----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:33:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.850230797622436 -3.492815910000001 0.000000000000000 b 2.850230797622436 3.492815910000001 0.000000000000000 c -2.617402300447949 0.000000000000000 5.510857982516851 Atomic positions (fractional): *1 H 0.73458498196057 0.62822834398302 0.43269174504730 1.008 2 H 0.37177165601698 0.26541501803943 0.06730825495270 1.008 3 H 0.26541501803943 0.37177165601698 0.56730825495270 1.008 4 H 0.62822834398302 0.73458498196057 0.93269174504730 1.008 *5 H 0.10611825317161 0.89388174682839 0.25000000000000 1.008 6 H 0.89388174682839 0.10611825317161 0.75000000000000 1.008 *7 H 0.08826133951672 0.65748849259061 0.86431340954021 1.008 8 H 0.34251150740939 0.91173866048328 0.63568659045979 1.008 9 H 0.91173866048328 0.34251150740939 0.13568659045979 1.008 10 H 0.65748849259061 0.08826133951672 0.36431340954022 1.008 *11 Be 0.67466009221646 0.32533990778354 0.25000000000000 9.012 12 Be 0.32533990778354 0.67466009221646 0.75000000000000 9.012 *13 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.700461595244872 0.000000000000000 0.000000000000000 b 0.000000000000000 6.985631820000002 0.000000000000000 c -2.617402300447949 0.000000000000000 5.510857982516851 Atomic positions (fractional): *1 H 0.68140666297180 0.94682168101123 0.43269174504730 1.008 > 1 2 H 0.31859333702820 0.94682168101123 0.06730825495270 1.008 > 2 3 H 0.31859333702820 0.05317831898877 0.56730825495270 1.008 > 3 4 H 0.68140666297180 0.05317831898877 0.93269174504730 1.008 > 4 *5 H 0.50000000000000 0.39388174682839 0.25000000000000 1.008 > 5 6 H 0.50000000000000 0.60611825317161 0.75000000000000 1.008 > 6 *7 H 0.37287491605367 0.28461357653694 0.86431340954021 1.008 > 7 8 H 0.62712508394633 0.28461357653694 0.63568659045979 1.008 > 8 9 H 0.62712508394633 0.71538642346306 0.13568659045979 1.008 > 9 10 H 0.37287491605367 0.71538642346306 0.36431340954022 1.008 > 10 11 H 0.18140666297180 0.44682168101123 0.43269174504730 1.008 > 1 12 H 0.81859333702820 0.44682168101123 0.06730825495270 1.008 > 2 13 H 0.81859333702820 0.55317831898877 0.56730825495270 1.008 > 3 14 H 0.18140666297180 0.55317831898877 0.93269174504730 1.008 > 4 15 H 0.00000000000000 0.89388174682839 0.25000000000000 1.008 > 5 16 H 0.00000000000000 0.10611825317161 0.75000000000000 1.008 > 6 17 H 0.87287491605367 0.78461357653694 0.86431340954021 1.008 > 7 18 H 0.12712508394633 0.78461357653694 0.63568659045979 1.008 > 8 19 H 0.12712508394633 0.21538642346306 0.13568659045979 1.008 > 9 20 H 0.87287491605367 0.21538642346306 0.36431340954022 1.008 > 10 *21 Be 0.50000000000000 0.82533990778354 0.25000000000000 9.012 > 11 22 Be 0.50000000000000 0.17466009221646 0.75000000000000 9.012 > 12 23 Be 0.00000000000000 0.32533990778354 0.25000000000000 9.012 > 11 24 Be 0.00000000000000 0.67466009221646 0.75000000000000 9.012 > 12 *25 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 13 26 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 14 27 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 13 28 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.400923190489744 0.000000000000000 0.000000000000000 b 0.000000000000000 6.985631820000002 0.000000000000000 c -5.234804600895898 0.000000000000000 11.021715965033701 Atomic positions (fractional): *1 H 0.34070333148590 0.94682168101123 0.21634587252365 1.008 > 1 2 H 0.84070333148590 0.94682168101123 0.21634587252365 1.008 > 1 3 H 0.34070333148590 0.94682168101123 0.71634587252365 1.008 > 1 4 H 0.84070333148590 0.94682168101123 0.71634587252365 1.008 > 1 5 H 0.15929666851410 0.94682168101123 0.03365412747635 1.008 > 2 6 H 0.65929666851410 0.94682168101123 0.03365412747635 1.008 > 2 7 H 0.15929666851410 0.94682168101123 0.53365412747635 1.008 > 2 8 H 0.65929666851410 0.94682168101123 0.53365412747635 1.008 > 2 9 H 0.15929666851410 0.05317831898877 0.28365412747635 1.008 > 3 10 H 0.65929666851410 0.05317831898877 0.28365412747635 1.008 > 3 11 H 0.15929666851410 0.05317831898877 0.78365412747635 1.008 > 3 12 H 0.65929666851410 0.05317831898877 0.78365412747635 1.008 > 3 13 H 0.34070333148590 0.05317831898877 0.46634587252365 1.008 > 4 14 H 0.84070333148590 0.05317831898877 0.46634587252365 1.008 > 4 15 H 0.34070333148590 0.05317831898877 0.96634587252365 1.008 > 4 16 H 0.84070333148590 0.05317831898877 0.96634587252365 1.008 > 4 *17 H 0.25000000000000 0.39388174682839 0.12500000000000 1.008 > 5 18 H 0.75000000000000 0.39388174682839 0.12500000000000 1.008 > 5 19 H 0.25000000000000 0.39388174682839 0.62500000000000 1.008 > 5 20 H 0.75000000000000 0.39388174682839 0.62500000000000 1.008 > 5 21 H 0.25000000000000 0.60611825317161 0.37500000000000 1.008 > 6 22 H 0.75000000000000 0.60611825317161 0.37500000000000 1.008 > 6 23 H 0.25000000000000 0.60611825317161 0.87500000000000 1.008 > 6 24 H 0.75000000000000 0.60611825317161 0.87500000000000 1.008 > 6 *25 H 0.18643745802683 0.28461357653694 0.43215670477011 1.008 > 7 26 H 0.68643745802683 0.28461357653694 0.43215670477011 1.008 > 7 27 H 0.18643745802683 0.28461357653694 0.93215670477011 1.008 > 7 28 H 0.68643745802683 0.28461357653694 0.93215670477011 1.008 > 7 29 H 0.31356254197317 0.28461357653694 0.31784329522989 1.008 > 8 30 H 0.81356254197317 0.28461357653694 0.31784329522989 1.008 > 8 31 H 0.31356254197317 0.28461357653694 0.81784329522989 1.008 > 8 32 H 0.81356254197317 0.28461357653694 0.81784329522989 1.008 > 8 33 H 0.31356254197317 0.71538642346306 0.06784329522989 1.008 > 9 34 H 0.81356254197317 0.71538642346306 0.06784329522989 