Grid point 150 (64/144) ======================= q-point: (-0.50 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -2.697 -14.124 0.000) 14.379 1.173 ( 2.697 -14.124 0.000) 14.379 1.623 ( -12.652 -4.822 0.000) 13.540 1.623 ( 12.652 -4.822 0.000) 13.540 2.573 ( -10.890 4.182 0.000) 11.665 2.573 ( 10.890 4.182 0.000) 11.665 3.170 ( -22.546 -6.442 -0.000) 23.448 3.170 ( 22.546 -6.442 -0.000) 23.448 3.804 ( -5.873 3.989 0.000) 7.099 3.804 ( 5.873 3.989 0.000) 7.099 4.581 ( -1.567 -11.683 0.000) 11.787 4.581 ( 1.567 -11.683 0.000) 11.787 6.310 ( -4.083 13.740 0.000) 14.334 6.310 ( 4.083 13.740 0.000) 14.334 7.096 ( -8.445 -8.229 0.000) 11.792 7.096 ( 8.445 -8.229 0.000) 11.792 9.022 ( -5.760 1.287 0.000) 5.903 9.022 ( 5.760 1.287 0.000) 5.903 10.282 ( -8.665 19.843 0.000) 21.652 10.282 ( 8.665 19.843 0.000) 21.652 10.939 ( -7.681 10.751 0.000) 13.213 10.939 ( 7.681 10.751 0.000) 13.213 11.889 ( -9.026 -5.434 -0.000) 10.536 11.889 ( 9.026 -5.434 -0.000) 10.536 12.262 ( -11.819 -4.398 0.000) 12.611 12.262 ( 11.819 -4.398 0.000) 12.611 14.268 ( -3.371 -20.662 0.000) 20.936 14.268 ( 3.371 -20.662 0.000) 20.936 16.357 ( -8.991 4.773 0.000) 10.180 16.357 ( 8.991 4.773 0.000) 10.180 18.198 ( -0.684 6.617 0.000) 6.652 18.198 ( 0.684 6.617 0.000) 6.652 19.848 ( -7.200 -0.342 0.000) 7.208 19.848 ( 7.200 -0.342 0.000) 7.208 23.427 ( -7.920 -1.853 0.000) 8.134 23.427 ( 7.920 -1.853 0.000) 8.134 23.728 ( -0.775 -0.800 0.000) 1.114 23.728 ( 0.775 -0.800 0.000) 1.114 25.441 ( -3.653 24.105 0.000) 24.380 25.441 ( 3.653 24.105 0.000) 24.380 26.513 ( -9.404 -22.915 -0.000) 24.770 26.513 ( 9.404 -22.915 -0.000) 24.770 ======================= Grid point 168 (65/144) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 -0.000 13.269) 13.269 1.184 ( 0.000 -0.000 1.627) 1.627 2.035 ( 0.000 -0.000 11.363) 11.363 2.078 ( 0.000 -0.000 1.946) 1.946 2.203 ( 0.000 0.000 -9.817) 9.817 2.670 ( 0.000 -0.000 0.042) 0.042 2.717 ( 0.000 -0.000 25.324) 25.324 3.071 ( 0.000 0.000 -1.890) 1.890 3.739 ( 0.000 -0.000 24.423) 24.423 4.520 ( 0.000 -0.000 11.176) 11.176 4.845 ( 0.000 -0.000 3.142) 3.142 5.195 ( 0.000 0.000 -10.632) 10.632 5.678 ( 0.000 -0.000 26.085) 26.085 6.053 ( 0.000 -0.000 3.493) 3.493 7.269 ( 0.000 0.000 -15.045) 15.045 8.044 ( 0.000 0.000 -11.042) 11.042 8.735 ( 0.000 -0.000 3.990) 3.990 8.798 ( 0.000 -0.000 6.006) 6.006 9.735 ( 0.000 0.000 -18.928) 18.928 9.804 ( 0.000 0.000 -16.168) 16.168 10.662 ( 0.000 -0.000 3.619) 3.619 10.926 ( 0.000 -0.000 5.917) 5.917 11.169 ( 0.000 0.000 -25.821) 25.821 11.418 ( 0.000 -0.000 5.571) 5.571 12.014 ( 0.000 0.000 -13.736) 13.736 12.471 ( 0.000 -0.000 2.371) 2.371 14.097 ( 0.000 -0.000 4.297) 4.297 14.253 ( 0.000 -0.000 14.373) 14.373 15.105 ( 0.000 0.000 -21.792) 21.792 16.557 ( 0.000 -0.000 6.297) 6.297 18.465 ( 0.000 0.000 -15.046) 15.046 18.845 ( 0.000 -0.000 11.418) 11.418 20.131 ( 0.000 0.000 -12.625) 12.625 20.735 ( 0.000 -0.000 19.632) 19.632 23.426 ( 0.000 -0.000 7.882) 7.882 23.739 ( 0.000 -0.000 1.331) 1.331 23.950 ( 0.000 -0.000 5.705) 5.705 24.196 ( 0.000 -0.000 2.535) 2.535 25.310 ( 0.000 0.000 -15.342) 15.342 25.588 ( 0.000 0.000 -4.059) 4.059 26.125 ( 0.000 -0.000 4.563) 4.563 26.207 ( 0.000 -0.000 6.101) 6.101 ======================= Grid point 169 (66/144) ======================= q-point: ( 0.17 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 11.039 -0.000 11.437) 15.895 1.307 ( 10.672 0.000 -0.224) 10.675 2.014 ( -1.663 -0.000 5.392) 5.643 2.037 ( -3.788 -0.000 2.477) 4.526 2.247 ( 3.864 0.000 -5.418) 6.655 2.539 ( -6.254 -0.000 5.099) 8.069 2.888 ( 8.850 -0.000 15.790) 18.101 3.047 ( -2.148 0.000 -3.798) 4.364 3.847 ( 10.477 -0.000 21.598) 24.005 4.483 ( -3.227 -0.000 12.649) 13.054 4.906 ( 5.263 -0.000 4.354) 6.831 5.180 ( -1.538 0.000 -9.363) 9.489 5.693 ( 2.156 -0.000 25.239) 25.331 6.005 ( -3.752 -0.000 2.231) 4.365 7.326 ( 4.135 0.000 -11.063) 11.811 7.797 ( -18.919 0.000 -6.388) 19.968 8.798 ( -0.058 -0.000 4.868) 4.868 8.929 ( 13.228 -0.000 0.216) 13.229 9.697 ( -1.935 0.000 -17.460) 17.567 9.802 ( -0.754 0.000 -15.126) 15.145 10.676 ( 0.316 -0.000 0.519) 0.608 10.746 ( -10.833 0.000 -7.039) 12.919 11.338 ( 10.863 0.000 -13.027) 16.962 11.467 ( 4.873 -0.000 4.555) 6.670 12.056 ( 3.483 0.000 -13.455) 13.899 12.421 ( -4.932 -0.000 1.610) 5.189 14.061 ( -3.114 -0.000 4.986) 5.879 14.192 ( -5.159 -0.000 9.493) 10.804 15.236 ( 12.187 0.000 -16.158) 20.238 16.459 ( -9.566 -0.000 4.699) 10.658 18.531 ( 6.046 0.000 -12.965) 14.306 18.840 ( -0.545 -0.000 10.424) 10.438 20.143 ( 1.252 0.000 -10.787) 10.859 20.655 ( -7.548 -0.000 18.149) 19.656 23.454 ( 2.618 -0.000 7.503) 7.947 23.721 ( -1.754 -0.000 1.900) 2.586 23.956 ( 0.624 -0.000 5.581) 5.616 24.157 ( -3.517 -0.000 3.174) 4.737 25.334 ( 2.294 0.000 -14.648) 14.827 25.572 ( -1.516 0.000 -5.200) 5.417 26.139 ( 1.408 -0.000 5.007) 5.202 26.216 ( 0.690 -0.000 5.858) 5.898 ======================= Grid point 170 (67/144) ======================= q-point: ( 0.33 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 11.258 -0.000 8.762) 14.266 1.522 ( 9.146 0.000 -0.820) 9.182 1.948 ( -4.469 -0.000 2.674) 5.208 1.975 ( -2.545 0.000 -0.561) 2.606 2.329 ( 3.862 0.000 -0.874) 3.960 2.441 ( -3.622 -0.000 2.854) 4.611 3.004 ( 2.760 -0.000 7.060) 7.581 3.010 ( -0.911 0.000 -6.630) 6.692 4.094 ( 12.577 -0.000 16.914) 21.078 4.406 ( -4.581 -0.000 14.275) 14.992 5.010 ( 4.539 -0.000 6.431) 7.872 5.136 ( -2.761 0.000 -3.016) 4.089 5.788 ( 7.173 -0.000 18.738) 20.064 5.951 ( -1.380 -0.000 1.977) 2.410 7.354 ( -2.192 0.000 -1.908) 2.906 7.449 ( -14.239 0.000 -1.314) 14.300 8.823 ( 4.058 0.000 -1.136) 4.215 9.086 ( 0.500 0.000 -3.921) 3.952 9.715 ( 3.469 0.000 -14.313) 14.727 9.780 ( -0.419 0.000 -11.852) 11.859 10.598 ( -4.000 0.000 -10.623) 11.351 10.644 ( -3.327 0.000 -3.694) 4.971 11.538 ( 9.023 0.000 -9.145) 12.847 11.588 ( 6.249 0.000 -0.009) 6.249 12.115 ( 2.149 0.000 -9.771) 10.004 12.292 ( -7.495 0.000 -0.314) 7.501 14.007 ( -1.615 -0.000 5.222) 5.466 14.086 ( -4.977 -0.000 4.536) 6.734 15.534 ( 17.048 0.000 -8.556) 19.075 16.207 ( -15.286 -0.000 1.080) 15.324 18.667 ( 6.783 0.000 -7.269) 9.942 18.822 ( -1.387 -0.000 6.959) 7.096 20.187 ( 3.540 0.000 -5.132) 6.234 20.472 ( -10.094 -0.000 12.835) 16.329 23.521 ( 3.983 -0.000 6.464) 7.593 23.672 ( -3.127 -0.000 3.294) 4.542 23.975 ( 1.391 -0.000 5.305) 5.484 24.079 ( -3.917 -0.000 4.222) 5.759 25.393 ( 3.486 0.000 -12.869) 13.332 25.529 ( -2.841 0.000 -7.759) 8.263 26.175 ( 1.985 -0.000 5.672) 6.009 26.224 ( -0.060 -0.000 5.683) 5.683 ======================= Grid point 171 (68/144) ======================= q-point: (-0.50 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -2.966 0.000 4.389) 5.298 1.582 ( 2.966 0.000 4.389) 5.298 1.918 ( -1.274 0.000 -0.578) 1.398 1.918 ( 1.274 0.000 -0.578) 1.398 2.388 ( -1.691 0.000 1.744) 2.430 2.388 ( 1.691 0.000 1.744) 2.430 3.015 ( -0.045 0.000 -3.353) 3.353 3.015 ( 0.045 0.000 -3.353) 3.353 4.292 ( -7.415 -0.000 14.793) 16.547 4.292 ( 7.415 -0.000 14.793) 16.547 5.080 ( -0.668 -0.000 4.292) 4.343 5.080 ( 0.668 -0.000 4.292) 4.343 5.914 ( -0.400 0.000 8.000) 8.010 5.914 ( 0.400 0.000 8.000) 8.010 7.302 ( -0.026 0.000 2.431) 2.432 7.302 ( 0.026 0.000 2.431) 2.432 8.970 ( -2.327 0.000 -6.047) 6.479 8.970 ( 2.327 0.000 -6.047) 6.479 9.776 ( -1.392 0.000 -11.009) 11.096 9.776 ( 1.392 0.000 -11.009) 11.096 10.581 ( -0.775 0.000 -7.909) 7.947 10.581 ( 0.775 0.000 -7.909) 7.947 11.652 ( -0.044 0.000 -6.413) 6.413 11.652 ( 0.044 0.000 -6.413) 6.413 12.166 ( -4.284 0.000 -3.521) 5.545 12.166 ( 4.284 0.000 -3.521) 5.545 14.013 ( -0.258 0.000 4.027) 4.035 14.013 ( 0.258 0.000 4.027) 4.035 15.880 ( -17.429 0.000 -3.224) 17.725 15.880 ( 17.429 0.000 -3.224) 17.725 18.774 ( -1.995 0.000 0.433) 2.041 18.774 ( 1.995 0.000 0.433) 2.041 20.293 ( -4.473 0.000 3.849) 5.901 20.293 ( 4.473 0.000 3.849) 5.901 23.601 ( -2.102 0.000 4.964) 5.391 23.601 ( 2.102 0.000 4.964) 5.391 24.014 ( -2.221 -0.000 4.903) 5.383 24.014 ( 2.221 -0.000 4.903) 5.383 25.464 ( -1.919 0.000 -10.484) 10.658 25.464 ( 1.919 0.000 -10.484) 10.658 26.209 ( -0.695 0.000 5.813) 5.855 26.209 ( 0.695 0.000 5.813) 5.855 ======================= Grid point 175 (69/144) ======================= q-point: ( 0.00 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 0.488 -0.496) 0.696 1.312 ( 0.000 4.396 11.803) 12.595 2.044 ( 0.000 -1.878 -6.487) 6.754 2.056 ( 0.000 -1.761 -2.725) 3.245 2.229 ( 0.000 2.031 8.702) 8.936 2.611 ( 0.000 -1.910 -4.491) 4.880 3.057 ( 0.000 -0.328 0.298) 0.443 3.148 ( 0.000 0.233 21.561) 21.562 4.126 ( 0.000 -9.357 21.630) 23.567 4.565 ( 0.000 -25.455 7.558) 26.553 4.902 ( 0.000 12.358 -2.341) 12.578 5.222 ( 0.000 24.945 0.299) 24.947 6.198 ( 0.000 2.568 11.391) 11.677 6.204 ( 0.000 3.762 27.168) 27.427 7.011 ( 0.000 2.101 -12.447) 12.623 7.828 ( 0.000 0.060 -12.188) 12.188 8.792 ( 0.000 -1.310 2.091) 2.467 8.863 ( 0.000 -3.999 0.223) 4.005 9.312 ( 0.000 -5.733 -24.024) 24.699 9.482 ( 0.000 0.826 -17.045) 17.065 10.598 ( 0.000 -17.142 -4.418) 17.703 10.930 ( 0.000 15.388 -5.382) 16.303 11.034 ( 0.000 0.819 4.760) 4.830 11.509 ( 0.000 -3.167 5.856) 6.658 11.766 ( 0.000 -4.971 -9.174) 10.434 12.523 ( 0.000 3.001 0.954) 3.149 14.220 ( 0.000 5.181 6.504) 8.315 14.538 ( 0.000 1.516 16.041) 16.113 14.804 ( 0.000 1.850 -12.646) 12.781 16.673 ( 0.000 0.643 5.995) 6.029 18.147 ( 0.000 -2.264 -18.292) 18.432 19.038 ( 0.000 0.738 8.981) 9.012 19.815 ( 0.000 -2.109 -19.811) 19.923 21.079 ( 0.000 -1.611 18.261) 18.332 23.538 ( 0.000 0.354 4.327) 4.342 23.755 ( 0.000 -0.075 0.471) 0.477 24.035 ( 0.000 0.017 3.331) 3.331 24.243 ( 0.000 0.654 2.144) 2.242 25.003 ( 0.000 -3.985 -14.913) 15.437 25.482 ( 0.000 -1.681 -6.265) 6.487 26.259 ( 0.000 4.245 6.747) 7.971 26.347 ( 0.000 1.507 8.052) 8.191 ======================= Grid point 176 (70/144) ======================= q-point: ( 0.17 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 7.613 -1.301 -1.010) 7.790 1.399 ( 7.706 4.569 8.343) 12.242 1.985 ( -4.057 -2.223 -3.914) 6.060 2.033 ( -3.021 0.455 -3.604) 4.724 2.270 ( 3.545 0.070 5.435) 6.489 2.549 ( -4.652 -1.565 -1.809) 5.231 2.982 ( -5.710 -3.060 -0.310) 6.486 3.197 ( 1.481 3.257 14.513) 14.947 4.192 ( 6.348 -10.365 19.588) 23.052 4.553 ( -1.023 -24.884 8.740) 26.394 4.980 ( 6.763 10.977 -1.376) 12.966 5.233 ( 1.356 25.951 1.631) 26.037 6.087 ( -7.016 -1.462 12.965) 14.814 6.238 ( 1.390 8.765 22.973) 24.627 7.133 ( 9.973 0.971 -8.813) 13.344 7.676 ( -12.795 2.206 -8.388) 15.457 8.754 ( -2.338 -13.354 -1.013) 13.595 8.978 ( 5.919 7.083 -3.939) 10.036 9.292 ( 0.331 -9.932 -21.047) 23.275 9.522 ( 2.975 3.228 -15.085) 15.710 10.518 ( -6.245 -8.748 -6.831) 12.735 10.770 ( -7.565 6.474 2.024) 10.161 11.215 ( 9.397 -0.550 -2.106) 9.646 11.563 ( 4.331 0.358 5.192) 6.771 11.818 ( 5.287 -5.051 -8.371) 11.115 12.459 ( -6.190 2.826 0.581) 6.830 14.179 ( -4.069 1.612 7.401) 8.599 14.380 ( -8.594 3.680 8.397) 12.566 15.058 ( 18.410 2.713 -5.026) 19.275 16.541 ( -12.433 0.957 3.795) 13.035 18.248 ( 9.367 -2.100 -16.358) 18.966 18.995 ( -4.228 0.604 5.364) 6.856 19.882 ( 6.658 -2.389 -14.942) 16.532 20.974 ( -10.266 -1.577 16.917) 19.851 23.558 ( 1.978 0.086 4.104) 4.556 23.748 ( -0.721 0.291 0.902) 1.191 24.039 ( 0.387 -0.052 3.227) 3.251 24.212 ( -2.861 0.768 2.285) 3.741 25.042 ( 3.737 -3.789 -14.165) 15.131 25.450 ( -3.117 -1.774 -6.936) 7.808 26.277 ( 1.688 3.913 7.015) 8.208 26.353 ( 0.508 1.664 7.860) 8.050 ======================= Grid point 177 (71/144) ======================= q-point: ( 0.33 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 9.280 -2.226 -3.209) 10.068 1.551 ( 5.967 2.726 2.710) 7.098 1.914 ( -2.723 -1.314 -2.426) 3.876 1.959 ( -3.776 1.164 -2.281) 4.562 2.352 ( 4.534 -1.313 1.935) 5.102 2.472 ( -2.853 -1.238 0.804) 3.212 2.887 ( -2.624 -3.711 -3.087) 5.494 3.141 ( -6.745 5.336 4.246) 9.591 4.330 ( 5.862 -16.115 13.181) 21.628 4.539 ( -0.062 -19.451 13.656) 23.766 5.115 ( 6.054 10.743 -1.564) 12.430 5.273 ( 1.935 24.628 6.670) 25.588 5.978 ( -3.254 -6.311 12.670) 14.524 6.278 ( 2.495 14.960 17.699) 23.308 7.298 ( 4.770 -1.443 -1.313) 5.154 7.442 ( -8.530 4.588 -2.834) 10.091 8.683 ( -3.506 -14.085 -5.264) 15.440 9.017 ( -1.942 6.461 -13.509) 15.100 9.358 ( 5.375 -13.297 -16.184) 21.625 9.566 ( 0.889 3.619 -10.970) 11.586 10.450 ( 0.546 -0.079 -4.098) 4.134 10.649 ( -5.468 5.431 -0.110) 7.708 11.354 ( 4.732 -10.232 -3.193) 11.717 11.647 ( 3.882 6.346 -0.107) 7.440 11.952 ( 7.561 -3.562 -4.568) 9.525 12.297 ( -9.635 1.629 0.016) 9.772 14.083 ( -4.456 -5.937 8.384) 11.197 14.270 ( -3.043 9.638 7.929) 12.846 15.443 ( 20.201 3.105 -3.608) 20.754 16.228 ( -18.428 1.775 0.121) 18.514 18.469 ( 12.001 -1.815 -12.557) 17.464 18.880 ( -7.365 0.378 -1.648) 7.557 20.069 ( 12.206 -3.205 -4.704) 13.468 20.704 ( -16.156 -1.252 12.600) 20.526 23.606 ( 2.601 -0.937 3.474) 4.440 23.727 ( -1.396 1.484 1.921) 2.801 24.053 ( 1.173 -0.028 3.046) 3.265 24.147 ( -3.342 0.845 2.620) 4.330 25.137 ( 5.612 -3.368 -12.427) 14.045 25.367 ( -5.095 -2.001 -8.588) 10.185 26.316 ( 2.020 3.183 7.435) 8.336 26.360 ( 0.030 2.069 7.583) 7.861 ======================= Grid point 178 (72/144) ======================= q-point: (-0.50 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.000 -1.658 -2.678) 3.149 1.597 ( 0.000 0.963 -3.703) 3.827 1.884 ( 0.000 -1.638 -0.087) 1.640 1.917 ( 0.000 1.583 -0.606) 1.695 2.422 ( 0.000 -1.616 0.549) 1.706 2.429 ( -0.000 -0.646 2.488) 2.570 2.889 ( 0.000 -5.551 -2.597) 6.129 3.026 ( -0.000 7.947 -3.289) 8.601 4.386 ( 0.000 -22.978 7.984) 24.326 4.544 ( 0.000 -12.140 18.180) 21.860 5.185 ( 0.000 13.028 -3.933) 13.608 5.289 ( 0.000 21.613 11.618) 24.538 5.952 ( 0.000 -11.335 14.361) 18.296 6.308 ( 0.000 20.068 11.496) 23.128 7.342 ( -0.000 1.360 0.657) 1.511 7.351 ( 0.000 1.213 4.016) 4.195 8.658 ( 0.000 -16.843 -8.781) 18.994 8.967 ( 0.000 11.286 -15.868) 19.472 9.441 ( 0.000 -14.345 -16.146) 21.598 9.557 ( 0.000 -1.172 -8.964) 9.041 10.506 ( -0.000 4.140 -2.817) 5.008 10.555 ( 0.000 7.653 -0.443) 7.665 11.402 ( 0.000 -17.179 -2.396) 17.345 11.692 ( 0.000 11.782 -5.534) 13.016 12.100 ( 0.000 -2.269 -1.127) 2.534 12.120 ( 0.000 -0.338 -0.453) 0.566 14.036 ( 0.000 -8.323 8.686) 12.030 14.242 ( 0.000 11.450 8.422) 14.214 15.829 ( -0.000 1.175 -2.630) 2.881 15.856 ( 0.000 4.120 -2.303) 4.720 18.665 ( 0.000 -3.932 -7.524) 8.489 18.733 ( -0.000 2.528 -8.209) 8.590 20.307 ( 0.000 -8.073 5.300) 9.657 20.423 ( -0.000 3.367 5.214) 6.207 23.641 ( 0.000 -2.879 2.768) 3.994 23.706 ( 0.000 3.501 2.807) 4.488 24.082 ( 0.000 -0.230 2.945) 2.954 24.096 ( -0.000 1.103 2.820) 3.028 25.240 ( -0.000 -4.038 -10.006) 10.790 25.269 ( 0.000 -1.238 -10.986) 11.055 26.346 ( -0.000 2.271 7.812) 8.135 26.352 ( 0.000 2.828 7.276) 7.806 ======================= Grid point 182 (73/144) ======================= q-point: ( 0.00 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 0.689 0.378) 0.786 1.538 ( 0.000 4.462 7.823) 9.006 1.932 ( 0.000 -1.024 -4.600) 4.713 1.957 ( 0.000 -1.548 -5.887) 6.087 2.379 ( 0.000 0.959 5.894) 5.972 2.514 ( 0.000 -2.790 -2.549) 3.779 3.068 ( 0.000 0.229 0.601) 0.643 3.454 ( 0.000 -6.175 14.987) 16.210 4.274 ( 0.000 -16.522 10.111) 19.370 4.420 ( 0.000 -27.750 8.317) 28.969 5.041 ( 0.000 13.949 3.188) 14.309 5.556 ( 0.000 21.044 8.415) 22.664 6.465 ( 0.000 -6.291 0.470) 6.309 6.485 ( 0.000 9.121 12.350) 15.353 7.102 ( 0.000 23.121 11.359) 25.760 7.624 ( 0.000 3.805 -12.465) 13.032 8.610 ( 0.000 -17.314 -18.269) 25.170 8.615 ( 0.000 -17.264 -13.774) 22.085 8.954 ( 0.000 2.371 -7.453) 7.821 9.373 ( 0.000 13.854 -3.364) 14.257 10.343 ( 0.000 -12.074 -5.724) 13.362 11.067 ( 0.000 0.882 -3.442) 3.553 11.113 ( 0.000 8.415 10.141) 13.178 11.510 ( 0.000 -9.192 1.996) 9.406 11.686 ( 0.000 -2.427 4.562) 5.168 12.571 ( 0.000 5.229 0.423) 5.246 14.425 ( 0.000 5.406 10.401) 11.722 14.687 ( 0.000 3.780 -3.958) 5.473 14.821 ( 0.000 -1.826 14.680) 14.793 16.780 ( 0.000 0.167 5.551) 5.554 17.795 ( 0.000 1.801 -19.990) 20.071 19.171 ( 0.000 -1.037 6.016) 6.105 19.419 ( 0.000 2.070 -23.764) 23.854 21.322 ( 0.000 -6.692 12.805) 14.448 23.590 ( 0.000 -0.249 1.507) 1.528 23.751 ( 0.000 -0.079 -0.850) 0.854 24.054 ( 0.000 -0.758 -1.151) 1.378 24.277 ( 0.000 0.795 0.637) 1.019 24.743 ( 0.000 -0.289 -10.975) 10.979 25.345 ( 0.000 -0.575 -7.523) 7.545 26.432 ( 0.000 2.846 8.654) 9.110 26.506 ( 0.000 -0.269 8.780) 8.784 ======================= Grid point 183 (74/144) ======================= q-point: ( 0.17 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.250 -0.168 -0.299) 5.261 1.566 ( 2.225 3.869 4.800) 6.554 1.902 ( -1.690 -0.596 -3.212) 3.678 1.944 ( -1.669 -0.323 -5.861) 6.102 2.351 ( -2.526 -1.721 3.438) 4.600 2.492 ( -1.715 -2.242 -1.024) 3.002 2.958 ( -7.992 -1.636 -0.118) 8.158 3.456 ( -3.376 2.149 11.075) 11.775 4.257 ( -0.819 -22.923 7.557) 24.150 4.453 ( 3.533 -26.590 9.950) 28.610 5.106 ( 5.280 11.568 3.186) 13.109 5.607 ( 4.996 23.524 9.552) 25.876 6.305 ( -7.362 5.748 7.170) 11.775 6.610 ( 4.073 1.199 8.322) 9.342 7.193 ( 8.641 18.831 8.832) 22.523 7.553 ( -6.438 6.315 -9.335) 12.980 8.462 ( -5.576 -20.829 -13.164) 25.264 8.685 ( -1.034 -12.340 -23.615) 26.665 8.977 ( 0.824 -4.428 -4.269) 6.206 9.448 ( 6.623 15.645 -4.297) 17.524 10.343 ( 1.284 -7.627 -3.780) 8.609 10.898 ( -10.641 2.200 5.596) 12.222 11.176 ( 2.390 1.884 -2.912) 4.212 11.624 ( 7.833 -5.436 3.812) 10.268 