1.008 > 9 35 H 0.31356254197317 0.71538642346306 0.56784329522989 1.008 > 9 36 H 0.81356254197317 0.71538642346306 0.56784329522989 1.008 > 9 37 H 0.18643745802683 0.71538642346306 0.18215670477011 1.008 > 10 38 H 0.68643745802683 0.71538642346306 0.18215670477011 1.008 > 10 39 H 0.18643745802683 0.71538642346306 0.68215670477011 1.008 > 10 40 H 0.68643745802683 0.71538642346306 0.68215670477011 1.008 > 10 41 H 0.09070333148590 0.44682168101123 0.21634587252365 1.008 > 1 42 H 0.59070333148590 0.44682168101123 0.21634587252365 1.008 > 1 43 H 0.09070333148590 0.44682168101123 0.71634587252365 1.008 > 1 44 H 0.59070333148590 0.44682168101123 0.71634587252365 1.008 > 1 45 H 0.40929666851410 0.44682168101123 0.03365412747635 1.008 > 2 46 H 0.90929666851410 0.44682168101123 0.03365412747635 1.008 > 2 47 H 0.40929666851410 0.44682168101123 0.53365412747635 1.008 > 2 48 H 0.90929666851410 0.44682168101123 0.53365412747635 1.008 > 2 49 H 0.40929666851410 0.55317831898877 0.28365412747635 1.008 > 3 50 H 0.90929666851410 0.55317831898877 0.28365412747635 1.008 > 3 51 H 0.40929666851410 0.55317831898877 0.78365412747635 1.008 > 3 52 H 0.90929666851410 0.55317831898877 0.78365412747635 1.008 > 3 53 H 0.09070333148590 0.55317831898877 0.46634587252365 1.008 > 4 54 H 0.59070333148590 0.55317831898877 0.46634587252365 1.008 > 4 55 H 0.09070333148590 0.55317831898877 0.96634587252365 1.008 > 4 56 H 0.59070333148590 0.55317831898877 0.96634587252365 1.008 > 4 57 H 0.00000000000000 0.89388174682839 0.12500000000000 1.008 > 5 58 H 0.50000000000000 0.89388174682839 0.12500000000000 1.008 > 5 59 H 0.00000000000000 0.89388174682839 0.62500000000000 1.008 > 5 60 H 0.50000000000000 0.89388174682839 0.62500000000000 1.008 > 5 61 H 0.00000000000000 0.10611825317161 0.37500000000000 1.008 > 6 62 H 0.50000000000000 0.10611825317161 0.37500000000000 1.008 > 6 63 H 0.00000000000000 0.10611825317161 0.87500000000000 1.008 > 6 64 H 0.50000000000000 0.10611825317161 0.87500000000000 1.008 > 6 65 H 0.43643745802683 0.78461357653694 0.43215670477011 1.008 > 7 66 H 0.93643745802683 0.78461357653694 0.43215670477011 1.008 > 7 67 H 0.43643745802683 0.78461357653694 0.93215670477011 1.008 > 7 68 H 0.93643745802683 0.78461357653694 0.93215670477011 1.008 > 7 69 H 0.06356254197317 0.78461357653694 0.31784329522989 1.008 > 8 70 H 0.56356254197317 0.78461357653694 0.31784329522989 1.008 > 8 71 H 0.06356254197317 0.78461357653694 0.81784329522989 1.008 > 8 72 H 0.56356254197317 0.78461357653694 0.81784329522989 1.008 > 8 73 H 0.06356254197317 0.21538642346306 0.06784329522989 1.008 > 9 74 H 0.56356254197317 0.21538642346306 0.06784329522989 1.008 > 9 75 H 0.06356254197317 0.21538642346306 0.56784329522989 1.008 > 9 76 H 0.56356254197317 0.21538642346306 0.56784329522989 1.008 > 9 77 H 0.43643745802683 0.21538642346306 0.18215670477011 1.008 > 10 78 H 0.93643745802683 0.21538642346306 0.18215670477011 1.008 > 10 79 H 0.43643745802683 0.21538642346306 0.68215670477011 1.008 > 10 80 H 0.93643745802683 0.21538642346306 0.68215670477011 1.008 > 10 *81 Be 0.25000000000000 0.82533990778354 0.12500000000000 9.012 > 11 82 Be 0.75000000000000 0.82533990778354 0.12500000000000 9.012 > 11 83 Be 0.25000000000000 0.82533990778354 0.62500000000000 9.012 > 11 84 Be 0.75000000000000 0.82533990778354 0.62500000000000 9.012 > 11 85 Be 0.25000000000000 0.17466009221646 0.37500000000000 9.012 > 12 86 Be 0.75000000000000 0.17466009221646 0.37500000000000 9.012 > 12 87 Be 0.25000000000000 0.17466009221646 0.87500000000000 9.012 > 12 88 Be 0.75000000000000 0.17466009221646 0.87500000000000 9.012 > 12 89 Be 0.00000000000000 0.32533990778354 0.12500000000000 9.012 > 11 90 Be 0.50000000000000 0.32533990778354 0.12500000000000 9.012 > 11 91 Be 0.00000000000000 0.32533990778354 0.62500000000000 9.012 > 11 92 Be 0.50000000000000 0.32533990778354 0.62500000000000 9.012 > 11 93 Be 0.00000000000000 0.67466009221646 0.37500000000000 9.012 > 12 94 Be 0.50000000000000 0.67466009221646 0.37500000000000 9.012 > 12 95 Be 0.00000000000000 0.67466009221646 0.87500000000000 9.012 > 12 96 Be 0.50000000000000 0.67466009221646 0.87500000000000 9.012 > 12 *97 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 13 98 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 13 99 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 13 100 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 13 101 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 14 102 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 14 103 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 14 104 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 14 105 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 13 106 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 13 107 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 13 108 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 13 109 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 14 110 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 14 111 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 14 112 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0107327 0.0000000 0.0316773 0.0000000 4.0772399 0.0000000 0.0316776 0.0000000 4.3527345 -------------------------- Born effective charges -------------------------- 1 H -0.8408714 -0.2286411 -0.2847629 -0.2404020 -0.6117722 -0.1717829 -0.2470224 -0.1596087 -0.6947351 2 H -0.8408714 0.2286411 -0.2847629 0.2404020 -0.6117722 0.1717829 -0.2470224 0.1596087 -0.6947351 3 H -0.8408714 -0.2286411 -0.2847629 -0.2404020 -0.6117722 -0.1717829 -0.2470224 -0.1596087 -0.6947351 4 H -0.8408714 0.2286411 -0.2847629 0.2404020 -0.6117722 0.1717829 -0.2470224 0.1596087 -0.6947351 5 H -0.6506357 0.0000000 0.2758434 0.0000000 -0.5501747 0.0000000 0.2550974 0.0000000 -1.1563781 6 H -0.6506357 0.0000000 0.2758434 0.0000000 -0.5501747 0.0000000 0.2550974 0.0000000 -1.1563781 7 H -0.4856315 0.1133995 0.0811873 0.1471085 -0.8584677 -0.2295436 0.1013057 -0.2351424 -0.6549358 8 H -0.4856315 -0.1133995 0.0811873 -0.1471085 -0.8584677 0.2295436 0.1013057 0.2351424 -0.6549358 9 H -0.4856315 0.1133995 0.0811873 0.1471085 -0.8584677 -0.2295436 0.1013057 -0.2351424 -0.6549358 10 H -0.4856315 -0.1133995 0.0811873 -0.1471085 -0.8584677 0.2295436 0.1013057 0.2351424 -0.6549358 11 Be 0.9403507 0.0000000 0.4498372 0.0000000 1.1375332 0.0000000 -0.0247939 0.0000000 1.1148749 12 Be 0.9403507 0.0000000 0.4498372 0.0000000 1.1375332 0.0000000 -0.0247939 0.0000000 1.1148749 13 Al 2.3632907 -0.2895250 -0.3185295 -0.5046896 2.3531213 0.1749626 0.0611299 -0.0101515 2.7408450 14 Al 2.3632907 0.2895250 -0.3185295 0.5046896 2.3531213 -0.1749626 0.0611299 0.0101515 2.7408450 ---------------------------------------------------------------------------- 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: 9168/9168 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1882 Number of blocks in projector: 1882 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: 402 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1882, 1846), data: False |-- (236, 231), data: True |-- (236, 231), data: True |-- (236, 231), data: True |-- (386, 380), data: True |-- (386, 380), data: True |-- (402, 393), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 2.956 Solver_block: 200 / 480 - Time: 2.981 Solver_block: 300 / 480 - Time: 2.986 Solver_block: 400 / 480 - Time: 2.981 Solver_block: 480 / 480 - Time: 2.409 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.365 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9168/9168 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1882 Number of blocks in projector: 1882 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: 402 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1882, 1846), data: False |-- (236, 231), data: True |-- (236, 231), data: True |-- (236, 231), data: True |-- (386, 380), data: True |-- (386, 380), data: True |-- (402, 393), 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 05:34:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:34:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.850230797622436 -3.492815910000001 0.000000000000000 b 2.850230797622436 3.492815910000001 0.000000000000000 c -2.617402300447949 0.000000000000000 5.510857982516851 Atomic positions (fractional): 1 H 0.73458498196057 0.62822834398302 0.43269174504730 1.008 2 H 0.37177165601698 0.26541501803943 0.06730825495270 1.008 3 H 0.26541501803943 0.37177165601698 0.56730825495270 1.008 4 H 0.62822834398302 0.73458498196057 0.93269174504730 1.008 5 H 0.10611825317161 0.89388174682839 0.25000000000000 1.008 6 H 0.89388174682839 0.10611825317161 0.75000000000000 1.008 7 H 0.08826133951672 0.65748849259061 0.86431340954021 1.008 8 H 0.34251150740939 0.91173866048328 0.63568659045979 1.008 9 H 0.91173866048328 0.34251150740939 0.13568659045979 1.008 10 H 0.65748849259061 0.08826133951672 0.36431340954022 1.008 11 Be 0.67466009221646 0.32533990778354 0.25000000000000 9.012 12 Be 0.32533990778354 0.67466009221646 0.75000000000000 9.012 13 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.400923190489744 0.000000000000000 0.000000000000000 b 0.000000000000000 6.985631820000002 0.000000000000000 c -5.234804600895898 0.000000000000000 11.021715965033701 Atomic positions (fractional): 1 H 0.34070333148590 0.94682168101123 0.21634587252365 1.008 > 1 2 H 0.84070333148590 0.94682168101123 0.21634587252365 1.008 > 1 3 H 0.34070333148590 0.94682168101123 0.71634587252365 1.008 > 1 4 H 0.84070333148590 0.94682168101123 0.71634587252365 1.008 > 1 5 H 0.15929666851410 0.94682168101123 0.03365412747635 1.008 > 5 6 H 0.65929666851410 0.94682168101123 0.03365412747635 1.008 > 5 7 H 0.15929666851410 0.94682168101123 0.53365412747635 1.008 > 5 8 H 0.65929666851410 0.94682168101123 0.53365412747635 1.008 > 5 9 H 0.15929666851410 0.05317831898877 0.28365412747635 1.008 > 9 10 H 0.65929666851410 0.05317831898877 0.28365412747635 1.008 > 9 11 H 0.15929666851410 0.05317831898877 0.78365412747635 1.008 > 9 12 H 0.65929666851410 0.05317831898877 0.78365412747635 1.008 > 9 13 H 0.34070333148590 0.05317831898877 0.46634587252365 1.008 > 13 14 H 0.84070333148590 0.05317831898877 0.46634587252365 1.008 > 13 15 H 0.34070333148590 0.05317831898877 0.96634587252365 1.008 > 13 16 H 0.84070333148590 0.05317831898877 0.96634587252365 1.008 > 13 17 H 0.25000000000000 0.39388174682839 0.12500000000000 1.008 > 17 18 H 0.75000000000000 0.39388174682839 0.12500000000000 1.008 > 17 19 H 0.25000000000000 0.39388174682839 0.62500000000000 1.008 > 17 20 H 0.75000000000000 0.39388174682839 0.62500000000000 1.008 > 17 21 H 0.25000000000000 0.60611825317161 0.37500000000000 1.008 > 21 22 H 0.75000000000000 0.60611825317161 0.37500000000000 1.008 > 21 23 H 0.25000000000000 0.60611825317161 0.87500000000000 1.008 > 21 24 H 0.75000000000000 0.60611825317161 0.87500000000000 1.008 > 21 25 H 0.18643745802683 0.28461357653694 0.43215670477011 1.008 > 25 26 H 0.68643745802683 0.28461357653694 0.43215670477011 1.008 > 25 27 H 0.18643745802683 0.28461357653694 0.93215670477011 1.008 > 25 28 H 0.68643745802683 0.28461357653694 