11.734 ( 5.295 -2.495 4.295) 7.260 12.508 ( -6.205 4.192 1.454) 7.628 14.356 ( -7.072 0.157 11.232) 13.274 14.545 ( -4.605 3.078 6.661) 8.663 15.088 ( 17.504 3.611 3.195) 18.156 16.611 ( -15.280 1.562 2.669) 15.590 17.934 ( 12.254 1.293 -17.647) 21.524 19.006 ( -11.565 0.709 -5.782) 12.950 19.625 ( 15.685 -0.612 -10.579) 18.929 21.197 ( -12.293 -6.383 11.789) 18.189 23.603 ( 1.239 -0.716 1.340) 1.960 23.756 ( 0.426 0.444 -0.473) 0.776 24.056 ( 0.321 -0.661 -1.168) 1.380 24.245 ( -2.858 1.004 0.301) 3.044 24.794 ( 4.832 -0.513 -10.438) 11.514 25.305 ( -3.910 -0.582 -7.709) 8.664 26.450 ( 1.637 2.564 8.684) 9.201 26.512 ( 0.445 -0.112 8.695) 8.707 ======================= Grid point 184 (75/144) ======================= q-point: ( 0.33 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 7.402 -0.995 -2.290) 7.812 1.584 ( -1.250 1.508 -1.014) 2.205 1.880 ( -1.421 0.061 -2.313) 2.715 1.927 ( 1.046 1.892 -1.190) 2.468 2.313 ( -0.020 -5.174 -2.731) 5.850 2.462 ( -1.329 -1.433 0.173) 1.962 2.842 ( -2.730 -0.175 -0.427) 2.769 3.268 ( -13.951 8.642 2.570) 16.610 4.249 ( -0.277 -27.110 7.035) 28.009 4.558 ( 5.929 -27.238 10.774) 29.886 5.199 ( 3.546 7.795 2.247) 8.854 5.723 ( 5.613 25.133 12.665) 28.698 6.207 ( -2.488 9.051 9.559) 13.397 6.627 ( -2.128 7.574 3.676) 8.683 7.372 ( 6.845 8.292 8.951) 13.991 7.460 ( -0.428 9.654 -1.456) 9.772 8.368 ( -4.553 -16.590 -14.464) 22.476 8.619 ( -4.941 -9.945 -24.517) 26.915 8.991 ( 2.163 -15.331 -6.569) 16.819 9.541 ( 1.064 15.053 -4.127) 15.644 10.428 ( 7.217 0.349 -0.035) 7.225 10.729 ( -6.384 5.221 2.417) 8.594 11.202 ( 0.863 -6.850 -4.353) 8.162 11.702 ( 0.430 3.332 1.330) 3.613 11.914 ( 11.422 -4.901 4.569) 13.243 12.345 ( -9.753 0.830 4.490) 10.769 14.218 ( -5.405 -6.073 13.516) 15.773 14.503 ( -0.818 5.853 8.871) 10.660 15.450 ( 19.080 5.768 -1.197) 19.969 16.249 ( -20.236 4.001 -0.727) 20.641 18.212 ( 14.866 0.908 -15.157) 21.250 18.769 ( -12.471 1.401 -11.123) 16.769 19.979 ( 19.913 -3.628 -1.730) 20.315 20.867 ( -20.150 -5.243 8.680) 22.557 23.630 ( 1.271 -1.931 0.993) 2.516 23.765 ( 0.321 1.800 0.292) 1.851 24.071 ( 1.343 -0.317 -1.093) 1.760 24.180 ( -3.455 1.073 -0.180) 3.622 24.915 ( 7.037 -0.803 -9.563) 11.900 25.201 ( -6.355 -0.588 -8.208) 10.397 26.486 ( 1.784 1.864 8.695) 9.070 26.519 ( 0.162 0.350 8.584) 8.593 ======================= Grid point 185 (76/144) ======================= q-point: (-0.50 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.000 -0.943 -3.658) 3.777 1.533 ( 0.000 0.985 -3.268) 3.413 1.866 ( 0.000 -1.080 -1.051) 1.507 1.936 ( 0.000 1.500 1.192) 1.916 2.341 ( 0.000 -4.663 -5.264) 7.032 2.444 ( 0.000 -0.716 -0.148) 0.731 2.844 ( 0.000 0.098 -0.125) 0.159 3.066 ( 0.000 10.712 -2.175) 10.930 4.246 ( 0.000 -27.760 7.083) 28.649 4.626 ( 0.000 -27.200 11.166) 29.403 5.235 ( 0.000 6.409 1.161) 6.513 5.785 ( 0.000 24.368 15.018) 28.624 6.190 ( 0.000 8.444 11.830) 14.535 6.585 ( 0.000 13.089 -3.280) 13.494 7.448 ( -0.000 8.460 9.810) 12.954 7.472 ( 0.000 5.058 5.879) 7.755 8.318 ( 0.000 -12.622 -13.836) 18.729 8.547 ( 0.000 -9.651 -28.051) 29.665 9.035 ( 0.000 -19.163 -7.762) 20.675 9.527 ( 0.000 11.789 -2.453) 12.042 10.567 ( 0.000 6.767 2.688) 7.282 10.619 ( -0.000 7.806 -2.710) 8.263 11.217 ( 0.000 -14.450 -1.036) 14.487 11.693 ( 0.000 8.998 -5.096) 10.341 12.122 ( 0.000 -4.154 7.786) 8.825 12.155 ( -0.000 -2.552 5.537) 6.096 14.164 ( 0.000 -7.840 14.551) 16.529 14.496 ( 0.000 6.463 9.365) 11.379 15.807 ( 0.000 3.657 -2.433) 4.392 15.876 ( -0.000 7.719 -2.194) 8.025 18.463 ( 0.000 -0.588 -11.869) 11.884 18.544 ( -0.000 3.005 -15.231) 15.525 20.326 ( 0.000 -9.126 6.154) 11.007 20.514 ( -0.000 -0.487 2.598) 2.643 23.644 ( 0.000 -2.761 0.811) 2.878 23.768 ( 0.000 2.711 0.670) 2.793 24.102 ( 0.000 -0.140 -0.861) 0.873 24.128 ( -0.000 1.039 -0.536) 1.169 25.044 ( -0.000 -1.567 -8.602) 8.743 25.079 ( 0.000 0.078 -9.060) 9.060 26.513 ( -0.000 1.050 8.810) 8.872 26.513 ( 0.000 1.050 8.423) 8.488 ======================= Grid point 189 (77/144) ======================= q-point: ( 0.00 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 0.098 2.296) 2.298 1.644 ( 0.000 0.499 0.445) 0.669 1.849 ( 0.000 -0.082 -4.561) 4.562 1.853 ( 0.000 0.579 -4.248) 4.288 2.390 ( 0.000 -5.246 -1.326) 5.411 2.538 ( 0.000 1.162 4.932) 5.067 3.072 ( 0.000 0.806 -0.671) 1.049 3.538 ( 0.000 -15.918 6.831) 17.321 4.224 ( 0.000 -15.955 3.179) 16.268 4.356 ( 0.000 -23.774 13.230) 27.208 5.271 ( 0.000 8.770 9.878) 13.210 5.835 ( 0.000 2.966 5.912) 6.614 6.409 ( 0.000 6.239 0.254) 6.244 6.677 ( 0.000 0.672 -1.555) 1.694 7.484 ( 0.000 6.653 -8.781) 11.017 7.534 ( 0.000 15.705 3.178) 16.023 8.088 ( 0.000 -11.765 -12.115) 16.888 8.246 ( 0.000 -3.304 -10.186) 10.709 8.898 ( 0.000 3.616 -4.869) 6.065 9.540 ( 0.000 17.183 3.311) 17.500 10.170 ( 0.000 -11.578 -0.473) 11.587 10.927 ( 0.000 1.759 -12.164) 12.291 11.424 ( 0.000 4.958 16.693) 17.413 11.504 ( 0.000 -9.883 7.803) 12.592 11.768 ( 0.000 -3.110 6.089) 6.837 12.655 ( 0.000 7.321 2.282) 7.669 14.644 ( 0.000 -0.756 7.003) 7.043 14.766 ( 0.000 7.190 10.547) 12.764 14.985 ( 0.000 -10.582 9.454) 14.190 16.873 ( 0.000 -1.298 5.396) 5.550 17.506 ( 0.000 10.528 -18.147) 20.980 19.030 ( 0.000 8.440 -25.169) 26.546 19.231 ( 0.000 -2.584 2.715) 3.748 21.384 ( 0.000 -9.424 2.726) 9.810 23.584 ( 0.000 -1.955 -1.169) 2.278 23.726 ( 0.000 0.259 -1.837) 1.855 23.985 ( 0.000 -1.768 -4.520) 4.853 24.278 ( 0.000 0.088 -0.973) 0.977 24.618 ( 0.000 2.957 -4.797) 5.635 25.214 ( 0.000 1.566 -7.356) 7.521 26.623 ( 0.000 1.690 10.218) 10.357 26.644 ( 0.000 -3.096 8.259) 8.820 ======================= Grid point 190 (78/144) ======================= q-point: ( 0.17 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.590 -0.513 1.851) 4.071 1.615 ( -2.651 0.959 -2.544) 3.797 1.844 ( -0.598 -0.145 -4.341) 4.385 1.862 ( 1.795 2.001 -2.474) 3.653 2.333 ( -5.745 -5.799 -0.632) 8.188 2.505 ( -2.750 0.209 2.952) 4.040 2.934 ( -8.348 -1.832 -0.468) 8.560 3.620 ( 0.379 -1.159 6.126) 6.246 4.120 ( -5.189 -22.587 3.479) 23.435 4.374 ( 0.520 -24.950 10.706) 27.155 5.301 ( 2.572 4.615 9.300) 10.696 5.941 ( 9.360 7.576 7.095) 13.977 6.399 ( -0.679 6.392 0.627) 6.458 6.662 ( -1.870 0.491 -3.929) 4.379 7.463 ( -0.747 3.071 -6.161) 6.925 7.612 ( 6.205 17.819 0.873) 18.888 8.020 ( -5.960 -9.088 -7.539) 13.227 8.219 ( -1.039 -5.083 -12.050) 13.119 8.894 ( -2.200 -0.904 -3.022) 3.845 9.595 ( 4.437 18.709 0.125) 19.228 10.224 ( 6.235 -9.678 0.210) 11.514 10.881 ( -4.290 0.375 -8.268) 9.322 11.263 ( -9.594 4.595 8.725) 13.758 11.669 ( 11.436 -8.331 9.481) 17.032 11.822 ( 3.316 -1.134 5.801) 6.778 12.608 ( -4.589 4.621 5.169) 8.315 14.560 ( -7.194 -3.585 11.952) 14.403 14.712 ( -1.689 0.762 11.086) 11.240 15.175 ( 14.402 -0.679 3.765) 14.902 16.672 ( -17.035 2.576 2.039) 17.349 17.673 ( 13.686 7.422 -15.678) 22.095 18.815 ( -13.626 5.415 -17.219) 22.616 19.500 ( 19.008 -0.743 -4.000) 19.439 21.251 ( -13.116 -8.920 2.429) 16.047 23.592 ( 0.777 -2.171 -1.040) 2.530 23.741 ( 1.336 0.432 -1.623) 2.146 23.987 ( 0.408 -1.590 -4.721) 4.998 24.240 ( -3.414 0.315 -1.527) 3.753 24.670 ( 4.846 2.600 -4.850) 7.333 25.175 ( -3.804 1.701 -7.139) 8.266 26.636 ( 1.153 1.210 10.000) 10.139 26.651 ( 0.626 -2.824 8.326) 8.814 ======================= Grid point 191 (79/144) ======================= q-point: ( 0.33 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 5.495 -0.869 -0.159) 5.565 1.555 ( -3.290 2.107 -4.700) 6.112 1.827 ( -0.426 0.220 -2.382) 2.430 1.947 ( 5.442 3.920 -1.174) 6.809 2.209 ( -4.487 -4.862 -1.848) 6.869 2.451 ( -2.589 -1.166 0.086) 2.841 2.836 ( -1.653 -0.790 -0.209) 1.844 3.410 ( -17.598 11.353 2.227) 21.061 4.118 ( 2.085 -26.128 7.283) 27.204 4.396 ( 2.254 -28.841 4.785) 29.322 5.348 ( 1.844 -0.929 9.704) 9.921 6.133 ( 8.489 12.593 9.592) 17.962 6.394 ( 0.553 8.549 -1.628) 8.720 6.585 ( -6.068 2.151 -7.202) 9.660 7.490 ( 4.416 -1.684 -2.780) 5.484 7.770 ( 9.497 15.178 -0.584) 17.914 7.886 ( -7.124 -9.126 -6.614) 13.333 8.185 ( -4.710 1.635 -10.619) 11.731 8.836 ( -1.350 -10.022 2.077) 10.323 9.645 ( -0.349 17.193 -3.420) 17.533 10.409 ( 11.134 -2.427 -1.306) 11.470 10.785 ( -5.492 2.059 -2.261) 6.286 11.126 ( -3.107 0.807 1.874) 3.717 11.766 ( -3.183 3.817 1.563) 5.210 11.987 ( 14.328 -7.485 9.645) 18.824 12.479 ( -8.536 -1.594 10.846) 13.894 14.438 ( -4.461 -7.503 17.872) 19.890 14.695 ( -0.380 -0.295 9.653) 9.664 15.491 ( 17.519 5.320 -0.666) 18.321 16.288 ( -20.908 6.346 -0.627) 21.859 17.967 ( 15.441 5.320 -15.069) 22.222 18.546 ( -13.760 4.875 -16.189) 21.799 19.918 ( 23.150 -3.096 -2.007) 23.442 20.896 ( -21.953 -7.349 1.256) 23.184 23.609 ( 0.766 -2.682 -0.743) 2.887 23.769 ( 1.250 0.854 -1.261) 1.970 24.008 ( 1.825 -1.127 -4.878) 5.329 24.161 ( -4.284 0.366 -2.608) 5.029 24.790 ( 6.863 2.138 -5.319) 8.942 25.074 ( -6.166 2.023 -6.569) 9.234 26.659 ( 0.952 -0.191 9.333) 9.384 26.665 ( 0.709 -1.823 8.701) 8.919 ======================= Grid point 192 (80/144) ======================= q-point: (-0.50 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.000 -0.354 -1.961) 1.992 1.500 ( 0.000 2.773 -3.714) 4.635 1.830 ( -0.000 -0.365 -1.239) 1.291 1.988 ( 0.000 2.544 2.324) 3.446 2.204 ( 0.000 -0.979 -5.523) 5.609 2.415 ( -0.000 -1.434 -1.606) 2.153 2.841 ( 0.000 -0.432 -0.700) 0.823 3.169 ( 0.000 13.075 0.604) 13.089 4.137 ( 0.000 -24.487 9.989) 26.446 4.430 ( 0.000 -30.454 0.884) 30.467 5.367 ( 0.000 -2.958 10.403) 10.815 6.223 ( 0.000 12.223 11.845) 17.021 6.453 ( -0.000 12.084 4.033) 12.739 6.455 ( 0.000 3.656 -16.595) 16.993 7.586 ( 0.000 -6.190 -2.085) 6.532 7.754 ( -0.000 -4.080 -0.026) 4.080 7.996 ( -0.000 1.794 -16.468) 16.565 8.015 ( 0.000 13.241 -0.438) 13.248 8.844 ( 0.000 -14.101 4.409) 14.775 9.622 ( 0.000 15.208 -3.357) 15.574 10.588 ( 0.000 5.279 -7.624) 9.273 10.667 ( 0.000 3.012 0.860) 3.133 11.121 ( 0.000 -6.148 3.857) 7.258 11.706 ( 0.000 8.957 -3.423) 9.589 12.247 ( 0.000 -5.967 9.089) 10.873 12.286 ( -0.000 -6.626 15.566) 16.917 14.393 ( 0.000 -8.799 19.904) 21.763 14.691 ( 0.000 -0.554 9.245) 9.262 15.820 ( 0.000 5.914 -1.367) 6.070 15.922 ( -0.000 9.094 -2.286) 9.377 18.251 ( 0.000 4.174 -13.365) 14.002 18.281 ( -0.000 5.348 -17.845) 18.629 20.332 ( 0.000 -7.655 3.341) 8.353 20.490 ( -0.000 -3.286 -3.373) 4.709 23.617 ( 0.000 -2.986 -0.569) 3.040 23.782 ( 0.000 1.105 -1.191) 1.625 24.046 ( -0.000 -0.917 -4.532) 4.624 24.098 ( 0.000 0.355 -3.432) 3.450 24.908 ( -0.000 1.201 -6.248) 6.362 24.962 ( 0.000 2.956 -5.633) 6.362 26.668 ( 0.000 -1.115 8.862) 8.931 26.673 ( 0.000 -1.094 9.032) 9.098 ======================= Grid point 196 (81/144) ======================= q-point: ( 0.00 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 -2.183 1.940) 2.921 1.573 ( 0.000 -3.409 -6.526) 7.363 1.772 ( 0.000 -1.580 -3.723) 4.044 1.794 ( 0.000 2.934 -3.821) 4.817 2.293 ( 0.000 -7.748 -1.837) 7.963 2.632 ( 0.000 -0.263 4.091) 4.100 3.080 ( 0.000 3.243 0.125) 3.245 3.424 ( 0.000 -22.000 2.759) 22.173 4.076 ( 0.000 -19.666 -0.113) 19.667 4.406 ( 0.000 -19.053 15.049) 24.279 5.571 ( 0.000 7.765 14.388) 16.350 5.802 ( 0.000 -11.367 -1.973) 11.537 6.403 ( 0.000 -18.442 -15.667) 24.198 6.621 ( 0.000 11.894 7.529) 14.076 7.269 ( 0.000 -20.790 -10.950) 23.497 7.364 ( 0.000 3.267 -11.130) 11.600 8.213 ( 0.000 21.644 3.389) 21.908 8.307 ( 0.000 25.494 1.967) 25.570 8.856 ( 0.000 8.973 -5.084) 10.313 9.783 ( 0.000 16.508 3.619) 16.900 10.109 ( 0.000 -11.619 7.179) 13.658 10.720 ( 0.000 5.139 -13.753) 14.681 11.566 ( 0.000 -9.808 9.312) 13.524 11.786 ( 0.000 3.492 18.546) 18.872 11.817 ( 0.000 -3.559 3.000) 4.654 12.803 ( 0.000 7.963 5.782) 9.841 14.692 ( 0.000 -3.476 1.934) 3.978 14.930 ( 0.000 -20.254 1.730) 20.328 15.143 ( 0.000 4.623 22.925) 23.386 16.938 ( 0.000 -4.300 4.615) 6.308 17.384 ( 0.000 19.879 -12.124) 23.285 18.703 ( 0.000 15.258 -24.277) 28.674 19.219 ( 0.000 -3.440 -0.642) 3.500 21.239 ( 0.000 -7.963 -8.627) 11.740 23.503 ( 0.000 -4.467 -4.272) 6.181 23.699 ( 0.000 0.566 -1.665) 1.759 23.885 ( 0.000 -1.625 -4.264) 4.563 24.248 ( 0.000 -0.984 -1.632) 1.906 24.602 ( 0.000 2.345 -0.814) 2.483 25.123 ( 0.000 4.218 -5.846) 7.209 26.732 ( 0.000 -6.320 6.588) 9.129 26.833 ( 0.000 1.694 11.578) 11.701 ======================= Grid point 197 (82/144) ======================= q-point: ( 0.17 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.499 -2.917 1.014) 3.433 1.497 ( -5.116 -1.619 -9.342) 10.773 1.795 ( 2.202 0.001 -2.668) 3.459 1.838 ( 3.856 2.853 -1.710) 5.093 2.243 ( -4.580 -7.290 -1.837) 8.803 2.564 ( -5.720 -0.431 3.027) 6.486 2.925 ( -8.321 -1.279 1.621) 8.573 3.619 ( 11.269 -11.646 0.303) 16.209 3.968 ( -9.882 -16.429 1.956) 19.272 4.366 ( -3.934 -21.050 13.643) 25.392 5.507 ( -2.978 0.028 9.583) 10.035 5.975 ( 12.938 -6.554 0.311) 14.507 6.343 ( -4.389 -14.103 -13.032) 19.698 6.631 ( -0.705 7.617 3.099) 8.253 7.187 ( -4.105 -17.212 -11.774) 21.254 7.431 ( 3.232 -1.923 -10.729) 11.370 8.242 ( -0.748 24.780 5.137) 25.318 8.307 ( 4.480 23.627 5.612) 24.694 8.852 ( -1.207 5.635 -3.182) 6.583 9.772 ( -1.532 15.014 -0.241) 15.094 10.180 ( 7.228 -8.579 5.623) 12.548 10.721 ( 0.437 4.629 -10.512) 11.494 11.477 ( -12.232 2.389 9.972) 15.962 11.766 ( 9.472 -9.252 9.114) 16.074 11.918 ( 1.902 1.247 6.178) 6.583 12.786 ( -2.220 3.306 10.153) 10.906 14.667 ( -1.533 -5.676 5.297) 7.914 14.898 ( -2.451 -13.222 10.234) 16.899 15.267 ( 11.097 1.991 11.504) 16.108 16.732 ( -17.110 2.137 1.681) 17.325 17.541 ( 12.228 13.697 -10.618) 21.210 18.560 ( -11.272 11.838 -19.810) 25.683 19.424 ( 17.405 -1.085 -4.158) 17.928 21.112 ( -12.552 -7.573 -8.257) 16.825 23.519 ( 1.504 -4.259 -3.595) 5.773 23.713 ( 1.303 0.216 -1.718) 2.167 23.881 ( -0.151 -1.623 -4.870) 5.135 24.203 ( -4.202 -1.099 -2.020) 4.790 24.648 ( 4.304 2.859 -1.367) 5.345 25.092 ( -3.066 4.453 -5.460) 7.684 26.743 ( 1.108 -5.977 6.780) 9.106 26.834 ( 0.006 0.873 11.043) 11.077 ======================= Grid point 198 (83/144) ======================= q-point: ( 0.33 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 3.664 -1.388 -5.010) 6.360 1.451 ( -0.446 1.065 -6.089) 6.198 1.832 ( 1.448 1.535 1.133) 2.395 1.967 ( 8.957 5.749 -0.723) 10.668 2.152 ( -3.717 -3.299 -1.052) 5.080 2.449 ( -5.696 -0.935 0.999) 5.858 2.821 ( -2.401 -2.858 0.941) 3.850 3.563 ( -16.496 11.960 1.332) 20.419 3.937 ( 8.424 -27.275 1.649) 28.594 4.259 ( -6.633 -23.052 9.520) 25.808 5.485 ( 0.235 -6.653 8.194) 10.558 6.157 ( 0.526 -4.807 -12.399) 13.309 6.311 ( 5.281 -7.845 -2.371) 9.749 6.578 ( -4.000 0.428 -0.404) 4.043 7.172 ( 2.418 -18.218 -10.782) 21.308 7.459 ( -0.168 -2.820 -11.520) 11.861 8.198 ( -2.372 27.883 6.109) 28.643 8.434 ( 4.536 24.620 10.754) 27.246 8.836 ( 1.616 -1.721 4.354) 4.953 9.717 ( -3.887 12.053 -5.314) 13.734 10.356 ( 9.385 -1.298 -1.718) 9.629 10.728 ( -1.339 2.756 -3.885) 4.949 11.267 ( -5.892 5.723 7.804) 11.330 11.821 ( -5.729 4.991 -0.367) 7.607 12.088 ( 16.355 -9.421 10.558) 21.626 12.685 ( -8.515 -4.743 15.018) 17.904 14.659 ( 0.715 -8.569 14.123) 16.535 14.848 ( -2.428 -8.471 12.011) 14.897 15.544 ( 16.717 4.186 2.772) 17.454 16.344 ( -21.251 5.990 -0.268) 22.080 17.799 ( 13.557 10.230 -11.882) 20.728 18.322 ( -12.544 9.675 -16.262) 22.703 19.830 ( 23.019 -1.579 -5.568) 23.735 20.770 ( -21.370 -6.200 -7.454) 23.466 23.552 ( 1.525 -3.835 -2.012) 4.592 23.738 ( 0.869 -0.764 -2.155) 2.446 23.896 ( 2.055 -1.383 -5.670) 6.187 24.102 ( -5.538 -1.112 -3.298) 6.541 24.753 ( 5.913 3.707 -2.456) 7.399 25.010 ( -4.998 4.889 -4.491) 8.310 26.772 ( 1.709 -4.935 7.384) 9.044 26.828 ( -0.688 -1.095 9.780) 9.865 ======================= Grid point 199 (84/144) ======================= q-point: (-0.50 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 2.829 -8.913) 9.352 1.414 ( -0.000 -0.392 -0.243) 0.462 1.849 ( -0.000 1.687 2.367) 2.907 2.083 ( 0.000 3.910 5.225) 6.526 2.130 ( 0.000 4.637 -5.573) 7.250 2.370 ( -0.000 -2.270 -1.021) 2.489 2.810 ( 0.000 -3.956 0.260) 3.964 3.336 ( 0.000 14.996 1.872) 15.113 4.107 ( 0.000 -19.043 9.885) 21.456 4.116 ( -0.000 -29.930 -1.458) 29.965 5.492 ( 0.000 -9.442 8.673) 12.821 6.120 ( 0.000 -2.512 -18.994) 19.159 6.431 ( 0.000 -7.487 6.484) 9.905 6.502 ( -0.000 -2.560 -5.774) 6.316 7.218 ( 0.000 -16.299 -9.659) 18.946 7.449 ( 0.000 -5.791 -12.854) 14.098 8.169 ( 0.000 28.217 5.763) 28.800 8.461 ( 0.000 25.945 12.770) 28.918 8.885 ( 0.000 -4.269 9.925) 10.804 9.662 ( 0.000 11.372 -7.606) 13.681 10.489 ( 0.000 4.640 -7.609) 8.913 10.666 ( 0.000 0.296 -0.478) 0.563 11.243 ( 0.000 4.323 8.939) 9.929 11.733 ( 0.000 8.412 -3.515) 9.117 12.357 ( -0.000 -7.927 10.845) 13.434 12.502 ( 0.000 -9.884 16.428) 19.173 14.673 ( 0.000 -10.674 21.255) 23.785 14.819 ( 0.000 -6.408 8.903) 10.970 15.875 ( -0.000 6.468 0.644) 6.500 15.965 ( 0.000 6.593 -1.453) 6.751 18.047 ( 0.000 9.498 -15.855) 18.482 18.086 ( -0.000 8.909 -11.982) 14.931 20.283 ( 0.000 -4.219 -2.470) 4.889 20.331 ( -0.000 -3.574 -10.331) 10.932 23.569 ( -0.000 -3.632 -1.058) 3.783 23.745 ( 0.000 -1.290 -2.895) 3.170 23.943 ( 0.000 -1.495 -5.064) 5.280 24.021 ( -0.000 -0.783 -4.622) 4.688 24.845 ( -0.000 3.740 -3.658) 5.232 24.928 ( 0.000 5.424 -3.300) 6.350 26.802 ( 0.000 -3.242 8.370) 8.976 26.809 ( -0.000 -3.237 8.475) 9.072 ======================= Grid point 203 (85/144) ======================= q-point: ( 0.00 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 -6.614 -3.897) 7.677 1.333 ( 0.000 -6.915 -13.829) 15.461 1.703 ( 0.000 -5.304 0.039) 5.304 1.795 ( 0.000 5.120 -0.372) 5.134 2.180 ( 0.000 -9.942 -1.198) 10.014 2.653 ( 0.000 -4.214 0.551) 4.250 3.151 ( 0.000 7.147 1.702) 7.347 3.235 ( 0.000 -24.328 2.105) 24.418 3.845 ( 0.000 -23.794 -1.054) 23.817 4.484 ( 0.000 -16.694 12.846) 21.064 5.591 ( 0.000 -16.416 -6.224) 17.557 5.813 ( 0.000 -21.109 -5.430) 21.797 5.986 ( 0.000 0.786 5.971) 6.023 6.617 ( 0.000 -19.119 -1.663) 19.191 7.198 ( 0.000 9.812 -13.546) 16.726 7.224 ( 0.000 10.021 10.210) 14.306 8.336 ( 0.000 7.849 -5.970) 9.862 8.654 ( 0.000 30.965 2.726) 31.084 8.961 ( 0.000 23.486 -1.629) 23.542 9.937 ( 0.000 2.974 3.024) 4.242 10.218 ( 0.000 -0.112 10.246) 10.247 10.569 ( 0.000 10.030 -10.822) 14.755 11.617 ( 0.000 -10.373 6.670) 12.332 11.827 ( 0.000 -2.904 2.865) 4.080 12.132 ( 0.000 3.189 15.969) 16.284 13.012 ( 0.000 8.708 8.285) 12.020 14.646 ( 0.000 -7.671 -0.803) 7.713 14.684 ( 0.000 -24.268 -3.183) 24.476 15.633 ( 0.000 3.050 26.197) 26.374 16.941 ( 0.000 -7.339 2.204) 7.663 17.448 ( 0.000 23.782 -5.781) 24.475 18.467 ( 0.000 18.755 -21.197) 28.302 19.149 ( 0.000 -3.490 -2.948) 4.568 20.955 ( 0.000 -3.704 -15.500) 15.936 23.355 ( 0.000 -6.925 -5.549) 8.874 23.677 ( 0.000 0.360 -1.345) 1.392 23.808 ( 0.000 -0.776 -3.068) 3.165 24.209 ( 0.000 -1.612 -1.211) 2.016 24.610 ( 0.000 -0.295 -0.052) 0.299 25.091 ( 0.000 6.842 -3.912) 7.882 26.750 ( 0.000 -9.654 4.245) 10.546 27.072 ( 0.000 2.776 12.714) 13.014 ======================= Grid point 204 (86/144) ======================= q-point: ( 0.17 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.509 -6.449 -10.418) 13.434 1.353 ( 2.808 -4.551 -2.898) 6.082 1.680 ( 2.900 -2.194 -7.926) 8.720 1.908 ( 7.894 4.247 4.197) 9.898 2.141 ( -3.119 -8.373 -0.408) 8.945 2.588 ( -5.397 -2.861 1.105) 6.208 2.956 ( -9.454 -1.532 2.364) 9.865 3.441 ( 10.529 -18.462 -1.548) 21.309 3.858 ( -0.987 -12.889 1.322) 12.994 4.417 ( -6.783 -17.679 12.528) 22.705 5.513 ( -5.557 -12.782 -4.163) 14.546 5.810 ( -1.258 -23.669 -12.861) 26.967 6.066 ( 7.005 -1.933 7.152) 10.196 6.580 ( -4.267 -17.918 -1.089) 18.452 6.982 ( -8.151 3.430 -5.838) 10.597 7.390 ( 4.452 11.550 1.213) 12.438 8.449 ( 10.513 7.734 -2.945) 13.380 8.660 ( 0.559 30.797 3.552) 31.006 8.964 ( 0.553 22.408 0.268) 22.417 9.866 ( -6.450 3.547 1.249) 7.466 10.249 ( 2.980 0.935 4.982) 5.880 10.642 ( 6.594 9.753 -5.626) 13.048 11.654 ( -9.498 -0.073 8.604) 12.816 11.778 ( 9.247 -8.988 3.047) 13.250 12.082 ( -4.587 3.590 8.286) 10.128 13.021 ( -1.369 1.704 12.792) 12.977 14.642 ( 2.724 -7.648 -0.829) 8.161 14.785 ( 6.860 -21.229 0.762) 22.323 15.643 ( 1.539 3.411 23.101) 23.402 16.756 ( -16.159 -1.551 0.433) 16.239 17.559 ( 9.014 17.945 -5.254) 20.757 18.361 ( -8.782 15.309 -17.472) 24.835 19.325 ( 15.548 -0.502 -5.771) 16.592 20.838 ( -11.465 -3.758 -15.061) 19.297 23.388 ( 3.148 -6.525 -4.754) 8.665 23.687 ( 0.837 -0.103 -1.202) 1.468 23.792 ( -1.156 -0.944 -3.536) 3.838 24.153 ( -5.228 -2.596 -1.481) 6.022 24.658 ( 4.448 1.893 -0.639) 4.876 25.068 ( -2.242 7.173 -3.631) 8.347 26.770 ( 1.962 -9.229 4.545) 10.473 27.047 ( -2.422 1.174 11.583) 11.892 ======================= Grid point 205 (87/144) ======================= q-point: ( 0.33 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 7.917 0.207 -8.475) 11.599 1.420 ( 2.583 -3.140 2.093) 4.573 1.803 ( 7.572 1.111 -7.408) 10.651 2.056 ( 0.685 3.560 -0.118) 3.627 2.121 ( 7.559 -0.251 5.423) 9.306 2.467 ( -6.815 -0.824 1.705) 7.073 2.821 ( -3.598 -2.092 1.919) 4.583 3.599 ( 1.355 -6.828 -5.463) 8.849 3.765 ( -3.443 -9.758 5.864) 11.894 4.235 ( -10.690 -18.703 9.351) 23.485 5.434 ( -2.153 -14.495 -3.856) 15.153 5.761 ( -3.424 -16.913 -17.121) 24.308 6.196 ( 5.329 -11.629 1.827) 12.922 6.458 ( -6.740 -15.593 -0.357) 16.991 6.965 ( 6.102 -2.606 -2.979) 7.273 7.378 ( -5.087 7.620 -1.818) 9.341 8.591 ( 0.295 26.118 4.578) 26.517 8.744 ( 8.254 11.870 2.959) 14.757 9.012 ( 5.615 20.411 5.688) 21.920 9.713 ( -8.560 5.498 -3.356) 10.713 10.344 ( 6.875 3.762 -0.437) 7.849 10.744 ( 0.721 7.818 -0.441) 7.863 11.462 ( -4.616 5.815 6.621) 9.948 11.864 ( -7.127 6.234 -0.307) 9.474 12.161 ( 16.957 -10.510 8.149) 21.550 12.890 ( -12.049 -7.793 14.010) 20.055 14.755 ( 7.547 -6.884 5.711) 11.703 14.898 ( 3.336 -18.065 7.273) 19.758 15.730 ( 8.372 4.341 13.098) 16.139 16.382 ( -20.539 2.692 -0.395) 20.719 17.753 ( 10.203 13.810 -6.734) 18.443 18.173 ( -9.836 12.612 -12.675) 20.407 19.691 ( 20.667 0.578 -8.922) 22.518 20.530 ( -18.975 -2.977 -13.468) 23.458 23.464 ( 4.100 -5.463 -2.467) 7.262 23.687 ( -1.278 -2.167 -1.502) 2.930 23.794 ( 2.100 -0.777 -4.332) 4.876 24.027 ( -6.891 -2.939 -2.872) 8.023 24.764 ( 5.832 5.039 -1.349) 7.825 25.005 ( -4.013 7.616 -3.055) 9.134 26.824 ( 3.467 -7.906 5.441) 10.204 26.983 ( -3.887 -2.281 9.193) 10.239 ======================= Grid point 206 (88/144) ======================= q-point: (-0.50 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 0.849 -4.409) 4.490 1.430 ( 0.000 -1.421 3.302) 3.595 1.901 ( -0.000 1.967 -0.056) 1.967 2.029 ( 0.000 0.966 -8.652) 8.706 2.278 ( 0.000 7.945 7.844) 11.165 2.352 ( -0.000 -1.271 1.594) 2.038 2.807 ( -0.000 -1.956 4.075) 4.520 3.492 ( -0.000 17.075 -4.189) 17.581 3.836 ( -0.000 -29.078 4.791) 29.470 4.081 ( -0.000 -15.805 5.597) 16.766 5.418 ( -0.000 -16.740 -3.852) 17.177 5.714 ( 0.000 -11.933 -18.448) 21.971 6.264 ( 0.000 -17.874 -3.230) 18.164 6.370 ( 0.000 -15.707 2.231) 15.865 7.100 ( 0.000 1.039 1.647) 1.947 7.265 ( -0.000 1.073 -6.333) 6.423 8.579 ( 0.000 29.041 6.306) 29.718 8.823 ( 0.000 13.202 4.470) 13.938 9.123 ( 0.000 14.452 10.896) 18.099 9.595 ( 0.000 7.180 -8.267) 10.949 10.458 ( 0.000 6.876 -1.279) 6.993 10.691 ( 0.000 5.018 -0.048) 5.018 11.468 ( 0.000 8.625 8.063) 11.807 11.744 ( -0.000 7.396 -3.822) 8.325 12.470 ( -0.000 -8.927 10.787) 14.002 12.639 ( 0.000 -13.396 11.093) 17.392 14.873 ( 0.000 -11.516 6.702) 13.325 14.897 ( -0.000 -12.497 15.130) 19.624 15.966 ( -0.000 4.968 3.283) 5.955 16.020 ( 0.000 3.889 2.477) 4.611 17.919 ( 0.000 12.674 -10.581) 16.511 18.011 ( -0.000 11.878 -7.922) 14.277 20.077 ( 0.000 -1.624 -14.006) 14.100 20.159 ( -0.000 -0.418 -8.690) 8.700 23.516 ( -0.000 -4.383 -0.185) 4.387 23.663 ( 0.000 -3.590 -3.079) 4.730 23.847 ( 0.000 -1.803 -3.733) 4.145 23.926 ( -0.000 -1.847 -4.428) 4.798 24.849 ( -0.000 6.483 -1.584) 6.674 24.939 ( 0.000 7.566 -2.783) 8.062 26.897 ( 0.000 -5.606 6.957) 8.935 26.906 ( -0.000 -5.551 7.004) 8.937 ======================= Grid point 210 (89/144) ======================= q-point: ( 0.00 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 -11.531 -7.139) 13.563 1.016 ( 0.000 -12.311 -8.731) 15.093 1.661 ( 0.000 -7.292 1.774) 7.505 1.853 ( 0.000 2.736 1.153) 2.969 2.033 ( 0.000 -14.226 -2.524) 14.448 2.582 ( 0.000 -7.664 -1.051) 7.736 3.022 ( 0.000 -23.865 0.791) 23.878 3.262 ( 0.000 9.349 1.285) 9.437 3.593 ( 0.000 -24.036 -0.130) 24.036 4.519 ( 0.000 -15.857 8.659) 18.067 5.280 ( 0.000 -18.446 -7.645) 19.968 5.332 ( 0.000 -30.178 -8.992) 31.489 6.278 ( 0.000 3.438 12.654) 13.113 6.432 ( 0.000 -18.558 2.252) 18.694 7.114 ( 0.000 20.620 -11.074) 23.406 7.537 ( 0.000 13.318 8.538) 15.820 8.248 ( 0.000 1.617 -6.816) 7.006 8.962 ( 0.000 24.072 0.630) 24.080 9.189 ( 0.000 27.044 -1.812) 27.105 9.990 ( 0.000 -4.591 4.141) 6.183 10.394 ( 0.000 6.783 4.638) 8.217 10.545 ( 0.000 13.662 -5.072) 14.573 11.581 ( 0.000 -10.472 1.239) 10.545 11.882 ( 0.000 -2.759 5.526) 6.176 12.397 ( 0.000 3.484 9.386) 10.012 13.265 ( 0.000 11.276 8.724) 14.257 14.386 ( 0.000 -23.181 -2.877) 23.359 14.527 ( 0.000 -10.509 -1.830) 10.667 16.061 ( 0.000 0.225 17.375) 17.376 16.893 ( 0.000 -6.337 1.052) 6.424 17.614 ( 0.000 22.626 -2.072) 22.721 18.301 ( 0.000 14.616 -16.201) 21.820 19.064 ( 0.000 -2.819 -2.545) 3.798 20.668 ( 0.000 0.518 -13.036) 13.046 23.187 ( 0.000 -8.707 -4.001) 9.583 23.659 ( 0.000 0.112 -0.843) 0.850 23.760 ( 0.000 0.192 -1.946) 1.956 24.177 ( 0.000 -1.741 -0.513) 1.815 24.580 ( 0.000 -3.097 -1.519) 3.450 25.118 ( 0.000 9.206 -1.948) 9.409 26.694 ( 0.000 -12.685 1.855) 12.820 27.334 ( 0.000 5.341 11.581) 12.754 ======================= Grid point 211 (90/144) ======================= q-point: ( 0.17 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.321 -8.793 -1.764) 8.974 1.204 ( 12.303 -8.625 -7.468) 16.779 1.526 ( -3.357 -3.824 -4.820) 7.009 1.964 ( 5.934 -10.571 1.110) 12.173 2.123 ( 7.964 4.188 3.541) 9.670 2.537 ( -3.519 -7.665 -1.045) 8.499 2.936 ( -7.466 -9.256 0.683) 11.912 3.267 ( 4.159 -10.949 -0.300) 11.716 3.758 ( 9.088 -10.423 0.719) 13.847 4.435 ( -8.835 -16.997 7.969) 20.748 5.191 ( -5.226 -22.621 -9.186) 24.968 5.346 ( -1.240 -23.568 -9.046) 25.275 6.235 ( -3.945 -4.456 8.763) 10.592 6.451 ( 0.491 -12.038 5.026) 13.054 6.938 ( -9.966 14.334 -7.685) 19.075 7.587 ( -0.879 12.168 4.457) 12.988 8.401 ( 14.759 2.621 -5.394) 15.930 8.982 ( 1.059 23.718 1.232) 23.774 9.220 ( 3.389 26.925 -0.096) 27.138 9.919 ( -6.289 -0.269 3.372) 7.141 10.345 ( -1.044 7.478 1.153) 7.638 10.705 ( 11.237 13.075 -0.938) 17.266 11.704 ( 3.789 -8.604 -0.094) 9.402 11.792 ( -0.163 -3.381 7.123) 7.886 12.250 ( -11.590 6.083 4.723) 13.915 13.250 ( -5.259 0.289 10.757) 11.977 14.488 ( 10.565 -13.545 -3.314) 17.495 14.615 ( 7.951 -15.393 1.123) 17.362 16.032 ( -2.426 0.155 15.375) 15.566 16.733 ( -14.346 -2.696 0.605) 14.609 17.685 ( 6.079 18.765 -1.702) 19.798 18.229 ( -5.823 12.196 -12.660) 18.518 19.228 ( 14.397 0.807 -4.573) 15.127 20.552 ( -11.103 -0.544 -12.958) 17.073 23.240 ( 5.052 -7.779 -3.263) 9.832 23.669 ( 0.871 -0.167 -0.590) 1.066 23.738 ( -1.927 -0.111 -1.958) 2.749 24.098 ( -6.996 -4.278 -0.976) 8.259 24.657 ( 6.692 1.869 -1.404) 7.089 25.103 ( -1.573 9.804 -1.829) 10.097 26.723 ( 2.914 -12.321 2.112) 12.836 27.258 ( -6.978 1.707 9.724) 12.090 ======================= Grid point 212 (91/144) ======================= q-point: ( 0.33 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 15.403 -0.374 5.557) 16.379 1.424 ( 7.606 -6.111 2.322) 10.030 1.608 ( 10.514 -0.692 -13.219) 16.904 1.999 ( -3.068 -8.117 -0.381) 8.686 2.329 ( 10.148 11.153 6.964) 16.609 2.471 ( -2.929 -3.895 0.566) 4.906 2.851 ( 2.172 0.153 2.399) 3.240 3.398 ( 7.233 -13.612 -2.132) 15.561 3.810 ( -3.525 -0.113 1.745) 3.935 4.185 ( -14.900 -18.501 4.778) 24.231 5.119 ( -2.160 -21.471 -7.551) 22.863 5.292 ( -3.202 -20.375 -12.686) 24.214 6.159 ( -2.936 -11.165 5.586) 12.825 6.360 ( -8.106 -5.340 0.829) 9.742 6.935 ( 9.278 2.181 -1.067) 9.591 7.457 ( -11.164 6.197 1.360) 12.841 8.717 ( 14.158 5.035 -2.807) 15.287 8.976 ( -1.635 19.025 1.962) 19.196 9.330 ( 7.937 26.254 2.888) 27.579 9.766 ( -9.172 9.602 2.056) 13.437 10.411 ( 7.941 7.080 1.128) 10.699 10.846 ( -0.353 11.823 0.570) 11.842 11.584 ( -1.813 2.979 1.865) 3.954 11.955 ( -8.227 8.844 2.081) 12.256 12.157 ( 16.498 -11.848 3.490) 20.609 13.007 ( -18.236 -10.538 8.620) 22.757 14.724 ( 10.141 -13.331 0.736) 16.766 14.802 ( 10.041 -15.740 3.483) 18.992 16.003 ( 0.834 2.018 10.519) 10.743 16.407 ( -17.093 2.573 1.726) 17.371 17.818 ( 6.884 14.327 -2.134) 16.038 18.108 ( -6.170 10.866 -8.005) 14.840 19.555 ( 17.719 2.808 -7.095) 19.292 20.271 ( -16.404 -0.693 -12.064) 20.374 23.368 ( 7.429 -6.258 -1.419) 9.817 23.652 ( -3.658 -2.082 -0.040) 4.210 23.728 ( 1.933 -0.360 -2.414) 3.113 23.942 ( -7.956 -4.799 -2.361) 9.586 24.804 ( 7.560 7.584 -1.017) 10.757 25.052 ( -3.727 10.645 -1.738) 11.412 26.806 ( 5.459 -11.102 2.870) 12.699 27.096 ( -8.689 -4.394 6.527) 11.722 ======================= Grid point 213 (92/144) ======================= q-point: (-0.50 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.000 -2.456 6.587) 7.030 1.489 ( 0.000 -3.968 4.672) 6.130 1.844 ( 0.000 -3.254 -9.450) 9.995 1.857 ( -0.000 -1.684 -4.888) 5.170 2.408 ( 0.000 2.064 3.659) 4.201 2.446 ( 0.000 3.871 3.114) 4.968 2.974 ( 0.000 7.135 11.830) 13.815 3.437 ( -0.000 2.698 -10.801) 11.133 3.783 ( -0.000 -12.045 8.931) 14.994 3.971 ( 0.000 -15.536 -0.767) 15.555 5.098 ( -0.000 -20.800 -6.664) 21.841 5.256 ( 0.000 -18.682 -14.456) 23.622 6.132 ( -0.000 -12.624 4.602) 13.436 6.263 ( 0.000 -7.985 -0.917) 8.037 7.180 ( 0.000 3.661 2.441) 4.400 7.203 ( -0.000 -1.040 -1.098) 1.513 8.884 ( -0.000 16.629 0.789) 16.648 8.934 ( 0.000 6.334 -0.872) 6.393 9.486 ( 0.000 23.359 7.277) 24.466 9.602 ( -0.000 15.430 -1.368) 15.490 10.575 ( 0.000 8.823 4.679) 9.987 10.739 ( -0.000 8.200 -2.402) 8.545 11.674 ( -0.000 9.943 4.166) 10.780 11.757 ( 0.000 7.517 -2.632) 7.965 12.544 ( -0.000 -10.959 7.698) 13.392 12.627 ( 0.000 -15.781 4.121) 16.310 14.828 ( -0.000 -16.807 4.319) 17.353 14.920 ( -0.000 -16.467 3.034) 16.744 16.098 ( 0.000 5.284 5.687) 7.763 16.134 ( -0.000 4.742 4.719) 6.690 17.919 ( 0.000 12.228 -3.342) 12.676 18.015 ( -0.000 11.266 -5.405) 12.495 19.858 ( 0.000 0.969 -8.372) 8.428 19.980 ( 0.000 1.576 -11.213) 11.323 23.485 ( 0.000 -4.487 1.782) 4.827 23.575 ( 0.000 -4.592 -2.323) 5.146 23.777 ( 0.000 -2.088 -1.769) 2.737 23.830 ( -0.000 -2.389 -3.801) 4.490 24.917 ( -0.000 10.034 0.199) 10.036 24.977 ( 0.000 10.457 -2.734) 10.809 26.930 ( 0.000 -8.673 4.362) 9.708 26.938 ( -0.000 -8.670 4.092) 9.588 ======================= Grid point 217 (93/144) ======================= q-point: ( 0.00 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 -15.870 -0.000) 15.870 0.813 ( 0.000 -15.761 -0.000) 15.761 1.568 ( 0.000 -18.880 -0.000) 18.880 1.851 ( 0.000 -6.090 -0.000) 6.090 1.855 ( 0.000 -11.186 -0.000) 11.186 2.494 ( 0.000 -7.561 -0.000) 7.561 2.818 ( 0.000 -16.580 -0.000) 16.580 3.371 ( 0.000 9.408 0.000) 9.408 3.373 ( 0.000 -20.502 -0.000) 20.502 4.464 ( 0.000 -11.615 -0.000) 11.615 4.958 ( 0.000 -28.643 -0.000) 28.643 5.021 ( 0.000 -16.892 -0.000) 16.892 6.292 ( 0.000 -15.471 -0.000) 15.471 6.408 ( 0.000 -0.254 -0.000) 0.254 7.260 ( 0.000 28.290 0.000) 28.290 7.736 ( 0.000 10.767 0.000) 10.767 8.184 ( 0.000 0.171 0.000) 0.171 9.133 ( 0.000 8.343 0.000) 8.343 9.435 ( 0.000 26.723 0.000) 26.723 9.998 ( 0.000 -0.423 -0.000) 0.423 10.508 ( 0.000 8.052 0.000) 8.052 10.640 ( 0.000 13.353 0.000) 13.353 11.482 ( 0.000 -10.528 -0.000) 10.528 11.913 ( 0.000 -3.243 -0.000) 3.243 12.518 ( 0.000 3.313 0.000) 3.313 13.499 ( 0.000 13.797 0.000) 13.797 14.145 ( 0.000 -20.137 -0.000) 20.137 14.400 ( 0.000 -10.635 -0.000) 10.635 16.199 ( 0.000 -2.212 -0.000) 2.212 16.868 ( 0.000 -3.287 -0.000) 3.287 17.804 ( 0.000 19.503 0.000) 19.503 18.222 ( 0.000 6.334 0.000) 6.334 19.016 ( 0.000 -2.262 -0.000) 2.262 20.560 ( 0.000 2.451 0.000) 2.451 23.060 ( 0.000 -8.883 -0.000) 8.883 23.651 ( 0.000 -0.005 -0.000) 0.005 23.744 ( 0.000 0.430 0.000) 0.430 24.155 ( 0.000 -1.654 -0.000) 1.654 24.513 ( 0.000 -4.443 -0.000) 4.443 25.202 ( 0.000 11.218 0.000) 11.218 26.572 ( 0.000 -14.807 -0.000) 14.807 27.533 ( 0.000 8.040 0.000) 8.040 ======================= Grid point 218 (94/144) ======================= q-point: ( 0.17 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 14.433 -8.206 -0.000) 16.603 0.965 ( 13.505 -11.663 -0.000) 17.844 1.431 ( -5.578 -6.960 -0.000) 8.919 1.805 ( 8.524 -18.232 -0.000) 20.126 2.217 ( 16.752 -0.128 -0.000) 16.753 2.433 ( -2.885 -6.797 -0.000) 7.384 2.835 ( -1.162 -9.245 -0.000) 9.318 3.203 ( -0.633 -4.140 -0.000) 4.189 3.697 ( 13.927 -2.883 -0.000) 14.223 4.354 ( -11.755 -13.773 -0.000) 18.107 4.848 ( -4.296 -24.994 -0.000) 25.361 5.061 ( -1.220 -18.574 -0.000) 18.614 6.215 ( -5.477 -11.089 -0.000) 12.368 6.458 ( 2.374 -3.423 -0.000) 4.166 7.043 ( -14.492 20.561 0.000) 25.155 7.733 ( -5.842 8.836 0.000) 10.592 8.370 ( 17.554 2.997 0.000) 17.808 9.148 ( 0.107 7.301 0.000) 7.302 9.488 ( 5.260 27.387 0.000) 27.888 9.985 ( -0.794 7.312 0.000) 7.355 10.439 ( -2.100 9.467 0.000) 9.697 10.837 ( 13.370 14.240 0.000) 19.533 11.596 ( 7.435 -11.483 -0.000) 13.679 11.830 ( -3.563 -3.696 -0.000) 5.133 12.359 ( -12.909 6.855 0.000) 14.616 13.353 ( -14.566 -2.273 -0.000) 14.743 14.305 ( 12.538 -17.520 -0.000) 21.544 14.512 ( 10.333 -8.875 -0.000) 13.621 16.141 ( -4.343 -2.484 -0.000) 5.003 16.739 ( -11.291 -0.748 -0.000) 11.315 17.848 ( 3.916 17.026 0.000) 17.470 18.183 ( -3.150 6.331 0.000) 7.072 19.200 ( 15.426 2.493 0.000) 15.626 20.423 ( -12.255 -0.580 -0.000) 12.268 23.137 ( 6.894 -6.674 -0.000) 9.595 23.663 ( 1.011 -0.132 -0.000) 1.020 23.721 ( -2.217 0.218 0.000) 2.227 24.034 ( -9.105 -6.156 -0.000) 10.990 24.667 ( 11.675 5.152 0.000) 12.761 25.196 ( -0.801 12.261 0.000) 12.287 26.606 ( 3.421 -14.760 -0.000) 15.152 27.374 ( -13.536 -0.140 -0.000) 13.536 ======================= Grid point 219 (95/144) ======================= q-point: ( 0.33 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 12.931 -8.424 -0.000) 15.433 1.343 ( 23.746 -0.998 -0.000) 23.767 1.420 ( 1.701 -6.354 -0.000) 6.578 1.906 ( -1.679 -9.491 -0.000) 9.638 2.401 ( 3.918 -9.397 -0.000) 10.181 2.521 ( 4.764 12.206 0.000) 13.102 2.874 ( 12.725 -2.415 -0.000) 12.952 3.301 ( 7.792 -2.846 -0.000) 8.296 3.829 ( -1.328 3.019 0.000) 3.298 4.036 ( -17.785 -17.594 -0.000) 25.017 4.830 ( 1.679 -21.721 -0.000) 21.786 4.983 ( -5.363 -17.768 -0.000) 18.560 6.130 ( -2.270 -6.789 -0.000) 7.159 6.364 ( -11.750 3.749 0.000) 12.334 6.952 ( 7.076 2.648 0.000) 7.555 7.513 ( -14.885 1.987 0.000) 15.017 8.725 ( 16.013 4.189 0.000) 16.552 9.105 ( -4.505 5.408 0.000) 7.039 9.627 ( 8.560 27.404 0.000) 28.710 9.950 ( -4.185 19.952 0.000) 20.387 10.497 ( 8.931 8.025 0.000) 12.007 10.981 ( -3.193 12.924 0.000) 