0.93215670477011 1.008 > 25 29 H 0.31356254197317 0.28461357653694 0.31784329522989 1.008 > 29 30 H 0.81356254197317 0.28461357653694 0.31784329522989 1.008 > 29 31 H 0.31356254197317 0.28461357653694 0.81784329522989 1.008 > 29 32 H 0.81356254197317 0.28461357653694 0.81784329522989 1.008 > 29 33 H 0.31356254197317 0.71538642346306 0.06784329522989 1.008 > 33 34 H 0.81356254197317 0.71538642346306 0.06784329522989 1.008 > 33 35 H 0.31356254197317 0.71538642346306 0.56784329522989 1.008 > 33 36 H 0.81356254197317 0.71538642346306 0.56784329522989 1.008 > 33 37 H 0.18643745802683 0.71538642346306 0.18215670477011 1.008 > 37 38 H 0.68643745802683 0.71538642346306 0.18215670477011 1.008 > 37 39 H 0.18643745802683 0.71538642346306 0.68215670477011 1.008 > 37 40 H 0.68643745802683 0.71538642346306 0.68215670477011 1.008 > 37 41 H 0.09070333148590 0.44682168101123 0.21634587252365 1.008 > 1 42 H 0.59070333148590 0.44682168101123 0.21634587252365 1.008 > 1 43 H 0.09070333148590 0.44682168101123 0.71634587252365 1.008 > 1 44 H 0.59070333148590 0.44682168101123 0.71634587252365 1.008 > 1 45 H 0.40929666851410 0.44682168101123 0.03365412747635 1.008 > 5 46 H 0.90929666851410 0.44682168101123 0.03365412747635 1.008 > 5 47 H 0.40929666851410 0.44682168101123 0.53365412747635 1.008 > 5 48 H 0.90929666851410 0.44682168101123 0.53365412747635 1.008 > 5 49 H 0.40929666851410 0.55317831898877 0.28365412747635 1.008 > 9 50 H 0.90929666851410 0.55317831898877 0.28365412747635 1.008 > 9 51 H 0.40929666851410 0.55317831898877 0.78365412747635 1.008 > 9 52 H 0.90929666851410 0.55317831898877 0.78365412747635 1.008 > 9 53 H 0.09070333148590 0.55317831898877 0.46634587252365 1.008 > 13 54 H 0.59070333148590 0.55317831898877 0.46634587252365 1.008 > 13 55 H 0.09070333148590 0.55317831898877 0.96634587252365 1.008 > 13 56 H 0.59070333148590 0.55317831898877 0.96634587252365 1.008 > 13 57 H 0.00000000000000 0.89388174682839 0.12500000000000 1.008 > 17 58 H 0.50000000000000 0.89388174682839 0.12500000000000 1.008 > 17 59 H 0.00000000000000 0.89388174682839 0.62500000000000 1.008 > 17 60 H 0.50000000000000 0.89388174682839 0.62500000000000 1.008 > 17 61 H 0.00000000000000 0.10611825317161 0.37500000000000 1.008 > 21 62 H 0.50000000000000 0.10611825317161 0.37500000000000 1.008 > 21 63 H 0.00000000000000 0.10611825317161 0.87500000000000 1.008 > 21 64 H 0.50000000000000 0.10611825317161 0.87500000000000 1.008 > 21 65 H 0.43643745802683 0.78461357653694 0.43215670477011 1.008 > 25 66 H 0.93643745802683 0.78461357653694 0.43215670477011 1.008 > 25 67 H 0.43643745802683 0.78461357653694 0.93215670477011 1.008 > 25 68 H 0.93643745802683 0.78461357653694 0.93215670477011 1.008 > 25 69 H 0.06356254197317 0.78461357653694 0.31784329522989 1.008 > 29 70 H 0.56356254197317 0.78461357653694 0.31784329522989 1.008 > 29 71 H 0.06356254197317 0.78461357653694 0.81784329522989 1.008 > 29 72 H 0.56356254197317 0.78461357653694 0.81784329522989 1.008 > 29 73 H 0.06356254197317 0.21538642346306 0.06784329522989 1.008 > 33 74 H 0.56356254197317 0.21538642346306 0.06784329522989 1.008 > 33 75 H 0.06356254197317 0.21538642346306 0.56784329522989 1.008 > 33 76 H 0.56356254197317 0.21538642346306 0.56784329522989 1.008 > 33 77 H 0.43643745802683 0.21538642346306 0.18215670477011 1.008 > 37 78 H 0.93643745802683 0.21538642346306 0.18215670477011 1.008 > 37 79 H 0.43643745802683 0.21538642346306 0.68215670477011 1.008 > 37 80 H 0.93643745802683 0.21538642346306 0.68215670477011 1.008 > 37 81 Be 0.25000000000000 0.82533990778354 0.12500000000000 9.012 > 81 82 Be 0.75000000000000 0.82533990778354 0.12500000000000 9.012 > 81 83 Be 0.25000000000000 0.82533990778354 0.62500000000000 9.012 > 81 84 Be 0.75000000000000 0.82533990778354 0.62500000000000 9.012 > 81 85 Be 0.25000000000000 0.17466009221646 0.37500000000000 9.012 > 85 86 Be 0.75000000000000 0.17466009221646 0.37500000000000 9.012 > 85 87 Be 0.25000000000000 0.17466009221646 0.87500000000000 9.012 > 85 88 Be 0.75000000000000 0.17466009221646 0.87500000000000 9.012 > 85 89 Be 0.00000000000000 0.32533990778354 0.12500000000000 9.012 > 81 90 Be 0.50000000000000 0.32533990778354 0.12500000000000 9.012 > 81 91 Be 0.00000000000000 0.32533990778354 0.62500000000000 9.012 > 81 92 Be 0.50000000000000 0.32533990778354 0.62500000000000 9.012 > 81 93 Be 0.00000000000000 0.67466009221646 0.37500000000000 9.012 > 85 94 Be 0.50000000000000 0.67466009221646 0.37500000000000 9.012 > 85 95 Be 0.00000000000000 0.67466009221646 0.87500000000000 9.012 > 85 96 Be 0.50000000000000 0.67466009221646 0.87500000000000 9.012 > 85 97 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 97 98 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 97 99 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 97 100 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 97 101 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 101 102 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 101 103 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 101 104 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 101 105 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 97 106 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 97 107 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 97 108 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 97 109 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 101 110 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 101 111 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 101 112 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0107327 