13.312 11.608 ( 3.199 0.763 0.000) 3.289 12.048 ( 18.409 -14.519 -0.000) 23.446 12.090 ( -12.321 11.453 0.000) 16.822 12.971 ( -22.856 -12.854 -0.000) 26.222 14.542 ( 10.953 -21.995 -0.000) 24.571 14.705 ( 6.305 -13.711 -0.000) 15.092 16.102 ( 1.940 2.442 0.000) 3.118 16.484 ( -13.669 4.568 0.000) 14.413 17.938 ( 4.866 12.981 0.000) 13.863 18.113 ( -3.841 7.611 0.000) 8.525 19.524 ( 16.445 4.264 0.000) 16.989 20.143 ( -15.240 -1.505 -0.000) 15.314 23.300 ( 9.243 -4.893 -0.000) 10.458 23.637 ( -5.341 -1.694 -0.000) 5.603 23.703 ( 1.725 -0.242 -0.000) 1.742 23.861 ( -7.533 -5.581 -0.000) 9.375 24.889 ( 10.175 12.550 0.000) 16.157 25.158 ( -3.401 14.026 0.000) 14.432 26.706 ( 6.655 -14.335 -0.000) 15.805 27.097 ( -13.327 -9.201 -0.000) 16.195 ======================= Grid point 220 (96/144) ======================= q-point: (-0.50 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.650 -8.125 0.000) 8.150 1.410 ( 0.650 -8.125 0.000) 8.150 1.735 ( -12.906 -5.069 0.000) 13.866 1.735 ( 12.906 -5.069 0.000) 13.866 2.489 ( -3.133 3.616 0.000) 4.784 2.489 ( 3.133 3.616 0.000) 4.784 3.260 ( -8.944 1.092 0.000) 9.010 3.260 ( 8.944 1.092 0.000) 9.010 3.792 ( -4.106 -7.219 0.000) 8.306 3.792 ( 4.106 -7.219 0.000) 8.306 4.887 ( -0.965 -18.321 0.000) 18.346 4.887 ( 0.965 -18.321 0.000) 18.346 6.162 ( -2.067 -0.792 0.000) 2.214 6.162 ( 2.067 -0.792 0.000) 2.214 7.200 ( -14.668 -1.839 0.000) 14.782 7.200 ( 14.668 -1.839 0.000) 14.782 8.971 ( -9.241 4.680 0.000) 10.359 8.971 ( 9.241 4.680 0.000) 10.359 9.809 ( -8.644 25.151 0.000) 26.595 9.809 ( 8.644 25.151 0.000) 26.595 10.756 ( -10.764 8.731 0.000) 13.859 10.756 ( 10.764 8.731 0.000) 13.859 11.806 ( -13.548 8.631 0.000) 16.064 11.806 ( 13.548 8.631 0.000) 16.064 12.499 ( -24.103 -14.762 -0.000) 28.265 12.499 ( 24.103 -14.762 -0.000) 28.265 14.711 ( -2.246 -21.412 -0.000) 21.529 14.711 ( 2.246 -21.412 -0.000) 21.529 16.234 ( -10.246 6.856 0.000) 12.329 16.234 ( 10.246 6.856 0.000) 12.329 18.031 ( -1.865 9.788 0.000) 9.965 18.031 ( 1.865 9.788 0.000) 9.965 19.838 ( -11.734 1.440 0.000) 11.822 19.838 ( 11.734 1.440 0.000) 11.822 23.487 ( -6.995 -4.043 0.000) 8.080 23.487 ( 6.995 -4.043 0.000) 8.080 23.755 ( -2.106 -1.961 0.000) 2.878 23.755 ( 2.106 -1.961 0.000) 2.878 25.057 ( -5.242 14.601 0.000) 15.514 25.057 ( 5.242 14.601 0.000) 15.514 26.868 ( -9.859 -12.953 -0.000) 16.278 26.868 ( 9.859 -12.953 -0.000) 16.278 ======================= Grid point 252 (97/144) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 -0.000 0.590) 0.590 1.488 ( 0.000 -0.000 9.405) 9.405 1.944 ( 0.000 0.000 -5.475) 5.475 1.973 ( 0.000 0.000 -6.548) 6.548 2.364 ( 0.000 -0.000 7.443) 7.443 2.550 ( 0.000 0.000 -2.944) 2.944 3.061 ( 0.000 0.000 -0.233) 0.233 3.513 ( 0.000 -0.000 18.308) 18.308 4.603 ( 0.000 -0.000 22.807) 22.807 4.744 ( 0.000 0.000 -5.624) 5.624 5.012 ( 0.000 -0.000 16.160) 16.160 5.023 ( 0.000 -0.000 2.726) 2.726 6.389 ( 0.000 -0.000 11.243) 11.243 6.663 ( 0.000 -0.000 23.841) 23.841 6.747 ( 0.000 0.000 -13.406) 13.406 7.575 ( 0.000 0.000 -15.065) 15.065 8.830 ( 0.000 -0.000 0.338) 0.338 8.884 ( 0.000 0.000 -25.685) 25.685 8.931 ( 0.000 -0.000 2.028) 2.028 9.101 ( 0.000 0.000 -21.391) 21.391 10.497 ( 0.000 0.000 -10.420) 10.420 11.000 ( 0.000 -0.000 15.662) 15.662 11.056 ( 0.000 0.000 -3.440) 3.440 11.639 ( 0.000 -0.000 6.299) 6.299 11.699 ( 0.000 -0.000 1.036) 1.036 12.502 ( 0.000 0.000 -1.888) 1.888 14.360 ( 0.000 -0.000 12.354) 12.354 14.650 ( 0.000 0.000 -3.685) 3.685 14.839 ( 0.000 -0.000 17.694) 17.694 16.777 ( 0.000 -0.000 5.876) 5.876 17.778 ( 0.000 0.000 -23.135) 23.135 19.182 ( 0.000 -0.000 6.742) 6.742 19.400 ( 0.000 0.000 -26.085) 26.085 21.394 ( 0.000 -0.000 13.944) 13.944 23.592 ( 0.000 -0.000 2.044) 2.044 23.752 ( 0.000 0.000 -0.918) 0.918 24.062 ( 0.000 0.000 -0.509) 0.509 24.268 ( 0.000 -0.000 0.884) 0.884 24.748 ( 0.000 0.000 -13.609) 13.609 25.352 ( 0.000 0.000 -8.501) 8.501 26.400 ( 0.000 -0.000 10.030) 10.030 26.508 ( 0.000 -0.000 10.042) 10.042 ======================= Grid point 253 (98/144) ======================= q-point: ( 0.17 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 6.072 0.000 -0.585) 6.101 1.521 ( 2.968 -0.000 6.318) 6.980 1.914 ( -2.466 0.000 -4.348) 4.999 1.943 ( -2.603 0.000 -6.016) 6.555 2.365 ( 0.018 -0.000 5.042) 5.042 2.524 ( -2.163 0.000 -1.635) 2.711 2.973 ( -7.442 0.000 -1.374) 7.568 3.432 ( -8.895 -0.000 12.137) 15.048 4.648 ( 4.221 -0.000 21.218) 21.634 4.823 ( 5.139 0.000 -2.818) 5.861 5.039 ( 4.177 -0.000 14.864) 15.440 5.051 ( 3.264 -0.000 4.611) 5.650 6.253 ( -8.268 -0.000 6.702) 10.643 6.632 ( -3.346 -0.000 21.836) 22.091 6.964 ( 16.273 0.000 -7.168) 17.782 7.491 ( -6.989 0.000 -10.557) 12.661 8.741 ( -9.046 0.000 -16.053) 18.426 8.798 ( -2.396 0.000 -9.686) 9.978 9.071 ( 8.681 0.000 -6.744) 10.992 9.194 ( 6.291 0.000 -15.280) 16.525 10.427 ( -3.703 0.000 -5.020) 6.238 10.876 ( -10.513 -0.000 10.482) 14.845 11.145 ( 6.697 0.000 -7.029) 9.709 11.678 ( 2.043 -0.000 6.964) 7.258 11.781 ( 7.964 -0.000 2.708) 8.412 12.452 ( -4.788 -0.000 0.171) 4.791 14.350 ( -0.845 -0.000 12.870) 12.897 14.509 ( -8.183 -0.000 7.303) 10.968 15.051 ( 15.386 -0.000 5.563) 16.361 16.593 ( -16.518 -0.000 2.226) 16.668 17.922 ( 12.572 0.000 -19.996) 23.620 18.998 ( -12.142 0.000 -6.899) 13.965 19.634 ( 17.214 0.000 -11.023) 20.441 21.265 ( -12.635 -0.000 12.836) 18.011 23.611 ( 1.827 -0.000 1.894) 2.632 23.751 ( -0.228 0.000 -0.499) 0.549 24.063 ( 0.238 0.000 -0.629) 0.673 24.234 ( -3.030 -0.000 0.495) 3.070 24.801 ( 5.004 0.000 -12.807) 13.750 25.312 ( -3.898 0.000 -8.762) 9.590 26.421 ( 1.942 -0.000 10.029) 10.216 26.512 ( 0.269 -0.000 9.964) 9.968 ======================= Grid point 254 (99/144) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 7.322 0.000 -2.917) 7.881 1.565 ( 0.096 0.000 -0.531) 0.540 1.888 ( 0.507 0.000 -0.875) 1.012 1.900 ( -1.160 0.000 -3.775) 3.949 2.372 ( 1.240 0.000 -0.768) 1.459 2.481 ( -2.232 0.000 -0.634) 2.320 2.846 ( -3.529 0.000 -2.168) 4.142 3.171 ( -16.066 -0.000 2.102) 16.203 4.738 ( 4.237 -0.000 16.071) 16.620 4.854 ( -1.283 -0.000 6.586) 6.710 5.153 ( 6.354 -0.000 8.407) 10.538 5.184 ( 7.643 -0.000 9.445) 12.150 6.164 ( 0.407 -0.000 5.343) 5.358 6.507 ( -9.784 -0.000 13.708) 16.841 7.267 ( 12.445 0.000 -1.116) 12.495 7.390 ( -1.649 0.000 -0.228) 1.664 8.571 ( -6.641 0.000 -16.284) 17.586 8.705 ( -7.705 0.000 -17.946) 19.530 9.240 ( 7.596 0.000 -6.888) 10.254 9.295 ( 3.985 0.000 -11.438) 12.112 10.422 ( 2.704 -0.000 0.493) 2.748 10.661 ( -10.081 -0.000 3.574) 10.696 11.289 ( 8.487 0.000 -8.537) 12.037 11.653 ( -5.340 -0.000 2.573) 5.928 11.977 ( 10.806 -0.000 5.784) 12.256 12.331 ( -7.100 -0.000 5.197) 8.799 14.334 ( -0.596 -0.000 13.741) 13.754 14.385 ( -4.245 -0.000 11.830) 12.569 15.387 ( 18.570 0.000 -0.840) 18.588 16.205 ( -21.554 0.000 -1.709) 21.622 18.204 ( 15.009 0.000 -16.874) 22.584 18.755 ( -12.708 0.000 -11.957) 17.449 20.019 ( 21.654 0.000 -2.404) 21.787 20.924 ( -21.154 -0.000 9.607) 23.233 23.657 ( 2.612 -0.000 1.536) 3.031 23.739 ( -1.102 -0.000 0.373) 1.163 24.075 ( 1.104 0.000 -0.715) 1.315 24.167 ( -3.371 -0.000 0.029) 3.371 24.925 ( 7.148 0.000 -11.524) 13.561 25.208 ( -6.363 0.000 -9.451) 11.394 26.465 ( 2.240 -0.000 9.989) 10.237 26.514 ( -0.172 -0.000 9.864) 9.865 ======================= Grid point 255 (100/144) ======================= q-point: (-0.50 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -4.383 0.000 -3.972) 5.915 1.514 ( 4.383 0.000 -3.972) 5.915 1.899 ( -0.019 0.000 -0.258) 0.259 1.899 ( 0.019 0.000 -0.258) 0.259 2.426 ( -1.791 0.000 -2.433) 3.021 2.426 ( 1.791 0.000 -2.433) 3.021 2.895 ( -5.835 0.000 -2.328) 6.282 2.895 ( 5.835 0.000 -2.328) 6.282 4.809 ( -0.176 0.000 11.230) 11.231 4.809 ( 0.176 0.000 11.230) 11.231 5.247 ( -0.052 0.000 9.811) 9.811 5.247 ( 0.052 0.000 9.811) 9.811 6.284 ( -3.826 0.000 6.236) 7.316 6.284 ( 3.826 0.000 6.236) 7.316 7.395 ( -0.147 0.000 4.584) 4.586 7.395 ( 0.147 0.000 4.584) 4.586 8.551 ( -1.516 0.000 -19.073) 19.134 8.551 ( 1.516 0.000 -19.073) 19.134 9.332 ( -0.060 0.000 -8.793) 8.793 9.332 ( 0.060 0.000 -8.793) 8.793 10.505 ( -4.808 0.000 1.147) 4.943 10.505 ( 4.808 0.000 1.147) 4.943 11.484 ( -4.197 0.000 -4.512) 6.162 11.484 ( 4.197 0.000 -4.512) 6.162 12.175 ( -8.812 -0.000 7.700) 11.703 12.175 ( 8.812 -0.000 7.700) 11.703 14.336 ( -0.059 0.000 13.680) 13.680 14.336 ( 0.059 0.000 13.680) 13.680 15.779 ( -20.903 0.000 -3.056) 21.125 15.779 ( 20.903 0.000 -3.056) 21.125 18.492 ( -13.408 0.000 -14.682) 19.883 18.492 ( 13.408 0.000 -14.682) 19.883 20.472 ( -21.945 0.000 4.428) 22.388 20.472 ( 21.945 0.000 4.428) 22.388 23.706 ( -0.694 0.000 1.072) 1.277 23.706 ( 0.694 0.000 1.072) 1.277 24.109 ( -2.065 0.000 -0.421) 2.107 24.109 ( 2.065 0.000 -0.421) 2.107 25.071 ( -7.177 0.000 -10.397) 12.634 25.071 ( 7.177 0.000 -10.397) 12.634 26.500 ( -1.273 -0.000 9.894) 9.975 26.500 ( 1.273 -0.000 9.894) 9.975 ======================= Grid point 259 (101/144) ======================= q-point: ( 0.00 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 0.060 3.225) 3.226 1.617 ( 0.000 1.257 3.411) 3.635 1.849 ( 0.000 -0.031 -5.228) 5.228 1.859 ( 0.000 -0.455 -5.112) 5.132 2.474 ( 0.000 -2.692 3.144) 4.139 2.520 ( 0.000 0.587 2.113) 2.193 3.044 ( 0.000 1.259 -2.408) 2.717 3.767 ( 0.000 -6.116 12.600) 14.006 4.559 ( 0.000 -15.630 0.654) 15.643 4.909 ( 0.000 -29.787 13.101) 32.540 5.062 ( 0.000 11.134 15.525) 19.105 5.522 ( 0.000 25.034 13.982) 28.674 6.477 ( 0.000 -8.605 -8.005) 11.753 6.588 ( 0.000 4.606 7.115) 8.476 7.123 ( 0.000 16.874 14.937) 22.536 7.324 ( 0.000 5.749 -14.955) 16.022 8.392 ( 0.000 -11.248 -21.273) 24.063 8.567 ( 0.000 -22.329 -15.725) 27.310 8.819 ( 0.000 3.837 -5.071) 6.359 9.128 ( 0.000 22.328 -1.350) 22.368 10.363 ( 0.000 -5.977 -0.866) 6.040 10.907 ( 0.000 0.432 -12.530) 12.538 11.334 ( 0.000 3.077 18.967) 19.215 11.703 ( 0.000 -7.986 7.384) 10.877 11.814 ( 0.000 -1.313 8.509) 8.609 12.481 ( 0.000 7.660 -3.427) 8.392 14.642 ( 0.000 -0.141 9.315) 9.316 14.672 ( 0.000 2.860 13.390) 13.692 15.136 ( 0.000 -4.148 16.649) 17.158 16.880 ( 0.000 0.083 5.672) 5.672 17.359 ( 0.000 3.977 -24.832) 25.149 18.923 ( 0.000 2.566 -27.990) 28.107 19.265 ( 0.000 -0.859 2.928) 3.051 21.523 ( 0.000 -3.934 1.749) 4.306 23.611 ( 0.000 -0.752 0.444) 0.873 23.722 ( 0.000 0.136 -2.428) 2.432 24.015 ( 0.000 -1.000 -3.972) 4.096 24.273 ( 0.000 0.236 -0.428) 0.489 24.578 ( 0.000 1.082 -5.081) 5.195 25.198 ( 0.000 0.255 -8.420) 8.424 26.589 ( 0.000 1.165 10.207) 10.273 26.684 ( 0.000 -0.957 9.691) 9.738 ======================= Grid point 260 (102/144) ======================= q-point: ( 0.17 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 4.385 -0.202 2.548) 5.075 1.590 ( -2.626 1.064 -0.177) 2.839 1.841 ( -0.833 0.109 -3.887) 3.977 1.845 ( -0.377 0.257 -4.103) 4.129 2.433 ( -4.318 -3.356 2.821) 6.154 2.504 ( -1.490 0.081 0.710) 1.653 2.943 ( -7.825 0.360 -2.089) 8.107 3.617 ( -15.281 0.443 8.291) 17.391 4.608 ( 4.412 -22.923 2.206) 23.448 4.921 ( 1.710 -25.769 10.410) 27.845 5.140 ( 6.187 8.670 16.263) 19.440 5.566 ( 4.607 26.758 14.133) 30.609 6.328 ( -7.454 2.336 -0.111) 7.812 6.745 ( 3.980 -11.900 0.887) 12.580 7.111 ( 2.751 23.579 3.566) 24.006 7.360 ( 3.974 4.801 -2.411) 6.683 8.336 ( -5.437 -11.155 -19.471) 23.089 8.467 ( -6.605 -14.614 -16.422) 22.954 8.921 ( 6.103 -3.533 -5.957) 9.231 9.189 ( 5.570 20.445 -2.830) 21.378 10.369 ( 1.707 -4.014 0.465) 4.387 10.932 ( 0.207 -4.937 -8.634) 9.948 11.130 ( -13.046 7.317 8.661) 17.285 11.790 ( 1.818 -1.952 6.841) 7.343 11.890 ( 8.720 -5.314 10.130) 14.383 12.492 ( 0.941 5.307 2.389) 5.896 14.610 ( -2.600 -2.181 11.171) 11.675 14.667 ( -0.307 2.903 15.092) 15.372 15.210 ( 7.241 -1.668 11.248) 13.481 16.614 ( -20.713 2.162 -1.073) 20.853 17.578 ( 16.160 2.312 -18.578) 24.731 18.742 ( -12.782 1.855 -20.656) 24.362 19.518 ( 19.854 -0.647 -3.274) 20.132 21.383 ( -13.844 -3.737 1.511) 14.419 23.626 ( 1.413 -1.056 0.320) 1.793 23.731 ( 0.740 0.431 -1.901) 2.085 24.015 ( 0.087 -0.903 -4.137) 4.235 24.231 ( -3.671 0.419 -0.917) 3.807 24.637 ( 5.360 0.822 -5.333) 7.606 25.158 ( -3.968 0.299 -8.267) 9.175 26.609 ( 1.806 0.974 10.160) 10.365 26.687 ( 0.250 -0.852 9.673) 9.713 ======================= Grid point 261 (103/144) ======================= q-point: ( 0.33 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 5.089 -0.489 0.358) 5.125 1.525 ( -3.521 0.816 -4.598) 5.848 1.829 ( 0.675 -0.526 -2.833) 2.959 1.880 ( 3.328 2.394 -1.963) 4.546 2.325 ( -4.972 -5.104 -1.196) 7.225 2.463 ( -2.825 0.211 -0.947) 2.987 2.829 ( -2.532 0.812 -0.439) 2.695 3.228 ( -21.247 5.569 1.500) 22.016 4.677 ( 1.794 -28.246 7.447) 29.266 4.989 ( 4.409 -22.537 2.441) 23.094 5.246 ( 3.963 6.040 18.430) 19.795 5.698 ( 7.688 28.673 14.126) 32.875 6.237 ( -1.099 4.444 0.952) 4.676 6.603 ( -14.045 -2.483 -3.026) 14.580 7.325 ( 14.681 10.891 0.480) 18.286 7.480 ( 7.421 5.952 9.103) 13.167 8.202 ( -7.146 -10.477 -17.669) 21.749 8.311 ( -9.731 -8.008 -20.051) 23.682 9.030 ( 5.546 -10.158 -4.291) 12.343 9.298 ( 4.183 16.559 -4.438) 17.647 10.433 ( 3.921 -0.578 -0.157) 3.967 10.744 ( -13.440 1.850 3.323) 13.968 11.127 ( 8.984 -0.652 -6.733) 11.246 11.695 ( -9.897 2.398 0.671) 10.205 12.127 ( 13.310 -4.950 12.391) 18.847 12.487 ( -2.625 0.514 11.604) 11.909 14.566 ( -1.467 -5.514 16.517) 17.475 14.662 ( -0.138 3.300 15.064) 15.422 15.413 ( 13.457 2.092 2.458) 13.839 16.173 ( -22.999 3.799 -3.576) 23.583 17.902 ( 16.193 1.533 -16.983) 23.516 18.483 ( -13.453 1.544 -18.189) 22.676 19.969 ( 25.364 -1.543 -3.010) 25.589 21.005 ( -23.535 -3.133 0.587) 23.749 23.660 ( 1.760 -2.086 0.091) 2.731 23.743 ( 0.291 1.451 -0.812) 1.688 24.027 ( 1.357 -0.632 -4.221) 4.479 24.150 ( -4.159 0.467 -1.991) 4.635 24.765 ( 7.253 0.521 -6.161) 9.531 25.052 ( -6.443 0.407 -7.813) 10.135 26.649 ( 1.992 0.495 10.021) 10.229 26.690 ( -0.066 -0.539 9.692) 9.707 ======================= Grid point 262 (104/144) ======================= q-point: (-0.50 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 -0.562 -2.562) 2.622 1.463 ( 0.000 1.175 -3.522) 3.713 1.855 ( -0.000 -2.275 -1.765) 2.879 1.918 ( 0.000 3.874 -0.856) 3.968 2.297 ( 0.000 -6.889 -5.011) 8.519 2.407 ( -0.000 3.015 -2.688) 4.040 2.848 ( 0.000 -1.308 0.305) 1.343 2.939 ( -0.000 8.709 -0.520) 8.724 4.690 ( 0.000 -29.145 9.384) 30.619 5.040 ( 0.000 -19.396 -1.427) 19.449 5.287 ( 0.000 2.656 20.310) 20.483 5.791 ( 0.000 29.566 14.865) 33.093 6.299 ( 0.000 0.740 3.134) 3.220 6.364 ( -0.000 4.838 -8.202) 9.523 7.516 ( 0.000 3.601 5.633) 6.686 7.573 ( 0.000 9.775 11.919) 15.414 8.124 ( 0.000 -9.711 -18.911) 21.258 8.163 ( -0.000 -6.906 -23.136) 24.145 9.103 ( 0.000 -11.668 -3.322) 12.132 9.334 ( 0.000 12.985 -4.733) 13.821 10.511 ( -0.000 1.342 -3.017) 3.302 10.559 ( 0.000 5.622 1.681) 5.868 11.301 ( 0.000 -10.794 -2.329) 11.043 11.514 ( 0.000 10.423 -3.825) 11.102 12.351 ( 0.000 -3.904 12.522) 13.117 12.376 ( -0.000 -1.802 15.436) 15.541 14.553 ( 0.000 -7.102 19.251) 20.519 14.661 ( 0.000 3.617 14.793) 15.229 15.727 ( 0.000 2.320 -2.824) 3.655 15.760 ( -0.000 5.758 -2.783) 6.395 18.202 ( 0.000 0.910 -16.402) 16.427 18.212 ( -0.000 1.908 -18.102) 18.202 20.466 ( 0.000 -5.278 0.133) 5.279 20.523 ( -0.000 0.406 -2.257) 2.293 23.681 ( 0.000 -3.357 -0.031) 3.357 23.743 ( 0.000 2.719 -0.295) 2.735 24.065 ( -0.000 -0.984 -3.587) 3.719 24.084 ( 0.000 0.929 -3.146) 3.280 24.904 ( -0.000 -0.481 -7.194) 7.210 24.922 ( 0.000 1.359 -6.978) 7.109 26.678 ( -0.000 -0.170 9.801) 9.802 26.681 ( 0.000 0.045 9.857) 9.857 ======================= Grid point 266 (105/144) ======================= q-point: ( 0.00 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.000 -1.097 4.655) 4.782 1.611 ( 0.000 -0.619 -4.648) 4.689 1.757 ( 0.000 0.996 -5.470) 5.560 1.797 ( 0.000 -1.005 -1.281) 1.628 2.430 ( 0.000 -5.970 -0.556) 5.996 2.622 ( 0.000 1.331 5.273) 5.439 3.008 ( 0.000 3.477 -3.753) 5.116 3.824 ( 0.000 -16.546 6.787) 17.884 4.437 ( 0.000 -15.367 2.260) 15.532 4.891 ( 0.000 -28.384 16.603) 32.884 5.415 ( 0.000 6.599 15.007) 16.394 5.919 ( 0.000 5.842 7.869) 9.800 6.369 ( 0.000 5.896 2.367) 6.353 6.613 ( 0.000 -4.669 -6.959) 8.380 7.228 ( 0.000 14.553 -7.589) 16.413 7.470 ( 0.000 8.034 4.345) 9.134 7.979 ( 0.000 -5.258 -9.781) 11.104 8.130 ( 0.000 -10.464 -11.572) 15.601 8.733 ( 0.000 4.857 -8.773) 10.028 9.357 ( 0.000 23.491 0.998) 23.513 10.346 ( 0.000 -9.580 7.262) 12.021 10.654 ( 0.000 1.684 -15.961) 16.049 11.711 ( 0.000 3.445 19.033) 19.342 11.761 ( 0.000 -8.569 8.180) 11.846 11.900 ( 0.000 -5.997 4.654) 7.591 12.564 ( 0.000 15.085 0.100) 15.085 14.726 ( 0.000 -0.943 4.760) 4.853 15.100 ( 0.000 0.680 27.167) 27.176 15.296 ( 0.000 -15.464 10.559) 18.725 16.980 ( 0.000 -0.461 5.418) 5.437 17.031 ( 0.000 14.753 -20.267) 25.068 18.477 ( 0.000 7.518 -26.808) 27.843 19.268 ( 0.000 -1.606 -1.135) 1.967 21.374 ( 0.000 -5.220 -12.537) 13.581 23.581 ( 0.000 -3.271 -2.056) 3.863 23.683 ( 0.000 1.065 -2.184) 2.430 23.918 ( 0.000 -1.429 -5.036) 5.235 24.258 ( 0.000 -0.134 -1.184) 1.192 24.581 ( 0.000 0.268 3.500) 3.510 25.069 ( 0.000 1.459 -6.720) 6.876 26.783 ( 0.000 2.581 9.533) 9.876 26.824 ( 0.000 -3.009 7.935) 8.487 ======================= Grid point 267 (106/144) ======================= q-point: ( 0.17 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.777 -1.475 3.988) 5.079 1.519 ( -7.103 -0.547 -7.490) 10.337 1.787 ( 