0.0000000 0.0316773 0.0000000 4.0772399 0.0000000 0.0316776 0.0000000 4.3527345 -------------------------- Born effective charges -------------------------- 1 H -0.8408714 -0.2286411 -0.2847629 -0.2404020 -0.6117722 -0.1717829 -0.2470224 -0.1596087 -0.6947351 2 H -0.8408714 0.2286411 -0.2847629 0.2404020 -0.6117722 0.1717829 -0.2470224 0.1596087 -0.6947351 3 H -0.8408714 -0.2286411 -0.2847629 -0.2404020 -0.6117722 -0.1717829 -0.2470224 -0.1596087 -0.6947351 4 H -0.8408714 0.2286411 -0.2847629 0.2404020 -0.6117722 0.1717829 -0.2470224 0.1596087 -0.6947351 5 H -0.6506357 0.0000000 0.2758434 0.0000000 -0.5501747 0.0000000 0.2550974 0.0000000 -1.1563781 6 H -0.6506357 0.0000000 0.2758434 0.0000000 -0.5501747 0.0000000 0.2550974 0.0000000 -1.1563781 7 H -0.4856315 0.1133995 0.0811873 0.1471085 -0.8584677 -0.2295436 0.1013057 -0.2351424 -0.6549358 8 H -0.4856315 -0.1133995 0.0811873 -0.1471085 -0.8584677 0.2295436 0.1013057 0.2351424 -0.6549358 9 H -0.4856315 0.1133995 0.0811873 0.1471085 -0.8584677 -0.2295436 0.1013057 -0.2351424 -0.6549358 10 H -0.4856315 -0.1133995 0.0811873 -0.1471085 -0.8584677 0.2295436 0.1013057 0.2351424 -0.6549358 11 Be 0.9403507 0.0000000 0.4498372 0.0000000 1.1375332 0.0000000 -0.0247939 0.0000000 1.1148749 12 Be 0.9403507 0.0000000 0.4498372 0.0000000 1.1375332 0.0000000 -0.0247939 0.0000000 1.1148749 13 Al 2.3632907 -0.2895250 -0.3185295 -0.5046896 2.3531213 0.1749626 0.0611299 -0.0101515 2.7408450 14 Al 2.3632907 0.2895250 -0.3185295 0.5046896 2.3531213 -0.1749626 0.0611299 0.0101515 2.7408450 ---------------------------------------------------------------------------- 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 81, 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] 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] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (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 05:34:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:34:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.850230797622436 -3.492815910000001 0.000000000000000 b 2.850230797622436 3.492815910000001 0.000000000000000 c -2.617402300447949 0.000000000000000 5.510857982516851 Atomic positions (fractional): 1 H 0.73458498196057 0.62822834398302 0.43269174504730 1.008 2 H 0.37177165601698 0.26541501803943 0.06730825495270 1.008 3 H 0.26541501803943 0.37177165601698 0.56730825495270 1.008 4 H 0.62822834398302 0.73458498196057 0.93269174504730 1.008 5 H 0.10611825317161 0.89388174682839 0.25000000000000 1.008 6 H 0.89388174682839 0.10611825317161 0.75000000000000 1.008 7 H 0.08826133951672 0.65748849259061 0.86431340954021 1.008 8 H 0.34251150740939 0.91173866048328 0.63568659045979 1.008 9 H 0.91173866048328 0.34251150740939 0.13568659045979 1.008 10 H 0.65748849259061 0.08826133951672 0.36431340954022 1.008 11 Be 0.67466009221646 0.32533990778354 0.25000000000000 9.012 12 Be 0.32533990778354 0.67466009221646 0.75000000000000 9.012 13 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.400923190489744 0.000000000000000 0.000000000000000 b 0.000000000000000 6.985631820000002 0.000000000000000 c -5.234804600895898 0.000000000000000 11.021715965033701 Atomic positions (fractional): 1 H 0.34070333148590 0.94682168101123 0.21634587252365 1.008 > 1 2 H 0.84070333148590 0.94682168101123 0.21634587252365 1.008 > 1 3 H 0.34070333148590 0.94682168101123 0.71634587252365 1.008 > 1 4 H 0.84070333148590 0.94682168101123 0.71634587252365 1.008 > 1 5 H 0.15929666851410 0.94682168101123 0.03365412747635 1.008 > 5 6 H 0.65929666851410 0.94682168101123 0.03365412747635 1.008 > 5 7 H 0.15929666851410 0.94682168101123 0.53365412747635 1.008 > 5 8 H 0.65929666851410 0.94682168101123 0.53365412747635 1.008 > 5 9 H 0.15929666851410 0.05317831898877 0.28365412747635 1.008 > 9 10 H 0.65929666851410 0.05317831898877 0.28365412747635 1.008 > 9 11 H 0.15929666851410 0.05317831898877 0.78365412747635 1.008 > 9 12 H 0.65929666851410 0.05317831898877 0.78365412747635 1.008 > 9 13 H 0.34070333148590 0.05317831898877 0.46634587252365 1.008 > 13 14 H 0.84070333148590 0.05317831898877 0.46634587252365 1.008 > 13 15 H 0.34070333148590 0.05317831898877 0.96634587252365 1.008 > 13 16 H 0.84070333148590 0.05317831898877 0.96634587252365 1.008 > 13 17 H 0.25000000000000 0.39388174682839 0.12500000000000 1.008 > 17 18 H 0.75000000000000 0.39388174682839 0.12500000000000 1.008 > 17 19 H 0.25000000000000 0.39388174682839 0.62500000000000 1.008 > 17 20 H 0.75000000000000 0.39388174682839 0.62500000000000 1.008 > 17 21 H 0.25000000000000 0.60611825317161 0.37500000000000 1.008 > 21 22 H 0.75000000000000 0.60611825317161 0.37500000000000 1.008 > 21 23 H 0.25000000000000 0.60611825317161 0.87500000000000 1.008 > 21 24 H 0.75000000000000 0.60611825317161 0.87500000000000 1.008 > 21 25 H 0.18643745802683 0.28461357653694 0.43215670477011 1.008 > 25 26 H 0.68643745802683 0.28461357653694 0.43215670477011 1.008 > 25 27 H 0.18643745802683 0.28461357653694 0.93215670477011 1.008 > 25 28 H 0.68643745802683 0.28461357653694 0.93215670477011 1.008 > 25 29 H 0.31356254197317 0.28461357653694 0.31784329522989 1.008 > 29 30 H 0.81356254197317 0.28461357653694 0.31784329522989 1.008 > 29 31 H 0.31356254197317 0.28461357653694 0.81784329522989 1.008 > 29 32 H 0.81356254197317 0.28461357653694 0.81784329522989 1.008 > 29 33 H 0.31356254197317 0.71538642346306 0.06784329522989 1.008 > 33 34 H 0.81356254197317 0.71538642346306 0.06784329522989 1.008 > 33 35 H 0.31356254197317 0.71538642346306 0.56784329522989 1.008 > 33 36 H 0.81356254197317 0.71538642346306 0.56784329522989 1.008 > 33 37 H 0.18643745802683 0.71538642346306 0.18215670477011 1.008 > 37 38 H 0.68643745802683 0.71538642346306 0.18215670477011 1.008 > 37 39 H 0.18643745802683 0.71538642346306 0.68215670477011 1.008 > 37 40 H 0.68643745802683 0.71538642346306 0.68215670477011 1.008 > 37 41 H 0.09070333148590 0.44682168101123 0.21634587252365 1.008 > 1 42 H 0.59070333148590 0.44682168101123 0.21634587252365 1.008 > 1 43 H 0.09070333148590 0.44682168101123 0.71634587252365 1.008 > 1 44 H 0.59070333148590 0.44682168101123 0.71634587252365 1.008 > 1 45 H 0.40929666851410 0.44682168101123 0.03365412747635 1.008 > 5 46 H 0.90929666851410 0.44682168101123 0.03365412747635 1.008 > 5 47 H 0.40929666851410 0.44682168101123 0.53365412747635 1.008 > 5 48 H 0.90929666851410 0.44682168101123 0.53365412747635 1.008 > 5 49 H 0.40929666851410 0.55317831898877 0.28365412747635 1.008 > 9 50 H 0.90929666851410 0.55317831898877 0.28365412747635 1.008 > 9 51 H 0.40929666851410 0.55317831898877 0.78365412747635 1.008 > 9 52 H 0.90929666851410 0.55317831898877 0.78365412747635 1.008 > 9 53 H 0.09070333148590 0.55317831898877 0.46634587252365 1.008 > 13 54 H 0.59070333148590 0.55317831898877 0.46634587252365 1.008 > 13 55 H 0.09070333148590 0.55317831898877 0.96634587252365 1.008 > 13 56 H 0.59070333148590 0.55317831898877 0.96634587252365 1.008 > 13 57 H 0.00000000000000 0.89388174682839 0.12500000000000 1.008 > 17 58 H 0.50000000000000 0.89388174682839 0.12500000000000 1.008 > 17 59 H 0.00000000000000 0.89388174682839 0.62500000000000 1.008 > 17 60 H 0.50000000000000 0.89388174682839 0.62500000000000 1.008 > 17 61 H 0.00000000000000 0.10611825317161 0.37500000000000 1.008 > 21 62 H 0.50000000000000 0.10611825317161 0.37500000000000 1.008 > 21 63 H 0.00000000000000 0.10611825317161 0.87500000000000 1.008 > 21 64 H 0.50000000000000 0.10611825317161 0.87500000000000 1.008 > 21 65 H 0.43643745802683 0.78461357653694 0.43215670477011 1.008 > 25 66 H 0.93643745802683 0.78461357653694 0.43215670477011 1.008 > 25 67 H 0.43643745802683 0.78461357653694 0.93215670477011 1.008 > 25 68 H 0.93643745802683 0.78461357653694 0.93215670477011 1.008 > 25 69 H 0.06356254197317 0.78461357653694 0.31784329522989 1.008 > 29 70 H 0.56356254197317 0.78461357653694 0.31784329522989 1.008 > 29 71 H 0.06356254197317 0.78461357653694 0.81784329522989 1.008 > 29 72 H 0.56356254197317 0.78461357653694 0.81784329522989 1.008 > 29 73 H 0.06356254197317 0.21538642346306 0.06784329522989 1.008 > 33 74 H 0.56356254197317 0.21538642346306 0.06784329522989 1.008 > 33 75 H 0.06356254197317 0.21538642346306 0.56784329522989 1.008 > 33 76 H 0.56356254197317 0.21538642346306 0.56784329522989 1.008 > 33 77 H 0.43643745802683 0.21538642346306 0.18215670477011 1.008 > 37 78 H 0.93643745802683 0.21538642346306 0.18215670477011 1.008 > 37 79 H 0.43643745802683 0.21538642346306 0.68215670477011 1.008 > 37 80 H 0.93643745802683 0.21538642346306 0.68215670477011 1.008 > 37 81 Be 0.25000000000000 0.82533990778354 0.12500000000000 9.012 > 81 82 Be 0.75000000000000 0.82533990778354 0.12500000000000 9.012 > 81 83 Be 0.25000000000000 0.82533990778354 0.62500000000000 9.012 > 81 84 Be 0.75000000000000 0.82533990778354 0.62500000000000 9.012 > 81 85 Be 0.25000000000000 0.17466009221646 0.37500000000000 9.012 > 85 86 Be 0.75000000000000 0.17466009221646 0.37500000000000 9.012 > 85 87 Be 0.25000000000000 0.17466009221646 0.87500000000000 9.012 > 85 88 Be 0.75000000000000 0.17466009221646 0.87500000000000 9.012 > 85 89 Be 0.00000000000000 0.32533990778354 0.12500000000000 9.012 > 81 90 Be 0.50000000000000 0.32533990778354 0.12500000000000 9.012 > 81 91 Be 0.00000000000000 0.32533990778354 0.62500000000000 9.012 > 81 92 Be 0.50000000000000 0.32533990778354 0.62500000000000 9.012 > 81 93 Be 0.00000000000000 0.67466009221646 0.37500000000000 9.012 > 85 94 Be 0.50000000000000 0.67466009221646 0.37500000000000 9.012 > 85 95 Be 0.00000000000000 0.67466009221646 0.87500000000000 9.012 > 85 96 Be 0.50000000000000 0.67466009221646 0.87500000000000 9.012 > 85 97 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 97 98 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 97 99 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 97 100 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 97 101 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 101 102 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 101 103 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 101 104 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 101 105 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 97 106 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 97 107 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 97 108 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 97 109 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 101 110 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 101 111 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 101 112 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0107327 0.0000000 0.0316773 0.0000000 4.0772399 0.0000000 0.0316776 0.0000000 4.3527345 -------------------------- Born effective charges -------------------------- 1 H -0.8408714 -0.2286411 -0.2847629 -0.2404020 -0.6117722 -0.1717829 -0.2470224 -0.1596087 -0.6947351 2 H -0.8408714 0.2286411 -0.2847629 0.2404020 -0.6117722 0.1717829 -0.2470224 0.1596087 -0.6947351 3 H -0.8408714 -0.2286411 -0.2847629 -0.2404020 -0.6117722 -0.1717829 -0.2470224 -0.1596087 -0.6947351 4 H -0.8408714 0.2286411 -0.2847629 0.2404020 -0.6117722 0.1717829 -0.2470224 0.1596087 -0.6947351 5 H -0.6506357 0.0000000 0.2758434 0.0000000 -0.5501747 0.0000000 0.2550974 0.0000000 -1.1563781 6 H -0.6506357 0.0000000 0.2758434 0.0000000 -0.5501747 0.0000000 0.2550974 0.0000000 -1.1563781 7 H -0.4856315 0.1133995 0.0811873 0.1471085 -0.8584677 -0.2295436 0.1013057 -0.2351424 -0.6549358 8 H -0.4856315 -0.1133995 0.0811873 -0.1471085 -0.8584677 0.2295436 0.1013057 0.2351424 -0.6549358 9 H -0.4856315 0.1133995 0.0811873 0.1471085 -0.8584677 -0.2295436 0.1013057 -0.2351424 -0.6549358 10 H -0.4856315 -0.1133995 0.0811873 -0.1471085 -0.8584677 0.2295436 0.1013057 0.2351424 -0.6549358 11 Be 0.9403507 0.0000000 0.4498372 0.0000000 1.1375332 0.0000000 -0.0247939 0.0000000 1.1148749 12 Be 0.9403507 0.0000000 0.4498372 0.0000000 1.1375332 0.0000000 -0.0247939 0.0000000 1.1148749 13 Al 2.3632907 -0.2895250 -0.3185295 -0.5046896 2.3531213 0.1749626 0.0611299 -0.0101515 2.7408450 14 Al 2.3632907 0.2895250 -0.3185295 0.5046896 2.3531213 -0.1749626 0.0611299 0.0101515 2.7408450 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) 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 ... [ 12 12 9 ] 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: 0.87, Number of G-points: 295, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/355) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 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 3.940 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 11.884 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 13.106 ( 0.000 0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 15.828 ( 0.000 0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 17.257 ( 0.000 0.000 0.000) 0.000 19.339 ( 0.000 0.000 0.000) 0.000 20.812 ( 0.000 0.000 0.000) 0.000 21.093 ( 0.000 0.000 0.000) 0.000 21.405 ( 0.000 0.000 0.000) 0.000 21.992 ( 0.000 0.000 0.000) 0.000 30.208 ( 0.000 0.000 0.000) 0.000 30.768 ( 0.000 0.000 0.000) 0.000 30.786 ( 0.000 0.000 0.000) 0.000 31.408 ( 0.000 0.000 0.000) 0.000 31.545 ( 0.000 0.000 0.000) 0.000 32.674 ( 0.000 0.000 0.000) 0.000 35.606 ( 0.000 0.000 0.000) 0.000 35.752 ( 0.000 0.000 0.000) 0.000 35.968 ( 0.000 0.000 0.000) 0.000 36.624 ( 0.000 0.000 0.000) 0.000 51.151 ( 0.000 0.000 0.000) 0.000 52.695 ( 0.000 0.000 0.000) 0.000 54.212 ( 0.000 0.000 0.000) 0.000 54.308 ( 0.000 0.000 0.000) 0.000 54.741 ( 0.000 0.000 0.000) 0.000 55.169 ( 0.000 0.000 0.000) 0.000 58.032 ( 0.000 0.000 0.000) 0.000 58.280 ( 0.000 0.000 0.000) 0.000 58.824 ( 0.000 0.000 0.000) 0.000 61.012 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/355) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 30.421 -20.589 12.002) 38.644 0.996 ( 35.723 -22.319 25.438) 49.207 1.516 ( 56.790 -40.523 32.085) 76.789 4.455 ( 33.558 -18.741 28.403) 47.792 5.959 ( 0.411 1.195 -0.548) 1.377 6.284 ( -0.044 -8.996 -9.114) 12.807 9.407 ( 4.005 1.610 -12.161) 12.904 9.524 ( 0.591 -1.090 1.251) 1.761 9.899 ( 8.287 -9.739 -0.546) 12.799 10.695 ( -8.274 -0.281 -1.561) 8.425 11.807 ( 5.885 18.391 5.104) 19.973 12.142 ( 1.125 -12.008 6.260) 13.588 13.236 ( -6.972 -10.704 -7.752) 14.942 14.357 ( -11.964 -2.679 -6.206) 13.741 15.903 ( 7.181 -6.671 -11.191) 14.876 16.190 ( -8.589 -34.650 -7.687) 36.517 18.209 ( -33.999 23.423 98.212) 106.537 19.330 ( -1.521 -2.880 -4.014) 5.169 20.980 ( -7.288 4.299 -4.918) 9.787 21.371 ( 14.161 14.726 10.193) 22.832 21.948 ( -1.860 3.140 -3.093) 4.784 22.409 ( 5.451 47.060 62.132) 78.133 30.198 ( 4.791 8.669 -19.301) 21.694 30.709 ( -12.493 -3.448 4.158) 13.611 31.080 ( 6.136 -7.620 -15.931) 18.695 31.449 ( 6.247 1.957 0.605) 6.574 31.588 ( -0.716 -9.014 -2.668) 9.427 33.162 ( -34.636 -55.153 -16.332) 67.143 35.615 ( 0.329 -1.002 0.139) 1.064 35.762 ( 1.269 0.281 0.544) 1.409 36.549 ( 12.882 12.024 -5.156) 18.360 36.795 ( 22.676 15.050 -27.175) 38.460 51.157 ( -0.071 0.972 3.517) 3.650 52.703 ( -7.059 1.894 15.317) 16.971 54.196 ( -1.453 -0.023 -1.620) 2.176 54.367 ( 5.241 -1.944 3.577) 6.636 54.956 ( -9.831 -21.237 -3.929) 23.729 56.609 ( -5.836 -26.554 -36.334) 45.380 58.247 ( -0.722 2.922 0.729) 3.097 58.827 ( -0.560 -0.133 1.552) 1.655 60.020 ( 7.977 47.118 60.273) 76.920 61.005 ( -0.107 -0.021 -1.490) 1.494 ======================= Grid point 2 (3/355) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 27.980 -20.039 11.374) 36.246 1.901 ( 31.671 -18.894 20.609) 42.246 3.039 ( 55.392 -36.617 33.503) 74.374 5.438 ( 27.610 -16.880 37.784) 49.748 5.920 ( -1.970 1.465 -2.531) 3.526 6.459 ( 18.970 -17.531 -12.490) 28.691 9.357 ( 0.747 1.268 -6.853) 7.009 9.542 ( 0.266 0.860 2.170) 2.350 10.215 ( 9.637 -16.220 -1.114) 18.900 10.575 ( -3.578 0.324 1.867) 4.049 11.705 ( 1.222 13.242 4.468) 14.028 12.365 ( 5.944 -9.309 4.818) 12.050 13.195 ( -1.899 0.167 -3.139) 3.673 14.149 ( -14.217 -7.078 -12.302) 20.089 16.009 ( 2.550 -11.755 -9.271) 15.186 16.517 ( 9.252 -19.452 2.425) 21.677 18.074 ( -19.664 18.514 48.752) 55.733 19.315 ( -2.971 -6.381 -6.165) 9.357 20.741 ( -10.173 6.634 -7.517) 14.283 21.469 ( 9.426 8.864 7.648) 15.031 21.827 ( -3.240 5.161 -5.572) 8.258 22.338 ( -1.025 23.094 29.037) 37.115 29.979 ( -7.949 5.949 -10.134) 14.187 30.565 ( -13.088 -0.297 3.580) 13.572 31.186 ( 11.296 -1.936 -7.356) 13.619 31.531 ( 9.079 4.356 0.619) 10.089 31.680 ( -1.509 -12.174 -4.105) 12.936 33.217 ( -13.877 -26.815 -6.920) 30.976 35.637 ( 0.276 -1.471 0.187) 1.508 35.792 ( 2.734 0.365 0.975) 2.925 36.550 ( 1.472 2.391 -1.295) 3.092 36.754 ( 13.268 10.838 -14.390) 22.373 51.171 ( -0.363 1.800 5.897) 6.176 52.677 ( -3.390 1.629 5.693) 