1.890 0.602 -3.412) 3.947 1.804 ( 1.096 0.700 -0.696) 1.475 2.386 ( -4.882 -6.942 -0.645) 8.511 2.562 ( -5.257 0.957 3.542) 6.411 2.913 ( -6.446 1.808 -2.109) 7.019 3.729 ( -13.250 -2.019 4.798) 14.236 4.412 ( 1.322 -23.669 2.103) 23.799 4.875 ( -2.103 -28.363 14.580) 31.960 5.472 ( 4.953 2.836 14.140) 15.249 5.991 ( 6.516 10.459 8.159) 14.779 6.354 ( -2.018 7.619 2.308) 8.212 6.581 ( -3.451 -8.040 -8.203) 11.994 7.254 ( 3.785 14.654 -5.527) 16.113 7.528 ( 4.873 3.456 1.379) 6.131 7.955 ( -2.609 -3.360 -6.928) 8.130 8.085 ( -2.901 -5.715 -9.789) 11.700 8.794 ( 4.736 1.479 -7.630) 9.101 9.378 ( 1.784 22.038 -0.508) 22.115 10.352 ( 1.061 -6.116 2.712) 6.773 10.706 ( 4.686 -3.109 -10.105) 11.564 11.376 ( -19.424 6.649 9.823) 22.760 11.875 ( -2.727 -0.365 3.161) 4.191 12.000 ( 11.937 -10.212 11.355) 19.383 12.657 ( 7.075 9.067 7.565) 13.766 14.721 ( 0.111 -1.041 4.743) 4.857 15.062 ( -3.221 -2.945 25.211) 25.586 15.357 ( 5.506 -9.385 10.671) 15.240 16.609 ( -21.417 8.513 -4.513) 23.485 17.349 ( 16.336 5.850 -10.899) 20.491 18.377 ( -8.730 6.294 -23.185) 25.562 19.449 ( 16.694 -1.134 -4.130) 17.234 21.241 ( -13.205 -4.995 -11.863) 18.440 23.595 ( 1.319 -3.241 -1.663) 3.874 23.701 ( 1.670 1.008 -2.000) 2.794 23.914 ( -0.211 -1.428 -5.355) 5.546 24.214 ( -4.111 -0.166 -1.001) 4.235 24.620 ( 3.661 0.504 1.733) 4.082 25.035 ( -3.357 1.568 -6.315) 7.321 26.798 ( 1.324 2.030 9.388) 9.696 26.829 ( 0.478 -2.731 8.000) 8.467 ======================= Grid point 268 (107/144) ======================= q-point: ( 0.33 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.251 -2.299 -4.527) 5.083 1.430 ( -0.896 1.220 -3.047) 3.402 1.809 ( 1.147 0.596 0.271) 1.321 1.869 ( 5.075 3.863 -2.062) 6.703 2.251 ( -7.275 -6.551 -0.310) 9.795 2.459 ( -4.966 0.510 0.084) 4.993 2.833 ( -1.202 1.168 -0.429) 1.730 3.332 ( -22.694 9.641 1.309) 24.692 4.508 ( 6.454 -28.376 4.350) 29.424 4.812 ( -3.896 -29.610 8.497) 31.051 5.575 ( 4.931 -1.668 14.419) 15.329 6.125 ( 5.073 12.872 2.345) 14.033 6.288 ( -3.020 7.263 1.637) 8.034 6.481 ( -6.035 0.825 -3.413) 6.982 7.411 ( 11.620 5.240 -3.848) 13.316 7.618 ( 3.613 -8.692 -9.837) 13.615 7.877 ( -5.432 -0.736 -2.989) 6.244 8.024 ( -3.848 9.872 -0.451) 10.605 8.905 ( 6.800 -3.906 -2.440) 8.213 9.403 ( 0.009 17.794 -3.684) 18.172 10.386 ( 2.338 -1.280 -3.800) 4.641 10.748 ( -5.179 -3.794 -1.443) 6.580 11.129 ( 0.139 7.387 3.285) 8.085 11.726 ( -10.860 3.847 -0.576) 11.535 12.284 ( 15.616 -9.356 12.556) 22.115 12.734 ( -0.987 0.063 14.953) 14.985 14.761 ( 4.193 -2.360 8.398) 9.679 14.986 ( -4.423 -5.055 21.243) 22.279 15.507 ( 10.086 -0.604 7.154) 12.380 16.175 ( -21.954 9.499 -2.918) 24.098 17.656 ( 14.829 4.531 -13.267) 20.406 18.175 ( -11.350 4.968 -18.880) 22.582 19.865 ( 24.512 -1.639 -6.970) 25.536 20.878 ( -22.875 -4.239 -10.373) 25.472 23.625 ( 1.500 -3.376 -0.872) 3.795 23.735 ( 1.331 0.980 -1.475) 2.216 23.925 ( 1.815 -1.302 -5.685) 6.108 24.114 ( -5.651 -0.160 -2.055) 6.015 24.712 ( 5.430 0.897 -1.154) 5.624 24.947 ( -5.300 1.769 -5.155) 7.603 26.825 ( 1.219 0.636 9.007) 9.111 26.839 ( 0.468 -1.871 8.229) 8.452 ======================= Grid point 269 (108/144) ======================= q-point: (-0.50 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 0.237 -6.295) 6.299 1.414 ( -0.000 0.560 -0.970) 1.121 1.829 ( 0.000 0.091 0.619) 0.626 1.946 ( 0.000 6.371 -1.695) 6.593 2.168 ( 0.000 -5.485 -1.568) 5.704 2.389 ( -0.000 1.065 -1.655) 1.968 2.851 ( 0.000 -0.682 0.677) 0.961 3.042 ( 0.000 12.729 -0.411) 12.735 4.593 ( 0.000 -27.597 10.792) 29.632 4.756 ( 0.000 -31.223 0.026) 31.223 5.634 ( 0.000 -3.554 16.514) 16.892 6.136 ( 0.000 2.325 -13.859) 14.052 6.316 ( 0.000 15.032 13.165) 19.982 6.384 ( -0.000 9.484 -0.434) 9.493 7.598 ( -0.000 -13.784 -8.367) 16.124 7.672 ( 0.000 -12.582 -16.921) 21.086 7.751 ( -0.000 8.638 -3.333) 9.258 7.973 ( 0.000 20.085 12.174) 23.486 9.001 ( 0.000 -5.720 1.474) 5.906 9.387 ( 0.000 14.833 -5.721) 15.898 10.433 ( 0.000 0.125 -5.516) 5.517 10.622 ( 0.000 5.245 -1.605) 5.485 11.233 ( 0.000 -4.079 3.765) 5.551 11.558 ( -0.000 9.315 -2.483) 9.640 12.521 ( -0.000 -8.108 12.924) 15.257 12.647 ( 0.000 -4.012 16.825) 17.297 14.846 ( 0.000 -6.593 19.604) 20.683 14.906 ( 0.000 -2.683 11.548) 11.855 15.745 ( 0.000 5.578 1.016) 5.670 15.809 ( -0.000 7.972 1.060) 8.043 17.918 ( 0.000 3.736 -17.021) 17.426 17.948 ( -0.000 4.949 -14.661) 15.474 20.364 ( 0.000 -3.602 -6.621) 7.537 20.394 ( -0.000 -2.357 -10.838) 11.092 23.642 ( 0.000 -3.647 -0.381) 3.666 23.746 ( 0.000 1.072 -1.577) 1.907 23.975 ( -0.000 -1.711 -4.349) 4.673 24.024 ( 0.000 0.440 -4.043) 4.067 24.808 ( -0.000 0.394 -3.629) 3.650 24.852 ( 0.000 2.538 -3.292) 4.157 26.839 ( -0.000 -0.854 8.598) 8.641 26.844 ( 0.000 -0.643 8.567) 8.591 ======================= Grid point 273 (109/144) ======================= q-point: ( 0.00 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -5.101 0.755) 5.157 1.444 ( 0.000 -3.823 -10.821) 11.476 1.700 ( 0.000 4.062 -2.551) 4.796 1.778 ( 0.000 -2.966 0.921) 3.106 2.355 ( 0.000 -7.554 -0.155) 7.555 2.704 ( 0.000 -0.724 3.032) 3.117 3.000 ( 0.000 7.215 -2.529) 7.645 3.720 ( 0.000 -23.189 4.506) 23.622 4.305 ( 0.000 -20.951 2.386) 21.086 4.920 ( 0.000 -26.405 16.349) 31.057 5.754 ( 0.000 8.327 14.931) 17.096 5.891 ( 0.000 -12.677 -2.026) 12.837 6.310 ( 0.000 -15.238 -13.043) 20.058 6.656 ( 0.000 13.581 10.808) 17.357 7.144 ( 0.000 -1.008 -11.454) 11.498 7.321 ( 0.000 -16.965 -4.634) 17.586 8.070 ( 0.000 17.314 2.875) 17.551 8.077 ( 0.000 22.155 -1.382) 22.198 8.636 ( 0.000 9.889 -8.715) 13.181 9.606 ( 0.000 22.665 0.924) 22.683 10.410 ( 0.000 5.767 -14.381) 15.494 10.414 ( 0.000 -11.645 11.298) 16.225 11.817 ( 0.000 -9.416 6.982) 11.722 11.888 ( 0.000 -3.770 1.231) 3.966 12.060 ( 0.000 3.718 15.502) 15.942 12.752 ( 0.000 16.769 2.463) 16.949 14.769 ( 0.000 -5.216 2.911) 5.974 15.184 ( 0.000 -25.680 0.675) 25.689 15.619 ( 0.000 -0.844 29.920) 29.932 16.967 ( 0.000 24.557 -9.209) 26.226 17.043 ( 0.000 -3.177 2.872) 4.283 18.146 ( 0.000 13.382 -20.945) 24.855 19.202 ( 0.000 -1.894 -3.966) 4.395 21.023 ( 0.000 -3.166 -20.321) 20.566 23.481 ( 0.000 -5.656 -3.663) 6.738 23.664 ( 0.000 0.981 -1.273) 1.607 23.822 ( 0.000 -0.621 -4.340) 4.384 24.232 ( 0.000 -0.745 -1.130) 1.353 24.660 ( 0.000 -3.796 6.114) 7.197 24.993 ( 0.000 3.217 -4.415) 5.463 26.901 ( 0.000 -5.610 5.386) 7.777 26.984 ( 0.000 5.154 8.717) 10.127 ======================= Grid point 274 (110/144) ======================= q-point: ( 0.17 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -7.139 -6.039 -7.155) 11.774 1.420 ( 0.985 -2.192 0.311) 2.423 1.696 ( 2.079 0.185 -7.090) 7.391 1.841 ( 4.346 1.818 3.095) 5.636 2.304 ( -4.901 -7.593 -0.016) 9.038 2.621 ( -7.128 -0.334 2.391) 7.526 2.912 ( -6.047 4.169 -1.286) 7.457 3.733 ( -4.221 -9.130 1.476) 10.166 4.231 ( -3.674 -23.429 3.932) 24.039 4.873 ( -5.308 -26.945 15.319) 31.446 5.673 ( -2.560 -3.503 6.343) 7.685 6.058 ( 8.886 -5.309 2.597) 10.672 6.244 ( -4.345 -11.502 -11.507) 16.840 6.651 ( -0.509 9.616 8.781) 13.032 7.130 ( 0.069 -9.244 -9.699) 13.399 7.341 ( 0.454 -10.273 -6.015) 11.913 8.051 ( -1.231 24.471 1.064) 24.525 8.183 ( 9.223 18.847 4.649) 21.491 8.685 ( 4.958 6.847 -8.063) 11.683 9.583 ( -2.498 20.452 -0.324) 20.607 10.309 ( -2.983 -0.559 -4.109) 5.108 10.578 ( 9.091 -5.207 1.125) 10.537 11.596 ( -18.638 5.870 7.778) 21.032 11.889 ( -1.885 -1.500 0.070) 2.410 12.107 ( 7.872 -7.373 9.971) 14.688 12.907 ( 10.157 9.469 9.351) 16.741 14.745 ( -0.563 -4.006 0.394) 4.065 15.222 ( 2.378 -21.979 4.992) 22.664 15.627 ( 1.279 -1.130 26.563) 26.618 16.652 ( -19.365 12.436 -2.478) 23.147 17.292 ( 13.093 8.081 -4.127) 15.930 18.085 ( -5.651 11.895 -18.518) 22.723 19.343 ( 13.535 -0.991 -6.290) 14.958 20.906 ( -11.624 -3.107 -19.490) 22.904 23.508 ( 2.531 -5.422 -2.959) 6.675 23.681 ( 1.589 0.797 -1.339) 2.226 23.812 ( -0.818 -0.887 -4.526) 4.684 24.192 ( -4.144 -1.289 -0.675) 4.392 24.672 ( 1.395 -2.404 4.162) 5.005 24.966 ( -2.547 3.322 -4.056) 5.829 26.911 ( 1.008 -5.148 5.527) 7.620 26.986 ( 0.158 4.016 8.347) 9.264 ======================= Grid point 275 (111/144) ======================= q-point: ( 0.33 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 2.251 -2.927 -7.187) 8.080 1.459 ( 0.912 -1.069 3.579) 3.844 1.776 ( 5.157 1.284 -6.351) 8.281 1.928 ( 3.749 5.503 3.115) 7.351 2.199 ( -4.315 -4.613 1.200) 6.430 2.473 ( -7.438 0.403 0.967) 7.511 2.831 ( -1.262 1.291 -1.141) 2.135 3.442 ( -21.336 10.398 -0.833) 23.749 4.287 ( 8.162 -29.849 4.233) 31.233 4.715 ( -10.195 -28.099 11.729) 32.110 5.679 ( 2.658 -9.955 2.628) 10.634 5.997 ( -9.709 -9.619 -10.299) 17.113 6.339 ( 8.942 -0.209 1.419) 9.056 6.640 ( -0.837 2.671 8.249) 8.711 7.170 ( 3.615 -15.388 -9.447) 18.415 7.318 ( -2.350 -5.909 -8.733) 10.802 8.033 ( -0.481 24.862 5.023) 25.369 8.342 ( 4.638 23.957 6.465) 25.244 8.852 ( 12.042 1.894 -2.501) 12.444 9.500 ( -6.069 15.191 -3.720) 16.776 10.303 ( 2.469 1.514 -4.286) 5.172 10.694 ( -0.544 -3.265 0.274) 3.322 11.311 ( -5.523 9.623 5.931) 12.581 11.752 ( -10.081 4.243 -0.856) 10.971 12.382 ( 17.418 -11.267 9.719) 22.908 12.988 ( -3.458 -1.548 13.464) 13.986 14.819 ( 8.629 -0.812 0.509) 8.682 15.211 ( -4.513 -13.070 11.260) 17.832 15.701 ( 6.899 -1.472 17.027) 18.431 16.258 ( -19.678 9.277 0.951) 21.776 17.534 ( 11.500 8.084 -7.200) 15.794 17.945 ( -8.184 9.818 -14.144) 19.063 19.695 ( 21.202 -0.592 -10.380) 23.614 20.586 ( -20.184 -2.587 -17.175) 26.628 23.566 ( 2.926 -4.633 -1.167) 5.603 23.711 ( 0.637 -0.208 -1.523) 1.664 23.816 ( 2.407 -1.249 -4.718) 5.442 24.076 ( -7.198 -1.814 -1.195) 7.519 24.719 ( 3.315 0.146 0.873) 3.431 24.900 ( -3.932 3.323 -3.077) 5.998 26.937 ( 1.532 -3.777 5.949) 7.212 26.985 ( -0.450 1.337 7.499) 7.630 ======================= Grid point 276 (112/144) ======================= q-point: (-0.50 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 -0.745 -1.922) 2.061 1.437 ( 0.000 0.874 3.137) 3.256 1.856 ( -0.000 2.106 0.105) 2.109 1.941 ( 0.000 5.965 -7.217) 9.363 2.177 ( 0.000 1.303 5.730) 5.877 2.372 ( -0.000 -0.114 -0.464) 0.478 2.854 ( 0.000 -1.277 1.014) 1.631 3.149 ( 0.000 15.701 -4.011) 16.206 4.472 ( 0.000 -32.627 4.329) 32.913 4.513 ( -0.000 -26.188 9.378) 27.817 5.740 ( -0.000 -15.444 4.368) 16.050 5.857 ( 0.000 -5.293 -13.610) 14.603 6.446 ( 0.000 2.107 0.746) 2.235 6.621 ( -0.000 -1.062 9.779) 9.836 7.227 ( -0.000 -14.339 -7.472) 16.169 7.279 ( 0.000 -7.255 -13.415) 15.251 8.029 ( 0.000 23.933 7.969) 25.225 8.375 ( 0.000 25.151 6.038) 25.866 9.032 ( 0.000 1.199 4.149) 4.318 9.398 ( -0.000 12.370 -8.136) 14.806 10.362 ( 0.000 1.899 -2.258) 2.950 10.617 ( 0.000 3.745 -3.089) 4.855 11.338 ( 0.000 3.552 6.878) 7.741 11.600 ( -0.000 7.365 -2.237) 7.697 12.655 ( -0.000 -9.583 11.977) 15.339 12.852 ( 0.000 -7.593 11.654) 13.909 15.018 ( 0.000 -3.595 4.948) 6.116 15.065 ( -0.000 -4.390 10.097) 11.010 15.877 ( -0.000 3.154 8.179) 8.766 15.948 ( 0.000 3.067 7.578) 8.175 17.713 ( 0.000 7.755 -11.427) 13.810 17.799 ( -0.000 9.225 -9.414) 13.180 20.120 ( 0.000 -2.414 -15.824) 16.007 20.170 ( -0.000 -0.580 -12.292) 12.306 23.601 ( -0.000 -3.993 0.099) 3.995 23.708 ( 0.000 -0.970 -2.546) 2.724 23.892 ( 0.000 -2.438 -2.540) 3.520 23.954 ( -0.000 -0.856 -3.539) 3.641 24.775 ( -0.000 1.401 -1.147) 1.811 24.838 ( 0.000 3.129 -1.859) 3.640 26.964 ( 0.000 -1.652 6.673) 6.875 26.970 ( 0.000 -1.422 6.576) 6.728 ======================= Grid point 280 (113/144) ======================= q-point: ( 0.00 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 -6.699 -8.275) 10.647 1.213 ( 0.000 -9.551 -3.561) 10.193 1.748 ( 0.000 6.393 0.948) 6.463 1.760 ( 0.000 -4.247 0.931) 4.348 2.273 ( 0.000 -9.639 0.147) 9.640 2.708 ( 0.000 -4.339 0.476) 4.365 3.059 ( 0.000 10.438 -1.089) 10.495 3.542 ( 0.000 -26.423 2.844) 26.575 4.104 ( 0.000 -26.285 1.450) 26.325 4.930 ( 0.000 -25.003 12.344) 27.884 5.660 ( 0.000 -18.643 -5.826) 19.532 5.871 ( 0.000 -21.501 -8.072) 22.966 6.152 ( 0.000 8.938 13.161) 15.909 6.783 ( 0.000 -12.946 2.158) 13.124 6.894 ( 0.000 -0.418 -13.164) 13.170 7.290 ( 0.000 8.025 6.471) 10.308 8.187 ( 0.000 5.582 -2.952) 6.314 8.370 ( 0.000 32.514 0.759) 32.523 8.688 ( 0.000 22.261 -2.945) 22.455 9.827 ( 0.000 19.012 0.577) 19.020 10.290 ( 0.000 11.284 -7.794) 13.714 10.481 ( 0.000 -11.769 8.173) 14.329 11.778 ( 0.000 -9.498 0.687) 9.523 11.929 ( 0.000 -1.905 4.800) 5.164 12.319 ( 0.000 4.107 8.694) 9.615 12.966 ( 0.000 18.054 2.046) 18.169 14.725 ( 0.000 -9.596 0.579) 9.614 14.888 ( 0.000 -27.184 -2.535) 27.302 16.086 ( 0.000 -2.017 21.580) 21.674 17.006 ( 0.000 -5.375 -1.558) 5.596 17.131 ( 0.000 26.075 -2.122) 26.161 18.009 ( 0.000 14.982 -10.506) 18.299 19.110 ( 0.000 -1.837 -3.600) 4.042 20.660 ( 0.000 0.054 -16.376) 16.376 23.354 ( 0.000 -7.799 -2.748) 8.269 23.653 ( 0.000 0.516 -0.752) 0.912 23.756 ( 0.000 0.186 -2.665) 2.672 24.207 ( 0.000 -1.217 -0.577) 1.347 24.694 ( 0.000 -7.512 3.568) 8.316 24.976 ( 0.000 5.214 -2.167) 5.647 26.903 ( 0.000 -8.405 2.571) 8.790 27.191 ( 0.000 8.272 6.581) 10.570 ======================= Grid point 281 (114/144) ======================= q-point: ( 0.17 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.724 -8.260 -1.249) 10.126 1.344 ( 8.610 -5.742 -6.097) 12.012 1.581 ( -4.375 -1.824 -3.626) 5.967 1.938 ( 8.695 5.110 3.480) 10.669 2.235 ( -3.405 -8.618 0.849) 9.305 2.635 ( -6.296 -2.584 0.777) 6.850 2.941 ( -8.376 5.407 -0.987) 10.018 3.608 ( 2.646 -17.560 -0.066) 17.758 4.081 ( -2.464 -21.550 3.462) 21.965 4.866 ( -7.369 -25.718 11.941) 29.296 5.572 ( -5.811 -14.899 -5.043) 16.769 5.808 ( -6.196 -21.405 -9.734) 24.317 6.244 ( 7.610 2.617 10.504) 13.233 6.703 ( -6.650 -8.875 -2.290) 11.324 6.880 ( 1.168 -10.845 -5.486) 12.210 7.336 ( 0.958 10.883 3.499) 11.472 8.329 ( 11.760 8.365 -1.068) 14.471 8.394 ( 3.842 30.123 0.967) 30.383 8.723 ( 3.664 21.653 -2.322) 22.083 9.763 ( -6.402 16.471 -0.065) 17.672 10.256 ( -1.257 6.260 -3.581) 7.320 10.588 ( 8.226 -4.864 3.868) 10.310 11.762 ( -15.445 3.413 5.160) 16.638 11.865 ( 4.497 -2.994 0.085) 5.404 12.194 ( -2.439 -2.498 5.086) 6.169 13.152 ( 9.980 9.377 7.002) 15.381 14.661 ( -0.556 -7.582 -2.599) 8.034 15.026 ( 9.235 -23.187 0.407) 24.962 16.058 ( -2.573 -1.910 20.279) 20.531 16.716 ( -18.825 5.753 -1.590) 19.749 17.346 ( 11.813 13.466 -1.549) 17.980 17.969 ( -3.737 13.870 -9.079) 16.993 19.227 ( 11.247 -0.384 -5.139) 12.371 20.555 ( -10.380 -0.181 -15.877) 18.970 23.395 ( 3.976 -7.411 -2.253) 8.706 23.667 ( 1.389 0.403 -0.756) 1.631 23.741 ( -1.315 -0.199 -2.622) 2.940 24.165 ( -4.466 -2.410 -0.272) 5.083 24.697 ( 0.730 -4.904 2.434) 5.523 24.955 ( -2.071 5.330 -2.042) 6.072 26.921 ( 1.831 -7.788 2.716) 8.449 27.169 ( -2.104 6.199 6.029) 8.900 ======================= Grid point 282 (115/144) ======================= q-point: ( 0.33 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 11.243 -1.562 4.997) 12.402 1.502 ( 5.247 -2.577 1.775) 6.109 1.617 ( 7.314 -0.381 -10.558) 12.849 2.035 ( -3.887 5.020 1.537) 6.532 2.215 ( 5.501 -0.789 3.689) 6.670 2.498 ( -7.148 0.431 1.207) 7.262 2.826 ( -1.331 2.493 -1.181) 3.063 3.485 ( -16.405 4.918 -3.075) 17.400 4.097 ( 6.737 -26.517 5.599) 27.926 4.641 ( -14.385 -26.673 9.207) 31.673 5.502 ( -1.144 -15.649 -5.886) 16.758 5.659 ( -7.769 -17.803 -10.513) 22.087 6.384 ( 5.322 -9.017 7.055) 12.626 6.608 ( -2.663 -16.937 -1.402) 17.202 6.955 ( 6.606 -5.538 -2.923) 9.102 7.280 ( -6.080 10.335 -0.014) 11.991 8.412 ( 1.850 28.237 5.476) 28.823 8.601 ( 6.797 16.786 -1.548) 18.176 8.890 ( 15.418 14.042 -0.142) 20.854 9.582 ( -11.817 11.959 -1.715) 16.900 10.295 ( 5.687 5.819 -0.637) 8.162 10.693 ( -0.686 1.325 0.452) 1.559 11.492 ( -6.859 7.737 3.882) 11.044 11.789 ( -9.686 5.800 -0.243) 11.293 12.402 ( 19.115 -12.199 5.270) 23.280 13.158 ( -9.818 -4.135 8.138) 13.406 14.796 ( 13.301 0.600 -1.944) 13.455 15.165 ( 3.111 -16.633 2.148) 17.058 16.009 ( -1.296 -1.570 15.777) 15.907 16.343 ( -17.710 3.190 0.860) 18.016 17.555 ( 9.302 11.651 -1.737) 15.010 17.876 ( -5.484 12.287 -6.432) 14.913 19.519 ( 17.544 1.029 -8.247) 19.412 20.275 ( -17.328 -0.028 -14.323) 22.481 23.496 ( 5.637 -6.114 -0.722) 8.347 23.681 ( -1.489 -0.852 -1.063) 2.018 23.740 ( 3.097 -0.857 -2.422) 4.024 24.032 ( -8.542 -3.895 -0.630) 9.409 24.735 ( 3.077 0.111 0.685) 3.154 24.898 ( -3.489 5.120 -1.760) 6.441 26.972 ( 3.174 -5.928 3.140) 7.422 27.113 ( -3.405 1.663 4.883) 6.181 ======================= Grid point 283 (116/144) ======================= q-point: (-0.50 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.000 -0.997 8.116) 8.177 1.533 ( 0.000 -0.686 6.045) 6.084 1.822 ( -0.000 3.917 -10.319) 11.037 1.843 ( 0.000 2.154 -4.223) 4.741 2.339 ( -0.000 6.145 5.582) 8.302 2.383 ( 0.000 1.104 1.201) 1.631 2.896 ( 0.000 1.877 5.146) 5.478 3.187 ( -0.000 14.989 -9.033) 17.500 4.280 ( -0.000 -30.276 8.520) 31.452 4.386 ( 0.000 -25.521 4.327) 25.885 5.515 ( -0.000 -20.909 -5.940) 21.736 5.552 ( 0.000 -12.152 -10.720) 16.204 6.437 ( -0.000 -14.789 4.943) 15.593 6.582 ( -0.000 -21.123 0.267) 21.125 7.108 ( 0.000 1.885 -0.233) 1.900 7.136 ( -0.000 7.203 -3.887) 8.184 8.433 ( 0.000 26.028 7.929) 27.209 8.647 ( -0.000 22.464 -2.311) 22.583 9.169 ( 0.000 8.879 5.612) 10.504 9.365 ( -0.000 10.467 -7.029) 12.608 10.417 ( 0.000 6.178 3.765) 7.235 10.600 ( -0.000 5.948 -4.176) 7.267 11.505 ( 0.000 6.665 5.359) 8.552 11.624 ( -0.000 6.037 -2.306) 6.463 12.753 ( -0.000 -10.181 9.523) 13.940 12.895 ( 0.000 -11.013 3.355) 11.513 15.038 ( 0.000 -4.020 2.267) 4.615 15.119 ( -0.000 -3.195 0.419) 3.222 16.047 ( -0.000 -1.058 8.504) 8.569 16.096 ( 0.000 -1.625 6.884) 7.073 17.683 ( 0.000 11.219 -2.415) 11.476 17.785 ( -0.000 11.659 -4.785) 12.603 19.851 ( 0.000 -0.300 -10.545) 10.550 19.944 ( -0.000 1.822 -12.643) 12.773 23.573 ( -0.000 -4.049 1.367) 4.274 23.646 ( 0.000 -2.425 -2.436) 3.437 23.834 ( 0.000 -3.446 -0.659) 3.509 23.881 ( -0.000 -2.475 -2.859) 3.781 24.791 ( -0.000 3.198 0.382) 3.221 24.839 ( 0.000 4.001 -1.936) 4.445 27.039 ( 0.000 -2.853 3.968) 4.887 27.044 ( -0.000 -2.647 3.733) 4.576 ======================= Grid point 287 (117/144) ======================= q-point: ( 0.00 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 -8.881 -0.000) 8.881 1.061 ( 0.000 -12.269 -0.000) 12.269 1.727 ( 0.000 -4.249 -0.000) 4.249 1.823 ( 0.000 5.879 0.000) 5.879 2.159 ( 0.000 -13.629 -0.000) 13.629 2.651 ( 0.000 -7.234 -0.000) 7.234 3.159 ( 0.000 11.495 0.000) 11.495 3.297 ( 0.000 -27.923 -0.000) 27.923 3.850 ( 0.000 -26.990 -0.000) 26.990 4.816 ( 0.000 -23.051 -0.000) 23.051 5.392 ( 0.000 -20.096 -0.000) 20.096 5.535 ( 0.000 -27.878 -0.000) 27.878 6.405 ( 0.000 3.887 0.000) 3.887 6.634 ( 0.000 -18.253 -0.000) 18.253 6.788 ( 0.000 14.584 0.000) 14.584 7.487 ( 0.000 13.739 0.000) 13.739 8.172 ( 0.000 1.257 0.000) 1.257 8.694 ( 0.000 30.673 0.000) 30.673 8.909 ( 0.000 25.875 0.000) 25.875 9.987 ( 0.000 10.820 0.000) 10.820 10.354 ( 0.000 14.457 0.000) 14.457 10.455 ( 0.000 -7.448 -0.000) 7.448 11.687 ( 0.000 -9.831 -0.000) 9.831 11.964 ( 0.000 -1.835 -0.000) 1.835 12.440 ( 0.000 4.342 0.000) 4.342 13.174 ( 0.000 18.813 0.000) 18.813 14.601 ( 0.000 -25.553 -0.000) 25.553 14.620 ( 0.000 -11.381 -0.000) 11.381 16.263 ( 0.000 -3.633 -0.000) 3.633 16.937 ( 0.000 -4.017 -0.000) 4.017 17.366 ( 0.000 24.500 0.000) 24.500 18.044 ( 0.000 11.585 0.000) 11.585 19.057 ( 0.000 -1.829 -0.000) 1.829 20.514 ( 0.000 1.969 0.000) 1.969 23.242 ( 0.000 -9.104 -0.000) 9.104 23.650 ( 0.000 0.225 0.000) 0.225 23.735 ( 0.000 0.484 0.000) 0.484 24.188 ( 0.000 -1.534 -0.000) 1.534 24.642 ( 0.000 -8.332 -0.000) 8.332 25.018 ( 0.000 7.293 0.000) 7.293 26.829 ( 0.000 -10.950 -0.000) 10.950 27.351 ( 0.000 9.990 0.000) 9.990 ======================= Grid point 288 (118/144) ======================= q-point: ( 0.17 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.757 -7.879 -0.000) 8.072 1.163 ( 9.257 -7.859 -0.000) 12.143 1.522 ( -6.190 -3.783 -0.000) 7.255 2.036 ( 12.638 5.001 0.000) 13.592 2.151 ( -1.661 -8.670 -0.000) 8.828 2.600 ( -4.354 -5.724 -0.000) 7.192 2.974 ( -10.934 1.885 0.000) 11.095 3.415 ( 6.085 -19.349 -0.000) 20.283 3.914 ( 3.178 -18.158 -0.000) 18.434 4.736 ( -8.902 -24.243 -0.000) 25.826 5.326 ( -4.471 -21.006 -0.000) 21.477 5.482 ( -5.479 -23.530 -0.000) 24.160 6.394 ( -1.433 -4.241 -0.000) 4.476 6.590 ( -8.626 -3.996 -0.000) 9.506 6.743 ( 3.798 -0.472 -0.000) 3.827 7.508 ( -1.440 13.299 0.000) 13.377 8.329 ( 15.151 1.660 0.000) 15.242 8.723 ( 2.416 30.528 0.000) 30.623 8.953 ( 4.424 26.259 0.000) 26.629 9.898 ( -8.470 9.781 0.000) 12.938 10.297 ( -1.178 5.824 0.000) 5.942 10.609 ( 10.363 3.998 0.000) 11.107 11.784 ( -2.177 -6.717 -0.000) 7.061 11.871 ( 0.952 0.667 0.000) 1.162 12.241 ( -11.532 3.018 0.000) 11.920 13.309 ( 4.287 7.174 0.000) 8.357 14.548 ( 4.464 -8.542 -0.000) 9.638 14.810 ( 10.925 -21.101 -0.000) 23.761 16.219 ( -4.034 -4.320 -0.000) 5.911 16.730 ( -16.812 1.967 0.000) 16.926 17.493 ( 9.375 17.679 0.000) 20.011 18.011 ( -3.091 11.114 0.000) 11.536 19.178 ( 11.294 0.280 0.000) 11.298 20.408 ( -10.218 1.270 0.000) 10.297 23.293 ( 4.967 -8.404 -0.000) 9.762 23.663 ( 1.325 0.150 0.000) 1.333 23.717 ( -1.662 0.136 0.000) 1.667 24.133 ( -5.701 -3.744 -0.000) 6.820 24.668 ( 2.826 -4.151 -0.000) 5.022 25.000 ( -1.859 7.604 0.000) 7.827 26.855 ( 2.621 -10.337 -0.000) 10.664 27.296 ( -5.145 6.644 0.000) 8.403 ======================= Grid point 289 (119/144) ======================= q-point: ( 0.33 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 20.079 3.425 0.000) 20.369 1.372 ( 10.662 -4.588 -0.000) 11.607 1.530 ( 3.722 -3.846 -0.000) 5.353 2.055 ( -8.990 -2.930 -0.000) 9.455 2.295 ( 11.716 7.800 0.000) 14.075 2.509 ( -4.559 -1.520 -0.000) 4.806 2.850 ( 1.680 3.615 0.000) 3.986 3.450 ( -6.590 -4.429 -0.000) 7.940 3.936 ( 2.838 -17.261 -0.000) 17.493 4.471 ( -16.681 -25.733 -0.000) 30.667 5.266 ( -1.690 -19.164 -0.000) 19.238 5.350 ( -6.564 -20.342 -0.000) 21.375 6.358 ( -1.621 -14.833 -0.000) 14.921 6.419 ( -6.429 -9.866 -0.000) 11.776 6.916 ( 11.854 0.358 0.000) 11.860 7.394 ( -9.408 9.701 0.000) 13.513 8.637 ( 11.995 6.408 0.000) 13.599 8.772 ( 2.060 25.788 0.000) 25.870 9.098 ( 11.400 24.544 0.000) 27.063 9.680 ( -13.155 10.559 0.000) 16.868 10.361 ( 7.984 6.339 0.000) 10.195 10.742 ( -0.051 8.373 0.000) 8.374 11.580 ( -6.037 3.255 0.000) 6.859 11.865 ( -10.229 9.778 0.000) 14.151 12.324 ( 19.568 -13.144 -0.000) 23.573 13.178 ( -16.148 -7.486 -0.000) 17.798 14.783 ( 15.996 -0.532 -0.000) 16.005 15.003 ( 7.302 -19.035 -0.000) 20.388 16.132 ( -3.662 -4.086 -0.000) 5.487 16.380 ( -16.914 4.740 0.000) 17.565 17.672 ( 8.451 13.311 0.000) 15.767 17.932 ( -4.826 10.822 0.000) 11.849 19.459 ( 16.422 2.420 0.000) 16.599 20.141 ( -16.145 0.974 0.000) 16.175 23.424 ( 7.742 -6.888 -0.000) 10.363 23.662 ( -3.107 -0.915 -0.000) 3.239 23.712 ( 2.949 -0.643 -0.000) 3.018 23.977 ( -9.284 -5.596 -0.000) 10.840 24.750 ( 5.179 2.421 0.000) 5.717 24.944 ( -3.762 7.716 0.000) 8.584 26.929 ( 4.788 -8.451 -0.000) 9.713 27.172 ( -6.893 0.241 0.000) 6.897 ======================= Grid point 290 (120/144) ======================= q-point: (-0.50 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.246 -2.404 0.000) 2.416 1.505 ( 0.246 -2.404 0.000) 2.416 1.772 ( -17.295 1.341 0.000) 17.346 1.772 ( 17.295 1.341 0.000) 17.346 2.428 ( -3.187 3.217 0.000) 4.528 2.428 ( 3.187 3.217 0.000) 4.528 3.119 ( -10.933 10.074 0.000) 14.867 3.119 ( 10.933 10.074 0.000) 14.867 4.136 ( -11.676 -24.949 -0.000) 27.546 4.136 ( 11.676 -24.949 -0.000) 27.546 5.264 ( -0.393 -19.044 0.000) 19.048 5.264 ( 0.393 -19.044 0.000) 19.048 6.349 ( -0.110 -16.852 0.000) 16.852 6.349 ( 0.110 -16.852 0.000) 16.852 7.168 ( -12.592 4.933 0.000) 13.524 7.168 ( 12.592 4.933 0.000) 13.524 8.768 ( -0.598 17.554 0.000) 17.564 8.768 ( 0.598 17.554 0.000) 17.564 9.389 ( -12.323 15.607 0.000) 19.886 9.389 ( 12.323 15.607 0.000) 19.886 10.584 ( -7.865 8.342 0.000) 11.464 10.584 ( 7.865 8.342 0.000) 11.464 11.644 ( -7.874 7.207 0.000) 10.674 11.644 ( 7.874 7.207 0.000) 10.674 12.769 ( -20.956 -12.290 -0.000) 24.294 12.769 ( 20.956 -12.290 -0.000) 24.294 15.029 ( -3.245 -9.198 0.000) 9.754 15.029 ( 3.245 -9.198 0.000) 9.754 16.139 ( -4.832 1.196 0.000) 4.978 16.139 ( 4.832 1.196 0.000) 4.978 17.820 ( -3.179 11.398 0.000) 11.833 17.820 ( 3.179 11.398 0.000) 11.833 19.801 ( -14.577 2.030 0.000) 14.717 19.801 ( 14.577 2.030 0.000) 14.717 23.570 ( -4.037 -3.918 0.000) 5.625 23.570 ( 4.037 -3.918 0.000) 5.625 23.808 ( -5.641 -3.344 0.000) 6.558 23.808 ( 5.641 -3.344 0.000) 6.558 24.855 ( -3.716 6.312 0.000) 7.325 24.855 ( 3.716 6.312 0.000) 7.325 27.040 ( -6.294 -5.047 -0.000) 8.068 27.040 ( 6.294 -5.047 -0.000) 8.068 ======================= Grid point 336 (121/144) ======================= q-point: ( 0.00 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.000 -0.000 5.578) 5.578 1.613 ( 0.000 0.000 -3.562) 3.562 1.748 ( 0.000 0.000 -6.039) 6.039 1.808 ( 0.000 0.000 -0.620) 0.620 2.506 ( 0.000 0.000 -0.360) 0.360 2.595 ( 0.000 -0.000 5.251) 5.251 2.969 ( 0.000 0.000 -4.729) 4.729 4.001 ( 0.000 -0.000 9.538) 9.538 4.603 ( 0.000 0.000 -1.315) 1.315 5.348 ( 0.000 -0.000 18.934) 18.934 5.358 ( 0.000 -0.000 14.037) 14.037 5.636 ( 0.000 -0.000 17.553) 17.553 6.382 ( 0.000 0.000 -5.389) 5.389 6.665 ( 0.000 -0.000 3.567) 3.567 7.012 ( 0.000 0.000 -15.061) 15.061 7.309 ( 0.000 -0.000 14.193) 14.193 8.100 ( 0.000 0.000 -16.941) 16.941 8.370 ( 0.000 0.000 -19.447) 19.447 8.673 ( 0.000 0.000 -9.171) 9.171 9.030 ( 0.000 -0.000 3.983) 3.983 10.445 ( 0.000 -0.000 6.622) 6.622 10.640 ( 0.000 0.000 -16.551) 16.551 11.673 ( 0.000 -0.000 19.577) 19.577 11.837 ( 0.000 -0.000 4.441) 4.441 12.041 ( 0.000 -0.000 12.474) 12.474 12.333 ( 0.000 0.000 -6.547) 6.547 14.738 ( 0.000 -0.000 6.367) 6.367 15.094 ( 0.000 -0.000 28.751) 28.751 15.467 ( 0.000 -0.000 16.859) 16.859 16.869 ( 0.000 0.000 -26.343) 26.343 16.980 ( 0.000 -0.000 5.605) 5.605 18.404 ( 0.000 0.000 -27.934) 27.934 19.284 ( 0.000 0.000 -1.318) 1.318 21.428 ( 0.000 0.000 -14.121) 14.121 23.621 ( 0.000 -0.000 0.009) 0.009 23.665 ( 0.000 0.000 -3.645) 3.645 23.933 ( 0.000 0.000 -5.625) 5.625 24.259 ( 0.000 0.000 -0.984) 0.984 24.580 ( 0.000 -0.000 5.565) 5.565 25.056 ( 0.000 0.000 -7.012) 7.012 26.755 ( 0.000 -0.000 8.763) 8.763 26.853 ( 0.000 -0.000 8.384) 8.384 ======================= Grid point 338 (122/144) ======================= q-point: ( 0.17 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 3.331 -0.000 5.057) 6.056 1.522 ( -7.321 0.000 -6.637) 9.882 1.781 ( 2.139 0.000 -3.808) 4.368 1.799 ( -0.573 0.000 -0.092) 0.581 2.488 ( -1.867 0.000 -0.905) 2.075 2.525 ( -6.935 -0.000 3.609) 7.818 2.888 ( -5.917 0.000 -3.248) 6.749 3.746 ( -23.212 -0.000 6.382) 24.073 4.698 ( 8.328 0.000 -2.175) 8.608 5.270 ( -3.718 -0.000 14.461) 14.931 5.507 ( 9.275 -0.000 17.593) 19.888 5.654 ( 2.195 -0.000 17.133) 17.273 6.289 ( -5.646 0.000 -1.524) 5.848 6.839 ( -14.410 0.000 -10.536) 17.851 6.889 ( 17.961 -0.000 0.930) 17.985 7.426 ( 9.033 -0.000 10.268) 13.676 8.069 ( -3.108 0.000 -15.870) 16.171 8.243 ( -9.608 0.000 -17.176) 19.681 8.802 ( 9.387 0.000 -10.343) 13.968 9.068 ( 3.569 -0.000 2.555) 4.389 10.406 ( -1.705 0.000 -0.609) 1.810 10.767 ( 10.674 0.000 -8.242) 13.485 11.288 ( -25.553 -0.000 10.357) 27.572 11.876 ( -4.665 -0.000 2.480) 5.283 12.145 ( 10.032 -0.000 12.671) 16.162 12.522 ( 14.065 -0.000 5.229) 15.006 14.731 ( 0.077 -0.000 5.372) 5.373 15.082 ( -1.339 -0.000 27.904) 27.936 15.478 ( 1.278 -0.000 15.989) 16.040 16.501 ( -22.296 0.000 -10.395) 24.600 17.294 ( 17.130 0.000 -10.372) 20.026 18.315 ( -7.912 0.000 -24.451) 25.699 19.461 ( 16.626 0.000 -4.307) 17.175 21.293 ( -13.449 0.000 -13.342) 18.944 23.635 ( 1.354 0.000 -0.150) 1.362 23.683 ( 1.661 0.000 -2.944) 3.380 23.929 ( -0.224 0.000 -5.780) 5.785 24.215 ( -4.104 0.000 -0.543) 4.140 24.616 ( 3.469 -0.000 3.270) 4.767 25.021 ( -3.452 0.000 -6.597) 7.446 26.775 ( 1.861 -0.000 8.759) 8.955 26.855 ( 0.195 -0.000 8.395) 8.397 ======================= Grid point 340 (123/144) ======================= q-point: ( 0.33 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -3.546 0.000 -8.809) 9.496 1.400 ( 1.759 -0.000 2.742) 3.258 1.809 ( 2.050 -0.000 0.568) 2.127 1.824 ( 2.464 0.000 -2.735) 3.681 2.361 ( -7.828 -0.000 1.090) 7.903 2.422 ( -5.231 0.000 -2.659) 5.868 2.812 ( -0.988 0.000 -0.905) 1.340 3.230 ( -25.273 -0.000 1.878) 25.343 4.877 ( 9.030 0.000 -1.577) 9.167 5.176 ( -5.941 -0.000 9.853) 11.505 5.689 ( 8.376 -0.000 17.846) 19.714 5.732 ( 5.367 -0.000 16.885) 17.717 6.205 ( -2.399 0.000 -0.546) 2.461 6.519 ( -16.691 0.000 -7.788) 18.418 7.278 ( 20.330 -0.000 0.063) 20.330 7.614 ( 9.183 -0.000 8.895) 12.784 7.982 ( -5.685 0.000 -12.779) 13.987 8.022 ( -12.875 0.000 -16.229) 20.716 8.990 ( 9.329 0.000 -7.850) 12.192 9.142 ( 2.875 0.000 -0.740) 2.968 10.401 ( 1.317 0.000 -4.525) 4.712 10.808 ( -21.465 -0.000 3.889) 21.814 11.034 ( 16.109 0.000 -2.128) 16.249 11.686 ( -13.520 -0.000 0.002) 13.520 12.397 ( 14.241 -0.000 13.641) 19.721 12.716 ( 3.519 -0.000 13.671) 14.116 14.780 ( 5.523 -0.000 6.197) 8.301 15.035 ( -3.710 -0.000 24.312) 24.593 15.530 ( 4.715 -0.000 11.862) 12.765 16.059 ( -21.598 0.000 -5.978) 22.410 17.612 ( 15.188 0.000 -13.787) 20.512 18.127 ( -10.870 0.000 -19.949) 22.719 19.883 ( 25.109 0.000 -7.632) 26.243 20.922 ( -23.420 0.000 -11.595) 26.133 23.670 ( 2.050 0.000 -0.455) 2.100 23.714 ( 0.903 0.000 -1.329) 1.607 23.939 ( 1.728 0.000 -5.768) 6.021 24.114 ( -5.704 0.000 -1.474) 5.891 24.705 ( 5.300 0.000 -0.401) 5.315 24.931 ( -5.414 0.000 -5.370) 7.625 26.816 ( 2.033 -0.000 8.714) 8.948 26.857 ( -0.099 -0.000 8.460) 8.461 ======================= Grid point 342 (124/144) ======================= q-point: (-0.50 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -0.943 0.000 -3.374) 3.504 1.394 ( 0.944 0.000 -3.374) 3.504 1.855 ( -0.109 0.000 -1.166) 1.171 1.855 ( 0.109 0.000 -1.166) 1.171 2.305 ( -0.918 0.000 -2.361) 2.534 2.305 ( 0.918 0.000 -2.361) 2.534 2.880 ( -7.349 0.000 0.333) 7.357 2.880 ( 7.349 0.000 0.333) 7.357 5.041 ( -2.600 0.000 3.310) 4.208 5.041 ( 2.600 0.000 3.310) 4.208 5.796 ( -0.032 0.000 18.262) 18.262 5.796 ( 0.032 0.000 18.262) 18.262 6.250 ( -6.577 0.000 -4.718) 8.095 6.250 ( 6.577 0.000 -4.718) 8.095 7.640 ( -9.971 -0.000 4.282) 10.852 7.640 ( 9.971 -0.000 4.282) 10.852 7.865 ( -2.638 0.000 -13.655) 13.907 7.865 ( 2.638 0.000 -13.655) 13.907 9.136 ( -0.940 0.000 -4.204) 4.308 9.136 ( 0.940 0.000 -4.204) 4.308 10.495 ( -6.147 0.000 -2.107) 6.498 10.495 ( 6.147 0.000 -2.107) 6.498 11.373 ( -12.174 0.000 -0.411) 12.181 11.373 ( 12.174 0.000 -0.411) 12.181 12.647 ( -7.484 -0.000 15.082) 16.837 12.647 ( 7.484 -0.000 15.082) 16.837 14.924 ( -7.147 -0.000 15.152) 16.753 14.924 ( 7.147 -0.000 15.152) 16.753 15.702 ( -13.036 0.000 2.317) 13.240 15.702 ( 13.036 0.000 2.317) 13.240 17.891 ( -12.979 0.000 -16.630) 21.096 17.891 ( 12.979 0.000 -16.630) 21.096 20.410 ( -27.408 0.000 -9.729) 29.083 20.410 ( 27.408 0.000 -9.729) 29.083 23.707 ( -0.361 0.000 -0.657) 0.750 23.707 ( 0.361 0.000 -0.657) 0.750 24.006 ( -4.285 0.000 -3.916) 5.804 24.006 ( 4.285 0.000 -3.916) 5.804 24.817 ( -5.514 0.000 -3.325) 6.439 24.817 ( 5.514 0.000 -3.325) 6.439 26.847 ( -1.002 -0.000 8.593) 8.651 26.847 ( 1.002 -0.000 8.593) 8.651 ======================= Grid point 350 (125/144) ======================= q-point: ( 0.00 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 -2.030 4.819) 5.229 1.486 ( 0.000 -0.775 -9.842) 9.872 1.644 ( 0.000 1.462 -5.537) 5.726 1.824 ( 0.000 -1.403 2.393) 2.774 2.477 ( 0.000 -4.293 -0.271) 4.301 2.680 ( 0.000 2.378 2.780) 3.659 2.901 ( 0.000 2.425 -3.651) 4.384 4.085 ( 0.000 -11.559 6.106) 13.073 4.578 ( 0.000 -5.591 1.847) 5.888 5.456 ( 0.000 -24.772 15.394) 29.165 5.661 ( 0.000 0.836 15.253) 15.276 5.981 ( 0.000 7.579 6.196) 9.789 6.396 ( 0.000 6.547 8.050) 10.376 6.566 ( 0.000 -14.155 -7.272) 15.914 6.946 ( 0.000 20.167 -4.460) 20.654 7.553 ( 0.000 -2.058 8.054) 8.312 7.840 ( 0.000 1.887 -7.619) 7.849 7.988 ( 0.000 -7.665 -15.225) 17.046 8.503 ( 0.000 3.976 -11.542) 12.208 9.188 ( 0.000 15.610 2.995) 15.895 10.342 ( 0.000 1.431 -16.646) 16.707 10.582 ( 0.000 -4.598 10.439) 11.407 11.899 ( 0.000 -1.008 3.439) 3.584 12.003 ( 0.000 1.696 15.727) 15.818 12.079 ( 0.000 -13.825 1.785) 13.940 12.398 ( 0.000 17.894 1.419) 17.950 14.847 ( 0.000 -2.252 6.226) 6.621 15.639 ( 0.000 -0.673 30.961) 30.969 15.647 ( 0.000 -18.172 9.600) 20.552 16.521 ( 0.000 17.649 -18.099) 25.280 17.078 ( 0.000 -0.644 5.242) 5.281 17.960 ( 0.000 4.944 -23.260) 23.780 19.226 ( 0.000 -0.594 -4.411) 4.451 21.071 ( 0.000 -1.362 -23.070) 23.111 23.574 ( 0.000 -3.680 -2.704) 4.567 23.635 ( 0.000 2.005 -1.150) 2.311 23.831 ( 0.000 -0.233 -5.254) 5.259 24.240 ( 0.000 -0.122 -1.008) 1.015 24.724 ( 0.000 -2.027 9.908) 10.113 24.955 ( 0.000 0.800 -4.666) 4.734 26.902 ( 0.000 2.445 6.565) 7.006 26.973 ( 0.000 -1.799 5.943) 6.209 ======================= Grid point 351 (126/144) ======================= q-point: ( 0.17 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -7.896 -2.744 -6.928) 10.857 1.438 ( 1.707 0.092 3.921) 4.277 1.688 ( 3.339 0.348 -6.994) 7.758 1.830 ( 0.730 -0.110 3.044) 3.132 2.436 ( -4.338 -5.386 -0.921) 6.977 2.591 ( -8.057 3.068 1.423) 8.738 2.846 ( -3.900 1.734 -2.146) 4.778 3.836 ( -23.998 -2.227 4.532) 24.523 4.619 ( 5.279 -11.900 0.968) 13.054 5.392 ( -5.912 -21.302 13.412) 25.857 5.741 ( 5.880 -5.909 13.169) 15.586 6.012 ( 3.251 11.733 6.343) 13.728 6.362 ( -2.911 6.443 7.761) 10.499 6.554 ( -3.932 -13.075 -6.431) 15.092 7.026 ( 9.937 17.313 -1.437) 20.014 7.574 ( 0.847 -6.401 0.766) 6.502 7.828 ( -1.398 2.239 -8.366) 8.772 7.963 ( -0.785 -0.600 -6.284) 6.361 8.609 ( 9.449 1.387 -11.092) 14.636 9.197 ( 0.688 14.630 1.688) 14.743 10.287 ( -2.795 0.963 -11.474) 11.849 10.726 ( 11.573 -5.926 5.677) 14.187 11.467 ( -28.140 5.109 6.597) 29.351 11.897 ( -6.978 -0.058 0.456) 6.993 12.294 ( 11.969 -9.066 9.536) 17.788 12.692 ( 19.730 9.998 6.964) 23.189 14.807 ( -2.671 -1.873 3.643) 4.890 15.567 ( -5.559 -7.488 22.210) 24.088 15.705 ( 3.496 -9.320 17.160) 19.838 16.346 ( -14.450 14.441 -9.575) 22.561 17.209 ( 10.623 1.577 -1.371) 10.827 17.918 ( -4.073 4.459 -21.094) 21.942 19.358 ( 12.900 -0.394 -6.769) 14.574 20.952 ( -11.791 -1.319 -22.109) 25.091 23.598 ( 2.120 -3.664 -1.854) 4.621 23.653 ( 1.915 2.031 -1.483) 3.161 23.824 ( -0.447 -0.356 -5.291) 5.322 24.206 ( -3.609 -0.251 -0.446) 3.645 24.718 ( -0.246 -1.592 7.541) 7.711 24.928 ( -2.635 0.836 -4.238) 5.059 26.920 ( 1.666 2.011 6.542) 7.044 26.977 ( 0.335 -1.608 5.985) 6.206 ======================= Grid point 352 (127/144) ======================= q-point: ( 0.33 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -1.038 -1.933 -6.341) 6.710 1.468 ( -0.631 -0.055 4.702) 4.744 1.759 ( 3.829 0.407 -5.514) 6.725 1.855 ( 1.515 1.835 3.049) 3.868 2.309 ( -7.409 -6.455 -0.936) 9.871 2.429 ( -7.669 4.506 -0.661) 8.919 2.796 ( -0.221 1.336 -1.691) 2.166 3.285 ( -27.376 4.498 1.385) 27.777 4.775 ( 9.947 -15.596 0.590) 18.507 5.228 ( -10.613 -19.063 8.616) 23.458 5.857 ( 6.331 -9.884 7.540) 13.951 6.087 ( 2.361 6.663 7.709) 10.459 6.275 ( -5.010 1.743 2.454) 5.845 6.445 ( -4.848 8.826 5.135) 11.304 7.289 ( 13.964 4.057 -3.703) 15.006 7.558 ( -2.200 -11.904 -11.096) 16.421 7.790 ( -2.063 0.247 -5.930) 6.284 7.965 ( -0.133 11.811 5.978) 13.238 8.838 ( 12.849 -0.680 -6.969) 14.633 9.197 ( -1.249 12.020 -1.713) 12.206 10.282 ( 2.931 0.477 -7.817) 8.362 10.822 ( -15.650 -7.483 2.309) 17.500 11.110 ( 6.451 9.157 4.215) 11.967 11.699 ( -12.792 1.282 0.643) 12.873 12.579 ( 16.001 -7.171 10.449) 20.412 12.959 ( 5.216 3.006 11.413) 12.904 14.825 ( 6.421 -0.127 -0.409) 6.436 15.388 ( -13.284 -4.418 12.662) 18.876 15.779 ( 4.016 -5.411 17.978) 19.199 16.061 ( -12.520 8.778 4.503) 15.939 17.431 ( 11.280 2.502 -7.603) 13.832 17.808 ( -7.043 3.690 -16.685) 18.483 19.705 ( 21.559 -0.351 -11.413) 24.397 20.625 ( -20.818 -1.109 -19.503) 28.549 23.641 ( 2.057 -2.755 -0.824) 3.536 23.699 ( 1.716 1.158 -1.228) 2.407 23.836 ( 2.704 -0.585 -5.061) 5.768 24.097 ( -7.131 -0.460 -0.384) 7.157 24.731 ( 1.724 -0.688 2.857) 3.407 24.862 ( -3.804 0.844 -2.956) 4.891 26.956 ( 1.692 0.975 6.457) 6.746 26.983 ( 0.194 -1.042 6.112) 6.204 ======================= Grid point 353 (128/144) ======================= q-point: (-0.50 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.000 -3.025 -0.181) 3.030 1.395 ( -0.000 3.177 1.639) 3.575 1.829 ( -0.000 0.409 -1.063) 1.139 1.850 ( 0.000 2.785 -3.597) 4.549 2.220 ( 0.000 -5.031 0.708) 5.081 2.330 ( 0.000 4.663 -1.538) 4.910 2.863 ( 0.000 -0.509 -0.256) 0.570 2.921 ( -0.000 6.749 -1.748) 6.972 4.989 ( 0.000 -17.303 5.859) 18.268 5.004 ( -0.000 -16.821 0.575) 16.831 5.984 ( 0.000 -8.761 -4.755) 9.968 6.026 ( -0.000 -14.073 15.986) 21.298 6.252 ( 0.000 13.760 -0.264) 13.762 6.391 ( -0.000 18.659 13.807) 23.212 7.485 ( 0.000 -7.490 -14.303) 16.146 7.497 ( -0.000 -7.165 -12.859) 14.721 7.764 ( 0.000 -0.456 6.220) 6.237 7.955 ( 0.000 15.985 5.315) 16.846 9.021 ( 0.000 -1.565 -2.187) 2.690 9.149 ( 0.000 11.158 -5.768) 12.561 10.395 ( 0.000 -4.731 -2.209) 5.221 10.515 ( 0.000 6.393 -3.297) 7.194 11.343 ( 0.000 -3.719 4.047) 5.497 11.456 ( -0.000 6.969 0.425) 6.982 12.831 ( -0.000 -7.517 12.065) 14.215 12.920 ( 0.000 0.865 11.770) 11.802 15.055 ( 0.000 -1.278 0.945) 1.589 15.086 ( -0.000 1.306 2.263) 2.612 15.859 ( 0.000 -1.059 15.923) 15.958 15.897 ( 0.000 2.327 15.458) 15.632 17.623 ( 0.000 1.268 -12.663) 12.726 17.659 ( -0.000 4.692 -11.760) 12.662 20.161 ( 0.000 -1.503 -16.457) 16.525 20.176 ( -0.000 0.086 -15.218) 15.218 23.668 ( -0.000 -2.730 -0.584) 2.792 23.706 ( 0.000 1.085 -1.675) 1.995 23.934 ( 0.000 -1.709 -2.156) 2.751 23.957 ( -0.000 0.552 -2.636) 2.693 24.774 ( -0.000 -0.841 -0.624) 1.047 24.797 ( 0.000 1.410 -0.850) 1.647 26.979 ( -0.000 -0.234 6.324) 6.329 26.981 ( 0.000 -0.063 6.269) 6.269 ======================= Grid point 357 (129/144) ======================= q-point: ( 0.00 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 -2.120 -9.071) 9.315 1.381 ( 0.000 -7.411 -0.980) 7.475 1.628 ( 0.000 5.537 -0.264) 5.543 1.841 ( 0.000 -3.647 1.897) 4.111 2.423 ( 0.000 -5.850 0.093) 5.851 2.733 ( 0.000 2.355 0.421) 2.392 2.893 ( 0.000 4.857 -1.272) 5.020 4.009 ( 0.000 -19.771 3.255) 20.037 4.530 ( 0.000 -13.693 2.380) 13.898 5.454 ( 0.000 -26.397 12.296) 29.120 5.922 ( 0.000 6.070 10.523) 12.148 5.961 ( 0.000 -10.218 -2.747) 10.581 6.269 ( 0.000 -16.325 -7.379) 17.915 6.726 ( 0.000 13.646 10.983) 17.517 6.993 ( 0.000 0.613 -5.836) 5.868 7.416 ( 0.000 -15.545 -3.494) 15.933 7.826 ( 0.000 16.244 -4.830) 16.947 7.994 ( 0.000 12.986 5.983) 14.298 8.369 ( 0.000 9.981 -9.653) 13.885 9.408 ( 0.000 20.532 1.228) 20.568 10.122 ( 0.000 5.528 -10.468) 11.838 10.692 ( 0.000 -8.127 7.950) 11.368 11.937 ( 0.000 -3.153 1.394) 3.448 11.980 ( 0.000 -6.995 1.166) 7.091 12.247 ( 0.000 2.830 8.690) 9.139 12.600 ( 0.000 17.642 0.948) 17.667 14.891 ( 0.000 -6.607 3.253) 7.365 15.444 ( 0.000 -28.801 -1.717) 28.852 16.119 ( 0.000 -1.028 21.708) 21.732 16.594 ( 0.000 28.005 -3.159) 28.182 17.113 ( 0.000 -5.353 0.839) 5.419 17.730 ( 0.000 12.296 -10.812) 16.374 19.137 ( 0.000 -0.897 -4.042) 4.141 20.666 ( 0.000 -0.483 -18.547) 18.553 23.485 ( 0.000 -5.344 -1.970) 5.695 23.636 ( 0.000 1.273 -0.600) 1.407 23.753 ( 0.000 0.098 -3.118) 3.120 24.223 ( 0.000 -0.407 -0.588) 0.716 24.839 ( 0.000 -6.157 6.437) 8.907 24.907 ( 0.000 1.959 -2.273) 3.001 27.025 ( 0.000 -4.030 2.989) 5.018 27.040 ( 0.000 6.145 4.110) 7.393 ======================= Grid point 358 (130/144) ======================= q-point: ( 0.17 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -5.568 -4.261 -2.246) 7.363 1.443 ( 5.523 -4.648 -4.161) 8.332 1.587 ( -1.442 1.448 -2.377) 3.135 1.885 ( 3.501 0.311 2.653) 4.404 2.373 ( -4.941 -5.525 0.109) 7.413 2.634 ( -8.531 2.986 0.100) 9.039 2.842 ( -4.232 2.971 -1.061) 5.279 3.850 ( -18.010 -7.275 2.074) 19.534 4.507 ( 0.966 -17.836 2.676) 18.062 5.387 ( -7.699 -24.773 11.604) 28.419 5.785 ( -3.720 -8.849 -0.249) 9.602 6.131 ( 0.402 -0.861 -0.803) 1.244 6.245 ( 4.669 -14.675 0.669) 15.414 6.732 ( 1.272 10.075 9.894) 14.178 7.050 ( 4.142 -2.170 -5.212) 7.002 7.366 ( -4.643 -12.704 -5.167) 14.479 7.808 ( 0.492 20.819 -2.650) 20.992 8.125 ( 9.049 13.277 7.314) 17.653 8.453 ( 9.361 6.498 -9.931) 15.115 9.384 ( -2.520 18.993 0.397) 19.163 10.121 ( 0.576 5.277 -8.597) 10.104 10.769 ( 6.339 -9.640 6.148) 13.073 11.621 ( -24.886 8.594 3.028) 26.502 11.902 ( -5.701 -1.032 0.639) 5.829 12.331 ( 10.714 -9.586 5.201) 15.288 12.916 ( 19.866 13.183 4.454) 24.255 14.807 ( -5.814 -6.397 0.827) 8.684 15.488 ( 1.792 -22.992 -0.551) 23.068 16.079 ( -3.307 0.279 18.947) 19.235 16.475 ( -9.568 17.038 1.977) 19.641 17.213 ( 8.234 0.826 -0.785) 8.313 17.709 ( -2.107 11.464 -9.953) 15.327 19.235 ( 9.807 -0.357 -5.636) 11.317 20.563 ( -10.306 -0.489 -17.952) 20.706 23.521 ( 3.401 -5.246 -1.500) 6.429 23.651 ( 1.580 1.338 -0.733) 2.196 23.745 ( -0.658 -0.185 -3.059) 3.134 24.194 ( -3.190 -0.689 -0.287) 3.276 24.806 ( -2.656 -5.068 5.139) 7.691 24.886 ( -2.029 1.925 -2.047) 3.465 27.033 ( 0.728 -3.568 3.054) 4.752 27.050 ( 0.841 5.000 3.985) 6.449 ======================= Grid point 359 (131/144) ======================= q-point: ( 0.33 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 5.005 -2.805 3.136) 6.538 1.543 ( 2.392 -1.694 2.678) 3.971 1.623 ( 5.113 -0.248 -8.312) 9.762 1.934 ( -1.015 3.771 2.177) 4.471 2.258 ( -4.673 -2.792 0.636) 5.481 2.460 ( -8.349 3.523 -0.245) 9.065 2.777 ( -0.653 1.653 -1.943) 2.634 3.355 ( -28.004 6.312 0.171) 28.707 4.617 ( 9.531 -22.103 2.592) 24.209 5.163 ( -14.313 -23.329 7.563) 28.396 5.762 ( 0.901 -12.766 -2.480) 13.035 6.008 ( -7.553 -16.133 -5.266) 18.576 6.431 ( 9.332 2.863 10.475) 14.318 6.768 ( 1.525 9.222 11.268) 14.640 7.109 ( 1.597 -10.178 -10.358) 14.609 7.259 ( -5.319 -10.308 -7.836) 13.999 7.881 ( 6.544 21.355 2.760) 22.505 8.218 ( 0.021 17.496 3.635) 17.870 8.748 ( 18.325 3.786 -4.542) 19.256 9.299 ( -6.547 14.740 -1.748) 16.223 10.183 ( 6.710 4.428 -4.818) 9.373 10.780 ( -11.545 -7.987 1.770) 14.149 11.290 ( -1.379 11.280 3.487) 11.886 11.727 ( -11.450 1.333 0.871) 11.560 12.632 ( 18.290 -10.759 5.658) 21.961 13.158 ( 2.178 3.637 6.589) 7.835 14.789 ( 6.438 -0.552 -2.458) 6.913 15.395 ( -12.537 -5.999 -1.237) 13.954 16.053 ( 2.037 -3.620 14.793) 15.365 16.294 ( -8.175 2.387 10.218) 13.301 17.382 ( 8.272 5.351 -2.603) 10.190 17.649 ( -3.967 9.794 -7.813) 13.141 19.507 ( 17.281 0.235 -9.286) 19.619 20.278 ( -17.914 -0.282 -16.154) 24.123 23.596 ( 3.430 -3.938 -0.410) 5.239 23.686 ( 0.420 0.349 -1.094) 1.222 23.758 ( 4.114 -0.801 -2.654) 4.961 24.085 ( -7.853 -1.510 -0.017) 7.997 24.766 ( -0.824 -2.343 2.342) 3.414 24.836 ( -2.726 1.598 -1.441) 3.473 27.050 ( 0.975 -2.308 3.217) 4.077 27.065 ( 0.508 2.428 3.718) 4.469 ======================= Grid point 360 (132/144) ======================= q-point: (-0.50 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 -2.459 7.956) 8.327 1.513 ( 0.000 2.811 7.380) 7.897 1.753 ( -0.000 1.862 -9.480) 9.661 1.795 ( 0.000 2.447 -4.864) 5.445 2.254 ( 0.000 1.731 4.251) 4.590 2.344 ( 0.000 3.112 -1.096) 3.300 2.863 ( 0.000 1.479 0.329) 1.515 2.945 ( -0.000 8.572 -4.095) 9.500 4.838 ( 0.000 -23.583 4.133) 23.942 4.888 ( -0.000 -21.792 3.760) 22.114 5.793 ( -0.000 -13.603 -2.792) 13.887 5.909 ( 0.000 -18.565 -4.689) 19.148 6.540 ( 0.000 5.813 14.167) 15.313 6.777 ( -0.000 10.883 11.326) 15.707 7.123 ( 0.000 -13.076 -13.914) 19.094 7.197 ( 0.000 -9.969 -9.645) 13.871 7.983 ( -0.000 16.227 8.482) 18.310 8.187 ( 0.000 21.108 -0.916) 21.128 9.031 ( 0.000 5.769 0.883) 5.836 9.150 ( -0.000 10.916 -6.095) 12.503 10.360 ( 0.000 -0.375 1.781) 1.820 10.498 ( 0.000 4.679 -4.612) 6.570 11.422 ( 0.000 1.628 5.028) 5.285 11.515 ( -0.000 4.970 -0.629) 5.010 12.939 ( -0.000 -8.327 8.992) 12.255 13.050 ( 0.000 -4.370 4.103) 5.994 15.032 ( 0.000 2.387 -1.910) 3.057 15.086 ( -0.000 4.445 -3.739) 5.808 16.126 ( -0.000 -5.455 14.362) 15.364 16.171 ( 0.000 -4.207 12.847) 13.519 17.501 ( 0.000 6.407 -4.259) 7.693 17.574 ( -0.000 9.075 -5.772) 10.755 19.866 ( 0.000 -1.082 -12.659) 12.705 19.913 ( -0.000 1.323 -13.645) 13.709 23.637 ( -0.000 -2.456 0.195) 2.463 23.674 ( 0.000 -0.556 -1.945) 2.023 23.895 ( 0.000 -2.346 -0.264) 2.361 23.918 ( -0.000 -1.136 -1.583) 1.949 24.770 ( -0.000 -0.391 0.614) 0.728 24.797 ( 0.000 0.868 -0.702) 1.116 27.065 ( -0.000 -0.321 3.494) 3.509 27.067 ( 0.000 -0.191 3.395) 3.401 ======================= Grid point 364 (133/144) ======================= q-point: ( 0.00 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 -3.416 -0.000) 3.416 1.277 ( 0.000 -9.631 -0.000) 9.631 1.693 ( 0.000 6.510 0.000) 6.510 1.815 ( 0.000 -4.700 -0.000) 4.700 2.361 ( 0.000 -7.448 -0.000) 7.448 2.742 ( 0.000 -1.303 -0.000) 1.303 2.948 ( 0.000 8.663 0.000) 8.663 3.821 ( 0.000 -24.003 -0.000) 24.003 4.371 ( 0.000 -22.868 -0.000) 22.868 5.322 ( 0.000 -26.787 -0.000) 26.787 5.775 ( 0.000 -17.291 -0.000) 17.291 5.999 ( 0.000 -18.703 -0.000) 18.703 6.157 ( 0.000 14.048 0.000) 14.048 6.835 ( 0.000 -12.144 -0.000) 12.144 6.900 ( 0.000 -1.532 -0.000) 1.532 7.296 ( 0.000 -1.242 -0.000) 1.242 8.053 ( 0.000 31.421 0.000) 31.421 8.122 ( 0.000 4.144 0.000) 4.144 8.440 ( 0.000 20.752 0.000) 20.752 9.628 ( 0.000 21.648 0.000) 21.648 10.106 ( 0.000 9.965 0.000) 9.965 10.673 ( 0.000 -10.938 -0.000) 10.938 11.868 ( 0.000 -8.525 -0.000) 8.525 11.987 ( 0.000 -0.571 -0.000) 0.571 12.358 ( 0.000 3.685 0.000) 3.685 12.787 ( 0.000 19.257 0.000) 19.257 14.835 ( 0.000 -9.836 -0.000) 9.836 15.136 ( 0.000 -28.339 -0.000) 28.339 16.317 ( 0.000 -1.459 -0.000) 1.459 16.850 ( 0.000 27.450 0.000) 27.450 17.040 ( 0.000 -6.629 -0.000) 6.629 17.781 ( 0.000 14.272 0.000) 14.272 19.087 ( 0.000 -1.162 -0.000) 1.162 20.488 ( 0.000 0.664 0.000) 0.664 23.405 ( 0.000 -7.070 -0.000) 7.070 23.640 ( 0.000 0.791 0.000) 0.791 23.727 ( 0.000 0.322 0.000) 0.322 24.212 ( 0.000 -0.777 -0.000) 0.777 24.820 ( 0.000 -8.856 -0.000) 8.856 24.913 ( 0.000 3.458 0.000) 3.458 27.000 ( 0.000 -6.367 -0.000) 6.367 27.158 ( 0.000 9.003 0.000) 9.003 ======================= Grid point 365 (134/144) ======================= q-point: ( 0.17 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -1.007 -4.786 -0.000) 4.891 1.293 ( 4.585 -6.524 -0.000) 7.974 1.580 ( -4.057 -1.377 -0.000) 4.284 1.926 ( 6.844 3.095 0.000) 7.511 2.320 ( -3.878 -6.520 -0.000) 7.586 2.653 ( -7.811 0.494 0.000) 7.827 2.870 ( -6.256 5.202 0.000) 8.136 3.765 ( -8.583 -13.221 -0.000) 15.763 4.340 ( -1.175 -22.047 -0.000) 22.078 5.260 ( -8.122 -27.017 -0.000) 28.212 5.644 ( -6.775 -12.098 -0.000) 13.866 5.931 ( -7.622 -20.600 -0.000) 21.964 6.301 ( 12.132 5.976 0.000) 13.524 6.761 ( -2.674 -12.650 -0.000) 12.929 6.971 ( 2.535 -8.634 -0.000) 8.999 7.274 ( -3.190 4.902 0.000) 5.848 8.078 ( 3.273 32.315 0.000) 32.481 8.286 ( 13.709 3.333 0.000) 14.109 8.480 ( 4.935 20.352 0.000) 20.942 9.579 ( -4.969 19.627 0.000) 20.246 10.119 ( 1.806 9.493 0.000) 9.664 10.725 ( 4.151 -10.720 -0.000) 11.496 11.740 ( -19.828 9.250 0.000) 21.880 11.891 ( -2.710 -2.505 -0.000) 3.690 12.293 ( 5.325 -7.366 -0.000) 9.089 13.092 ( 17.816 13.526 0.000) 22.368 14.728 ( -5.721 -9.370 -0.000) 10.978 15.253 ( 7.408 -22.723 -0.000) 23.900 16.268 ( -4.708 0.201 0.000) 4.712 16.628 ( -14.463 9.580 0.000) 17.348 17.229 ( 11.682 6.698 0.000) 13.466 17.759 ( -2.172 13.629 0.000) 13.801 19.178 ( 8.994 -0.192 -0.000) 8.996 20.389 ( -9.768 0.548 0.000) 9.783 23.447 ( 4.094 -6.797 -0.000) 7.935 23.655 ( 1.476 0.800 0.000) 1.679 23.716 ( -0.942 -0.032 -0.000) 0.942 24.182 ( -3.407 -1.377 -0.000) 3.675 24.790 ( -2.317 -7.101 -0.000) 7.470 24.893 ( -1.961 3.438 0.000) 3.958 27.013 ( 1.321 -5.761 -0.000) 5.910 27.151 ( -0.677 7.220 0.000) 7.251 ======================= Grid point 366 (135/144) ======================= q-point: ( 0.33 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 11.905 -0.319 -0.000) 11.909 1.445 ( 8.060 -3.095 -0.000) 8.634 1.587 ( 2.509 -2.070 -0.000) 3.253 1.998 ( -4.241 5.215 0.000) 6.722 2.255 ( 0.683 -0.923 -0.000) 1.148 2.492 ( -7.763 2.861 0.000) 8.274 2.776 ( -0.845 2.764 0.000) 2.890 3.413 ( -25.078 5.498 0.000) 25.673 4.412 ( 8.901 -25.679 -0.000) 27.178 5.002 ( -16.540 -26.011 -0.000) 30.824 5.582 ( -0.132 -15.249 -0.000) 15.249 5.763 ( -8.208 -19.836 -0.000) 21.467 6.554 ( 12.295 -2.964 -0.000) 12.647 6.750 ( 0.747 -20.105 -0.000) 20.119 6.991 ( 0.273 -6.212 -0.000) 6.218 7.161 ( -7.550 10.401 0.000) 12.852 8.183 ( 7.142 29.527 0.000) 30.378 8.416 ( -0.800 17.248 0.000) 17.267 8.766 ( 21.197 8.470 0.000) 22.827 9.429 ( -10.474 14.858 0.000) 18.179 10.209 ( 8.163 8.184 0.000) 11.559 10.727 ( -7.831 -5.646 -0.000) 9.654 11.434 ( -5.300 10.845 0.000) 12.071 11.752 ( -10.495 2.227 0.000) 10.728 12.571 ( 19.744 -11.914 -0.000) 23.060 13.245 ( -4.371 0.898 0.000) 4.462 14.760 ( 10.525 0.616 0.000) 10.543 15.306 ( -4.365 -9.945 -0.000) 10.861 16.171 ( -2.907 -0.434 -0.000) 2.939 16.375 ( -10.613 -3.635 -0.000) 11.219 17.439 ( 9.385 9.559 0.000) 13.396 17.698 ( -4.081 12.237 0.000) 12.900 19.425 ( 15.586 1.098 0.000) 15.625 20.123 ( -16.590 0.642 0.000) 16.603 23.548 ( 5.333 -5.278 -0.000) 7.503 23.674 ( -1.235 -0.256 -0.000) 1.262 23.727 ( 4.381 -0.797 -0.000) 4.453 24.063 ( -8.524 -2.917 -0.000) 9.009 24.762 ( -0.039 -2.669 -0.000) 2.669 24.843 ( -2.905 2.921 0.000) 4.119 27.049 ( 2.141 -3.951 -0.000) 4.494 27.130 ( -1.518 3.182 0.000) 3.526 ======================= Grid point 367 (136/144) ======================= q-point: (-0.50 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.219 -1.298 0.000) 1.317 1.536 ( 0.219 -1.298 0.000) 1.317 1.712 ( -12.856 3.914 0.000) 13.439 1.712 ( 12.856 3.914 0.000) 13.439 2.353 ( -4.769 4.052 0.000) 6.258 2.353 ( 4.769 4.052 0.000) 6.258 2.942 ( -14.303 7.034 0.000) 15.939 2.942 ( 14.303 7.034 0.000) 15.939 4.667 ( -14.485 -26.126 -0.000) 29.873 4.667 ( 14.485 -26.126 -0.000) 29.873 5.631 ( -2.724 -18.359 0.000) 18.560 5.631 ( 2.724 -18.359 0.000) 18.560 6.732 ( -0.703 -17.530 0.000) 17.544 6.732 ( 0.703 -17.530 0.000) 17.544 7.026 ( -1.596 7.274 0.000) 7.447 7.026 ( 1.596 7.274 0.000) 7.447 8.331 ( -2.164 23.294 0.000) 23.394 8.331 ( 2.164 23.294 0.000) 23.394 9.158 ( -13.642 9.814 0.000) 16.805 9.158 ( 13.642 9.814 0.000) 16.805 10.451 ( -11.006 4.639 0.000) 11.944 10.451 ( 11.006 4.639 0.000) 11.944 11.528 ( -8.177 4.527 0.000) 9.347 11.528 ( 8.177 4.527 0.000) 9.347 12.979 ( -16.426 -8.777 0.000) 18.624 12.979 ( 16.426 -8.777 0.000) 18.624 15.069 ( -15.912 3.415 0.000) 16.275 15.069 ( 15.912 3.415 0.000) 16.275 16.209 ( -4.521 -7.104 0.000) 8.421 16.209 ( 4.521 -7.104 0.000) 8.421 17.595 ( -3.350 10.848 0.000) 11.354 17.595 ( 3.350 10.848 0.000) 11.354 19.768 ( -17.033 1.151 0.000) 17.072 19.768 ( 17.033 1.151 0.000) 17.072 23.630 ( -1.660 -2.128 0.000) 2.698 23.630 ( 1.660 -2.128 0.000) 2.698 23.874 ( -9.183 -2.950 -0.000) 9.645 23.874 ( 9.183 -2.950 -0.000) 9.645 24.788 ( -1.334 1.085 0.000) 1.719 24.788 ( 1.334 1.085 0.000) 1.719 27.093 ( -2.155 -0.913 -0.000) 2.340 27.093 ( 2.155 -0.913 -0.000) 2.340 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.00 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 0.000 -9.328) 9.328 1.488 ( 0.000 -0.000 3.360) 3.360 1.541 ( 0.000 0.000 -4.157) 4.157 1.882 ( 0.000 -0.000 2.527) 2.527 2.494 ( 0.000 0.000 -0.320) 0.320 2.676 ( 0.000 0.000 -0.679) 0.679 2.859 ( 0.000 0.000 -0.208) 0.208 4.238 ( 0.000 -0.000 3.763) 3.763 4.630 ( 0.000 -0.000 1.493) 1.493 5.825 ( 0.000 -0.000 8.936) 8.936 5.876 ( 0.000 -0.000 8.194) 8.194 6.011 ( 0.000 -0.000 2.371) 2.371 6.537 ( 0.000 -0.000 10.997) 10.997 6.650 ( 0.000 0.000 -3.440) 3.440 6.697 ( 0.000 0.000 -0.411) 0.411 7.650 ( 0.000 0.000 -8.604) 8.604 7.761 ( 0.000 0.000 -12.207) 12.207 7.794 ( 0.000 -0.000 13.194) 13.194 8.267 ( 0.000 0.000 -12.054) 12.054 9.165 ( 0.000 -0.000 2.503) 2.503 10.069 ( 0.000 0.000 -11.646) 11.646 10.775 ( 0.000 -0.000 7.759) 7.759 11.952 ( 0.000 -0.000 2.471) 2.471 12.116 ( 0.000 0.000 -4.811) 4.811 12.217 ( 0.000 -0.000 8.796) 8.796 12.366 ( 0.000 -0.000 4.767) 4.767 14.960 ( 0.000 -0.000 4.345) 4.345 15.961 ( 0.000 -0.000 8.833) 8.833 16.086 ( 0.000 0.000 -13.848) 13.848 16.128 ( 0.000 -0.000 20.984) 20.984 17.182 ( 0.000 -0.000 5.320) 5.320 17.588 ( 0.000 0.000 -14.249) 14.249 19.146 ( 0.000 0.000 -4.156) 4.156 20.672 ( 0.000 0.000 -19.341) 19.341 23.549 ( 0.000 0.000 -2.008) 2.008 23.613 ( 0.000 0.000 -0.236) 0.236 23.752 ( 0.000 0.000 -3.270) 3.270 24.226 ( 0.000 0.000 -0.583) 0.583 24.889 ( 0.000 0.000 -2.303) 2.303 24.905 ( 0.000 -0.000 7.501) 7.501 26.975 ( 0.000 -0.000 3.250) 3.250 27.064 ( 0.000 -0.000 3.124) 3.124 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.17 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -4.275 0.000 -3.283) 5.390 1.521 ( 2.837 -0.000 3.551) 4.545 1.540 ( 1.748 0.000 -8.384) 8.564 1.891 ( 0.900 -0.000 2.965) 3.099 2.444 ( -5.091 0.000 -1.227) 5.237 2.574 ( -8.896 0.000 -0.355) 8.903 2.821 ( -3.330 0.000 -0.201) 3.336 3.918 ( -28.882 -0.000 2.967) 29.034 4.689 ( 5.829 -0.000 0.847) 5.890 5.679 ( -10.032 -0.000 6.459) 11.931 5.971 ( -1.972 -0.000 0.866) 2.154 6.027 ( 8.389 -0.000 8.197) 11.729 6.530 ( 0.015 -0.000 12.585) 12.585 6.570 ( -6.977 0.000 -1.000) 7.048 6.906 ( 16.821 0.000 -0.469) 16.828 7.569 ( -9.528 0.000 -7.684) 12.240 7.634 ( -0.835 0.000 -8.509) 8.550 7.975 ( 7.342 -0.000 8.331) 11.105 8.394 ( 12.626 0.000 -11.372) 16.992 9.158 ( -0.828 -0.000 1.610) 1.810 10.069 ( 0.714 0.000 -10.006) 10.032 10.881 ( 9.956 -0.000 6.262) 11.761 11.516 ( -31.759 -0.000 2.240) 31.838 11.911 ( -7.145 -0.000 1.028) 7.219 12.481 ( 11.199 -0.000 5.145) 12.325 12.728 ( 25.198 -0.000 3.693) 25.467 14.877 ( -6.730 -0.000 2.497) 7.179 15.837 ( -17.358 0.000 -3.374) 17.683 16.020 ( 5.057 -0.000 10.869) 11.987 16.231 ( 3.061 -0.000 12.278) 12.654 17.227 ( 4.332 -0.000 2.795) 5.155 17.577 ( -1.129 0.000 -13.175) 13.223 19.239 ( 9.404 0.000 -5.801) 11.049 20.568 ( -10.338 0.000 -18.722) 21.387 23.590 ( 4.003 0.000 -1.598) 4.310 23.621 ( 0.801 0.000 -0.355) 0.876 23.747 ( -0.364 0.000 -3.198) 3.219 24.200 ( -2.920 0.000 -0.320) 2.938 24.862 ( -3.676 -0.000 6.178) 7.189 24.868 ( -2.001 0.000 -2.047) 2.862 26.996 ( 1.907 -0.000 3.272) 3.788 27.068 ( 0.291 -0.000 3.148) 3.162 ======================= Grid point 431 (139/144) ======================= q-point: ( 0.33 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.884 -0.000 2.300) 3.689 1.563 ( -0.003 -0.000 4.929) 4.929 1.625 ( 5.807 0.000 -8.851) 10.586 1.897 ( -2.097 -0.000 2.217) 3.052 2.305 ( -7.407 0.000 -2.956) 7.975 2.398 ( -7.926 -0.000 0.749) 7.961 2.764 ( -1.030 0.000 -1.175) 1.562 3.285 ( -30.646 -0.000 0.839) 30.658 4.852 ( 10.622 -0.000 0.186) 10.624 5.421 ( -15.684 -0.000 3.087) 15.985 5.982 ( 3.236 0.000 -0.763) 3.324 6.145 ( 1.855 -0.000 2.742) 3.311 6.447 ( -3.117 -0.000 7.853) 8.449 6.525 ( -1.092 -0.000 14.681) 14.721 7.200 ( 9.892 0.000 -4.961) 11.066 7.410 ( -6.547 0.000 -10.730) 12.570 7.682 ( 7.633 0.000 -4.190) 8.708 8.027 ( -2.290 -0.000 6.316) 6.718 8.711 ( 17.247 0.000 -6.045) 18.276 9.120 ( -3.535 0.000 -0.636) 3.592 10.140 ( 7.667 0.000 -6.442) 10.014 10.907 ( -29.156 -0.000 1.375) 29.189 11.132 ( 14.789 -0.000 3.992) 15.318 11.716 ( -12.490 -0.000 1.420) 12.571 12.768 ( 16.546 -0.000 5.995) 17.599 13.089 ( 9.276 -0.000 5.465) 10.766 14.802 ( 2.107 0.000 -1.573) 2.630 15.438 ( -22.355 0.000 -4.596) 22.823 16.124 ( 4.928 -0.000 14.379) 15.200 16.247 ( -0.961 -0.000 15.919) 15.948 17.337 ( 6.338 0.000 -1.942) 6.628 17.539 ( -2.962 0.000 -10.264) 10.683 19.506 ( 17.210 0.000 -9.667) 19.740 20.282 ( -18.138 0.000 -16.850) 24.757 23.643 ( 1.342 0.000 -0.672) 1.501 23.675 ( 2.261 0.000 -0.718) 2.372 23.767 ( 4.524 0.000 -2.722) 5.280 24.099 ( -7.455 -0.000 0.069) 7.455 24.796 ( -2.261 -0.000 3.041) 3.790 24.821 ( -2.435 0.000 -1.243) 2.733 27.038 ( 1.985 -0.000 3.300) 3.851 27.073 ( 0.094 -0.000 3.212) 3.213 ======================= Grid point 433 (140/144) ======================= q-point: (-0.50 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -12.166 0.000 7.444) 14.262 1.437 ( 12.166 0.000 7.444) 14.262 1.754 ( -7.931 0.000 -6.753) 10.416 1.754 ( 7.931 0.000 -6.753) 10.416 2.273 ( -2.273 0.000 0.354) 2.300 2.273 ( 2.273 0.000 0.354) 2.300 2.854 ( -11.880 0.000 -1.350) 11.956 2.854 ( 11.880 0.000 -1.350) 11.956 5.107 ( -14.764 -0.000 0.796) 14.786 5.107 ( 14.764 -0.000 0.796) 14.786 6.082 ( -1.709 0.000 -1.751) 2.447 6.082 ( 1.709 0.000 -1.751) 2.447 6.475 ( -0.579 0.000 15.044) 15.055 6.475 ( 0.579 0.000 15.044) 15.055 7.310 ( -2.823 0.000 -10.822) 11.184 7.310 ( 2.823 0.000 -10.822) 11.184 7.893 ( -6.437 0.000 2.763) 7.005 7.893 ( 6.437 0.000 2.763) 7.005 8.992 ( -8.599 0.000 -3.047) 9.123 8.992 ( 8.599 0.000 -3.047) 9.123 10.410 ( -18.690 0.000 -1.715) 18.769 10.410 ( 18.690 0.000 -1.715) 18.769 11.436 ( -14.555 0.000 2.320) 14.738 11.436 ( 14.555 0.000 2.320) 14.738 13.060 ( -9.150 0.000 6.627) 11.298 13.060 ( 9.150 0.000 6.627) 11.298 15.015 ( -18.168 0.000 -4.387) 18.690 15.015 ( 18.168 0.000 -4.387) 18.690 16.205 ( -2.403 -0.000 16.483) 16.657 16.205 ( 2.403 -0.000 16.483) 16.657 17.456 ( -4.176 0.000 -6.352) 7.601 17.456 ( 4.176 0.000 -6.352) 7.601 19.889 ( -20.628 0.000 -13.741) 24.786 19.889 ( 20.628 0.000 -13.741) 24.786 23.670 ( -0.751 0.000 -1.025) 1.271 23.670 ( 0.751 0.000 -1.025) 1.271 23.923 ( -9.453 0.000 -0.650) 9.476 23.923 ( 9.453 0.000 -0.650) 9.476 24.784 ( -0.508 0.000 0.319) 0.600 24.784 ( 0.508 0.000 0.319) 0.600 27.066 ( -0.843 -0.000 3.279) 3.386 27.066 ( 0.843 -0.000 3.279) 3.386 ======================= Grid point 441 (141/144) ======================= q-point: ( 0.00 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 -0.650 -0.000) 0.650 1.443 ( 0.000 -7.209 -0.000) 7.209 1.572 ( 0.000 5.936 0.000) 5.936 1.893 ( 0.000 -2.508 -0.000) 2.508 2.471 ( 0.000 -3.658 -0.000) 3.658 2.691 ( 0.000 4.237 0.000) 4.237 2.864 ( 0.000 0.855 0.000) 0.855 4.205 ( 0.000 -12.911 -0.000) 12.911 4.634 ( 0.000 -3.409 -0.000) 3.409 5.801 ( 0.000 -18.653 -0.000) 18.653 5.963 ( 0.000 3.592 0.000) 3.592 6.012 ( 0.000 -5.004 -0.000) 5.004 6.412 ( 0.000 -23.496 -0.000) 23.496 6.715 ( 0.000 11.067 0.000) 11.067 6.879 ( 0.000 15.648 0.000) 15.648 7.504 ( 0.000 -10.872 -0.000) 10.872 7.655 ( 0.000 4.541 0.000) 4.541 8.013 ( 0.000 5.640 0.000) 5.640 8.136 ( 0.000 8.620 0.000) 8.620 9.254 ( 0.000 12.681 0.000) 12.681 9.975 ( 0.000 3.249 0.000) 3.249 10.829 ( 0.000 -4.190 -0.000) 4.190 11.982 ( 0.000 -0.562 -0.000) 0.562 12.029 ( 0.000 -5.582 -0.000) 5.582 12.305 ( 0.000 1.483 0.000) 1.483 12.468 ( 0.000 11.062 0.000) 11.062 14.980 ( 0.000 -4.157 -0.000) 4.157 15.707 ( 0.000 -29.074 -0.000) 29.074 16.292 ( 0.000 28.728 0.000) 28.728 16.324 ( 0.000 0.193 0.000) 0.193 17.192 ( 0.000 -7.681 -0.000) 7.681 17.519 ( 0.000 10.718 0.000) 10.718 19.103 ( 0.000 -0.398 -0.000) 0.398 20.482 ( 0.000 0.043 0.000) 0.043 23.512 ( 0.000 -3.473 -0.000) 3.473 23.618 ( 0.000 1.236 0.000) 1.236 23.722 ( 0.000 0.107 0.000) 0.107 24.220 ( 0.000 -0.153 -0.000) 0.153 24.873 ( 0.000 0.873 0.000) 0.873 24.955 ( 0.000 -3.965 -0.000) 3.965 27.024 ( 0.000 3.833 0.000) 3.833 27.082 ( 0.000 -2.043 -0.000) 2.043 ======================= Grid point 442 (142/144) ======================= q-point: ( 0.17 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 1.976 -0.732 -0.000) 2.108 1.419 ( -1.279 -4.922 -0.000) 5.086 1.567 ( 1.309 1.977 0.000) 2.371 1.915 ( 1.967 -0.755 -0.000) 2.106 2.414 ( -5.658 -3.138 -0.000) 6.470 2.591 ( -8.569 3.850 0.000) 9.394 2.822 ( -3.801 0.436 0.000) 3.826 3.928 ( -26.631 -3.760 -0.000) 26.895 4.658 ( 3.948 -8.338 -0.000) 9.226 5.680 ( -11.534 -11.449 -0.000) 16.251 5.890 ( -1.690 -13.333 -0.000) 13.440 6.118 ( 3.462 1.916 0.000) 3.957 6.441 ( 2.472 -18.964 -0.000) 19.124 6.738 ( 2.472 10.579 0.000) 10.864 6.975 ( 8.073 8.800 0.000) 11.942 7.420 ( -7.703 -10.099 -0.000) 12.702 7.603 ( -0.578 10.880 0.000) 10.896 8.151 ( 1.386 7.598 0.000) 7.723 8.255 ( 19.147 3.064 0.000) 19.391 9.234 ( -2.098 11.819 0.000) 12.004 9.989 ( 2.031 3.301 0.000) 3.876 10.910 ( 7.292 -6.169 -0.000) 9.552 11.566 ( -29.421 6.237 0.000) 30.075 11.920 ( -6.642 -0.635 -0.000) 6.673 12.472 ( 12.180 -9.025 -0.000) 15.159 12.828 ( 23.493 11.371 0.000) 26.100 14.877 ( -8.244 -4.581 -0.000) 9.431 15.670 ( -7.037 -17.422 -0.000) 18.789 16.184 ( -2.367 8.592 0.000) 8.912 16.413 ( 2.603 7.398 0.000) 7.842 17.232 ( 3.871 -4.384 -0.000) 5.849 17.512 ( -0.748 9.857 0.000) 9.885 19.182 ( 8.001 -0.116 -0.000) 8.002 20.385 ( -9.740 0.041 0.000) 9.740 23.553 ( 3.885 -3.785 -0.000) 5.424 23.629 ( 1.273 1.664 0.000) 2.095 23.718 ( -0.391 -0.058 -0.000) 0.395 24.196 ( -2.751 -0.234 -0.000) 2.761 24.854 ( -1.794 0.825 0.000) 1.974 24.904 ( -4.565 -3.413 -0.000) 5.700 27.042 ( 1.617 3.178 0.000) 3.565 27.087 ( 0.437 -1.799 -0.000) 1.851 ======================= Grid point 443 (143/144) ======================= q-point: ( 0.33 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 6.055 -0.840 -0.000) 6.113 1.500 ( 6.818 -2.085 -0.000) 7.130 1.611 ( 1.946 -0.420 -0.000) 1.991 1.926 ( -4.541 1.804 0.000) 4.886 2.273 ( -6.184 -0.640 -0.000) 6.217 2.421 ( -7.720 2.970 0.000) 8.271 2.753 ( -1.541 0.103 0.000) 1.544 3.310 ( -31.301 3.458 0.000) 31.492 4.800 ( 10.293 -11.022 -0.000) 15.081 5.392 ( -16.988 -10.984 -0.000) 20.230 5.893 ( 2.374 -13.842 -0.000) 14.044 6.098 ( -4.795 -11.821 -0.000) 12.756 6.542 ( 7.791 0.987 0.000) 7.853 6.776 ( 0.068 14.454 0.000) 14.454 7.089 ( 2.449 -8.799 -0.000) 9.134 7.261 ( -7.507 -7.484 -0.000) 10.600 7.715 ( 11.762 13.942 0.000) 18.241 8.132 ( -4.127 8.508 0.000) 9.457 8.665 ( 20.242 2.590 0.000) 20.407 9.162 ( -5.610 9.305 0.000) 10.866 10.093 ( 9.651 3.009 0.000) 10.109 10.876 ( -22.530 -7.223 -0.000) 23.660 11.221 ( 6.644 8.742 0.000) 10.981 11.732 ( -12.049 0.309 0.000) 12.052 12.780 ( 17.837 -7.910 -0.000) 19.512 13.167 ( 7.978 5.069 0.000) 9.452 14.778 ( 1.396 -1.487 -0.000) 2.039 15.385 ( -19.886 0.065 0.000) 19.886 16.234 ( 5.467 -4.832 -0.000) 7.296 16.415 ( -2.113 0.563 0.000) 2.187 17.329 ( 5.439 1.301 0.000) 5.592 17.486 ( -2.005 7.744 0.000) 8.000 19.412 ( 15.109 0.282 0.000) 15.111 20.116 ( -16.866 0.119 0.000) 16.867 23.624 ( 2.226 -2.328 -0.000) 3.221 23.671 ( 0.958 0.511 0.000) 1.086 23.741 ( 5.541 -0.449 -0.000) 5.559 24.096 ( -7.546 -0.661 -0.000) 7.575 24.813 ( -2.050 0.517 0.000) 2.114 24.816 ( -3.362 -1.869 -0.000) 3.846 27.076 ( 1.574 1.672 0.000) 2.296 27.096 ( 0.372 -1.074 -0.000) 1.137 ======================= Grid point 444 (144/144) ======================= q-point: (-0.50 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -3.779 -2.239 0.000) 4.392 1.570 ( 3.779 -2.239 0.000) 4.392 1.636 ( -3.455 3.449 0.000) 4.882 1.636 ( 3.455 3.449 0.000) 4.882 2.288 ( -4.349 1.972 0.000) 4.775 2.288 ( 4.349 1.972 0.000) 4.775 2.851 ( -13.367 2.239 0.000) 13.554 2.851 ( 13.367 2.239 0.000) 13.554 5.058 ( -15.331 -11.123 -0.000) 18.941 5.058 ( 15.331 -11.123 -0.000) 18.941 5.981 ( -2.604 -14.796 0.000) 15.023 5.981 ( 2.604 -14.796 0.000) 15.023 6.704 ( -2.527 11.258 0.000) 11.538 6.704 ( 2.527 11.258 0.000) 11.538 7.141 ( -2.067 -9.560 0.000) 9.781 7.141 ( 2.067 -9.560 0.000) 9.781 7.972 ( -8.475 10.589 0.000) 13.564 7.972 ( 8.475 10.589 0.000) 13.564 8.992 ( -11.320 5.613 0.000) 12.635 8.992 ( 11.320 5.613 0.000) 12.635 10.399 ( -20.310 1.023 0.000) 20.336 10.399 ( 20.310 1.023 0.000) 20.336 11.467 ( -13.680 1.599 0.000) 13.773 11.467 ( 13.680 1.599 0.000) 13.773 13.103 ( -11.452 -3.436 0.000) 11.956 13.103 ( 11.452 -3.436 0.000) 11.956 14.985 ( -17.881 3.138 0.000) 18.155 14.985 ( 17.881 3.138 0.000) 18.155 16.343 ( -4.237 -4.575 0.000) 6.236 16.343 ( 4.237 -4.575 0.000) 6.236 17.426 ( -2.644 5.115 0.000) 5.758 17.426 ( 2.644 5.115 0.000) 5.758 19.755 ( -18.668 0.300 0.000) 18.671 19.755 ( 18.668 0.300 0.000) 18.671 23.657 ( -0.963 -0.655 0.000) 1.165 23.657 ( 0.963 -0.655 0.000) 1.165 23.914 ( -10.094 -0.991 -0.000) 10.143 23.914 ( 10.094 -0.991 -0.000) 10.143 24.787 ( -0.050 -0.318 0.000) 0.322 24.787 ( 0.050 -0.318 0.000) 0.322 27.096 ( -0.463 0.113 0.000) 0.477 27.096 ( 0.463 0.113 0.000) 0.477 =================== 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 3/30492 10.0 170.950 218.533 150.408 0.000 0.000 -0.000 3/30492 20.0 35.180 34.325 30.345 0.000 0.000 -0.000 3/30492 30.0 16.747 15.371 14.700 0.000 0.000 -0.000 3/30492 40.0 10.724 9.889 9.338 0.000 0.000 -0.000 3/30492 50.0 7.912 7.642 6.873 0.000 0.000 -0.000 3/30492 60.0 6.320 6.511 5.532 0.000 0.000 -0.000 3/30492 70.0 5.304 5.838 4.709 0.000 0.000 -0.000 3/30492 80.0 4.601 5.378 4.152 0.000 0.000 -0.000 3/30492 90.0 4.087 5.028 3.748 0.000 0.000 -0.000 3/30492 100.0 3.694 4.740 3.437 0.000 0.000 -0.000 3/30492 110.0 3.383 4.491 3.188 0.000 0.000 -0.000 3/30492 120.0 3.131 4.271 2.982 0.000 0.000 -0.000 3/30492 130.0 2.922 4.071 2.808 0.000 0.000 -0.000 3/30492 140.0 2.745 3.889 2.658 0.000 0.000 -0.000 3/30492 150.0 2.594 3.722 2.527 0.000 0.000 0.000 3/30492 160.0 2.462 3.569 2.411 0.000 0.000 0.000 3/30492 170.0 2.346 3.427 2.308 0.000 0.000 0.000 3/30492 180.0 2.242 3.295 2.214 0.000 0.000 0.000 3/30492 190.0 2.149 3.173 2.129 0.000 0.000 0.000 3/30492 200.0 2.065 3.059 2.052 0.000 0.000 0.000 3/30492 210.0 1.989 2.952 1.980 0.000 0.000 0.000 3/30492 220.0 1.918 2.853 1.914 0.000 0.000 0.000 3/30492 230.0 1.853 2.760 1.852 0.000 0.000 0.000 3/30492 240.0 1.793 2.673 1.795 0.000 0.000 0.000 3/30492 250.0 1.737 2.591 1.741 0.000 0.000 0.000 3/30492 260.0 1.684 2.514 1.690 0.000 0.000 0.000 3/30492 270.0 1.635 2.441 1.643 0.000 0.000 0.000 3/30492 280.0 1.588 2.372 1.598 0.000 0.000 0.000 3/30492 290.0 1.545 2.307 1.556 0.000 0.000 0.000 3/30492 300.0 1.503 2.246 1.515 0.000 0.000 0.000 3/30492 310.0 1.464 2.187 1.477 0.000 0.000 0.000 3/30492 320.0 1.427 2.131 1.441 0.000 0.000 0.000 3/30492 330.0 1.391 2.078 1.406 0.000 0.000 0.000 3/30492 340.0 1.358 2.028 1.373 0.000 0.000 0.000 3/30492 350.0 1.325 1.980 1.341 0.000 0.000 0.000 3/30492 360.0 1.295 1.934 1.311 0.000 0.000 0.000 3/30492 370.0 1.265 1.890 1.282 0.000 0.000 0.000 3/30492 380.0 1.237 1.848 1.254 0.000 0.000 0.000 3/30492 390.0 1.210 1.807 1.228 0.000 0.000 0.000 3/30492 400.0 1.185 1.769 1.202 0.000 0.000 0.000 3/30492 410.0 1.160 1.732 1.177 0.000 0.000 0.000 3/30492 420.0 1.136 1.696 1.154 0.000 0.000 0.000 3/30492 430.0 1.113 1.662 1.131 0.000 0.000 0.000 3/30492 440.0 1.091 1.629 1.109 0.000 0.000 0.000 3/30492 450.0 1.070 1.597 1.088 0.000 0.000 0.000 3/30492 460.0 1.050 1.567 1.068 0.000 0.000 0.000 3/30492 470.0 1.030 1.537 1.048 0.000 0.000 0.000 3/30492 480.0 1.011 1.509 1.029 0.000 0.000 0.000 3/30492 490.0 0.993 1.482 1.011 0.000 0.000 0.000 3/30492 500.0 0.975 1.455 0.993 0.000 0.000 0.000 3/30492 510.0 0.958 1.430 0.976 0.000 0.000 0.000 3/30492 520.0 0.941 1.405 0.959 0.000 0.000 0.000 3/30492 530.0 0.925 1.381 0.943 0.000 0.000 0.000 3/30492 540.0 0.910 1.358 0.928 0.000 0.000 0.000 3/30492 550.0 0.895 1.336 0.913 0.000 0.000 0.000 3/30492 560.0 0.880 1.314 0.898 0.000 0.000 0.000 3/30492 570.0 0.866 1.293 0.884 0.000 0.000 0.000 3/30492 580.0 0.853 1.273 0.870 0.000 0.000 0.000 3/30492 590.0 0.839 1.253 0.857 0.000 0.000 0.000 3/30492 600.0 0.827 1.234 0.844 0.000 0.000 0.000 3/30492 610.0 0.814 1.215 0.831 0.000 0.000 0.000 3/30492 620.0 0.802 1.197 0.819 0.000 0.000 0.000 3/30492 630.0 0.790 1.179 0.807 0.000 0.000 0.000 3/30492 640.0 0.779 1.162 0.796 0.000 0.000 0.000 3/30492 650.0 0.768 1.146 0.785 0.000 0.000 0.000 3/30492 660.0 0.757 1.130 0.774 0.000 0.000 0.000 3/30492 670.0 0.746 1.114 0.763 0.000 0.000 0.000 3/30492 680.0 0.736 1.099 0.753 0.000 0.000 0.000 3/30492 690.0 0.726 1.084 0.743 0.000 0.000 0.000 3/30492 700.0 0.716 1.069 0.733 0.000 0.000 0.000 3/30492 710.0 0.707 1.055 0.723 0.000 0.000 0.000 3/30492 720.0 0.698 1.041 0.714 0.000 0.000 0.000 3/30492 730.0 0.689 1.028 0.705 0.000 0.000 0.000 3/30492 740.0 0.680 1.015 0.696 0.000 0.000 0.000 3/30492 750.0 0.671 1.002 0.687 0.000 0.000 0.000 3/30492 760.0 0.663 0.990 0.679 0.000 0.000 0.000 3/30492 770.0 0.655 0.978 0.671 0.000 0.000 0.000 3/30492 780.0 0.647 0.966 0.662 0.000 0.000 0.000 3/30492 790.0 0.639 0.954 0.655 0.000 0.000 0.000 3/30492 800.0 0.632 0.943 0.647 0.000 0.000 0.000 3/30492 810.0 0.624 0.932 0.639 0.000 0.000 0.000 3/30492 820.0 0.617 0.921 0.632 0.000 0.000 0.000 3/30492 830.0 0.610 0.910 0.625 0.000 0.000 0.000 3/30492 840.0 0.603 0.900 0.618 0.000 0.000 0.000 3/30492 850.0 0.596 0.890 0.611 0.000 0.000 0.000 3/30492 860.0 0.590 0.880 0.604 0.000 0.000 0.000 3/30492 870.0 0.583 0.871 0.598 0.000 0.000 0.000 3/30492 880.0 0.577 0.861 0.591 0.000 0.000 0.000 3/30492 890.0 0.570 0.852 0.585 0.000 0.000 0.000 3/30492 900.0 0.564 0.843 0.579 0.000 0.000 0.000 3/30492 910.0 0.558 0.834 0.572 0.000 0.000 0.000 3/30492 920.0 0.553 0.825 0.567 0.000 0.000 0.000 3/30492 930.0 0.547 0.817 0.561 0.000 0.000 0.000 3/30492 940.0 0.541 0.808 0.555 0.000 0.000 0.000 3/30492 950.0 0.536 0.800 0.549 0.000 0.000 0.000 3/30492 960.0 0.530 0.792 0.544 0.000 0.000 0.000 3/30492 970.0 0.525 0.784 0.539 0.000 0.000 0.000 3/30492 980.0 0.520 0.776 0.533 0.000 0.000 0.000 3/30492 990.0 0.515 0.769 0.528 0.000 0.000 0.000 3/30492 1000.0 0.510 0.761 0.523 0.000 0.000 0.000 3/30492 Thermal conductivity related properties were written into "kappa-m61111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:02:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|