6.824 54.159 ( -1.635 -0.167 -1.926) 2.532 54.554 ( 10.112 -3.445 7.534) 13.072 55.063 ( -2.275 -15.416 -3.303) 15.929 56.581 ( -3.233 -10.614 -16.431) 19.827 58.182 ( -3.524 2.804 -0.979) 4.609 58.828 ( -1.177 0.435 2.753) 3.026 59.977 ( 1.760 22.102 25.762) 33.990 60.994 ( 0.133 -0.351 -2.162) 2.195 ======================= Grid point 3 (4/355) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 22.946 -17.717 9.469) 30.497 2.636 ( 25.172 -13.974 13.651) 31.863 4.399 ( 45.274 -25.792 32.265) 61.286 5.824 ( -7.820 -2.087 8.017) 11.392 6.012 ( 12.425 -7.963 4.122) 15.322 7.152 ( 35.622 -23.099 6.815) 42.999 9.320 ( 2.165 -0.094 -5.902) 6.287 9.550 ( 0.795 1.845 3.077) 3.675 10.298 ( -4.537 1.528 0.243) 4.793 10.836 ( 14.799 -19.681 1.785) 24.689 11.582 ( -4.816 7.761 3.442) 9.761 12.581 ( 8.830 -2.789 3.536) 9.912 13.146 ( 0.547 4.989 1.659) 5.286 13.981 ( -10.823 -13.274 -14.638) 22.530 16.142 ( 1.579 -13.294 -4.231) 14.040 16.899 ( 13.508 -13.442 -0.529) 19.064 17.882 ( -15.396 16.968 32.065) 39.410 19.320 ( -4.296 -10.636 -5.765) 12.838 20.431 ( -10.045 10.171 -9.153) 16.974 21.498 ( -0.009 9.347 5.305) 10.747 21.698 ( 1.975 4.342 -5.519) 7.295 22.238 ( -3.506 14.285 16.435) 22.056 29.708 ( -10.808 5.664 -6.820) 13.979 30.402 ( -10.574 1.519 2.295) 10.926 31.341 ( 10.395 -3.018 -3.300) 11.316 31.611 ( 8.923 5.429 0.967) 10.489 31.765 ( -2.351 -11.578 -4.634) 12.690 33.295 ( -6.288 -16.640 -3.423) 18.115 35.658 ( 0.083 -1.365 0.247) 1.390 35.845 ( 3.930 0.273 1.207) 4.121 36.501 ( -2.761 1.473 -3.539) 4.724 36.743 ( 9.421 6.754 -6.188) 13.140 51.182 ( -0.760 2.244 6.487) 6.906 52.648 ( -1.891 1.380 2.296) 3.279 54.135 ( -0.681 -0.631 -1.202) 1.519 54.822 ( 11.510 -2.586 10.516) 15.804 55.216 ( 2.096 -15.562 -3.404) 16.067 56.543 ( -2.306 -4.982 -9.317) 10.814 58.055 ( -6.758 3.775 -3.210) 8.380 58.819 ( -1.445 1.424 3.316) 3.887 59.902 ( -0.952 13.210 12.087) 17.930 60.993 ( 0.671 -0.971 -1.763) 2.122 ======================= Grid point 4 (5/355) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 15.081 -12.584 6.282) 20.622 3.152 ( 17.291 -8.803 6.615) 20.499 5.287 ( 17.712 -8.010 22.202) 29.509 5.846 ( 4.039 -2.254 4.187) 6.239 6.358 ( 15.256 -16.420 3.580) 22.697 7.869 ( 20.639 -13.560 9.031) 26.294 9.370 ( 6.254 -4.768 -5.718) 9.723 9.573 ( 3.424 2.926 4.665) 6.485 10.217 ( -2.489 2.961 1.520) 4.156 11.242 ( 4.416 -12.723 0.300) 13.471 11.452 ( -3.124 0.024 1.020) 3.286 12.717 ( 6.882 0.955 -0.199) 6.951 13.104 ( -0.374 7.800 4.931) 9.235 14.013 ( 1.669 -19.147 -8.671) 21.086 16.306 ( 2.049 -12.220 -0.947) 12.427 17.157 ( 9.238 -1.922 -6.348) 11.373 17.711 ( -10.882 8.322 23.945) 27.587 19.367 ( -5.827 -14.873 -3.261) 16.303 20.099 ( -5.857 13.963 -9.459) 17.853 21.323 ( -7.638 9.273 -0.235) 12.016 21.717 ( 6.862 2.675 -1.075) 7.443 22.128 ( -4.529 9.161 9.205) 13.754 29.454 ( -9.370 4.921 -4.537) 11.515 30.262 ( -7.370 1.640 1.294) 7.660 31.500 ( 8.012 -3.066 -1.331) 8.681 31.676 ( 7.416 5.151 1.550) 9.162 31.820 ( -3.060 -9.463 -4.350) 10.855 33.375 ( -2.672 -10.390 -1.642) 10.853 35.675 ( 0.035 -1.003 0.295) 1.046 35.914 ( 4.346 0.097 1.417) 4.572 36.400 ( -3.443 2.311 -4.714) 6.278 36.770 ( 5.487 2.948 -1.709) 6.459 51.185 ( -0.919 2.069 5.329) 5.790 52.623 ( -0.969 0.959 0.829) 1.596 54.136 ( 0.232 -0.863 -0.330) 0.953 55.037 ( 5.649 -1.113 6.589) 8.750 55.486 ( 10.088 -15.217 2.487) 18.426 56.505 ( -1.640 -2.361 -5.580) 6.277 57.846 ( -10.016 5.353 -5.738) 12.724 58.802 ( -0.980 1.796 3.056) 3.677 59.810 ( -1.939 8.057 4.798) 9.575 61.011 ( 0.997 -1.351 -0.910) 1.910 ======================= Grid point 5 (6/355) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 6.532 -5.878 2.786) 9.218 3.451 ( 9.005 -4.362 2.017) 10.207 5.519 ( 0.485 -1.462 7.892) 8.041 5.990 ( 5.924 -1.056 2.763) 6.621 6.840 ( 15.382 -12.440 6.961) 20.971 8.192 ( 5.548 -4.162 3.490) 7.764 9.460 ( 1.351 -3.220 -2.950) 4.571 9.696 ( 10.290 -0.986 3.440) 10.895 10.187 ( 0.538 1.175 1.096) 1.694 11.151 ( -12.025 1.685 0.155) 12.144 11.599 ( 5.874 -6.328 -1.416) 8.750 12.783 ( 3.153 -1.081 -0.951) 3.466 13.009 ( -2.867 6.335 1.720) 7.163 14.315 ( 10.509 -14.945 0.342) 18.273 16.456 ( 1.672 -7.643 0.211) 7.826 17.099 ( -2.090 8.569 -4.212) 9.775 17.734 ( -1.288 -2.312 11.027) 11.340 19.450 ( -7.561 -16.496 0.381) 18.150 19.824 ( 1.549 15.611 -7.781) 17.511 21.115 ( -6.134 6.256 -0.780) 8.796 21.789 ( 6.001 0.407 -0.748) 6.061 22.018 ( -4.827 5.540 4.584) 8.660 29.271 ( -5.370 2.948 -2.329) 6.554 30.171 ( -3.780 0.957 0.576) 3.942 31.615 ( 4.539 -1.387 -0.436) 4.766 31.726 ( 4.670 3.199 1.509) 5.858 31.843 ( -2.710 -5.950 -2.969) 7.181 33.435 ( -0.932 -5.117 -0.655) 5.242 35.687 ( 0.038 -0.530 0.212) 0.572 35.985 ( 3.615 -0.196 1.533) 3.931 36.294 ( -3.074 1.868 -3.649) 5.124 36.800 ( 2.496 1.007 -0.255) 2.703 51.182 ( -0.630 1.242 2.951) 3.263 52.609 ( -0.387 0.476 0.239) 0.658 54.151 ( 0.448 -0.616 0.088) 0.767 55.124 ( 1.577 -0.862 2.008) 2.695 55.848 ( 11.280 -10.489 6.284) 16.635 56.475 ( -1.002 -0.972 -3.139) 3.435 57.582 ( -9.777 5.514 -6.057) 12.754 58.793 ( -0.309 1.158 1.878) 2.227 59.732 ( -1.451 3.929 1.370) 4.407 61.035 ( 0.730 -0.986 -0.294) 1.261 ======================= Grid point 6 (7/355) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 0.000 -0.000 0.000) 0.000 3.550 ( 0.000 -0.000 0.000) 0.000 5.553 ( 0.000 -0.000 0.000) 0.000 6.050 ( 0.000 -0.000 0.000) 0.000 7.065 ( 0.000 -0.000 0.000) 0.000 8.258 ( 0.000 -0.000 -0.000) 0.000 9.472 ( 0.000 -0.000 -0.000) 0.000 9.813 ( 0.000 -0.000 0.000) 0.000 10.199 ( 0.000 -0.000 -0.000) 0.000 11.030 ( 0.000 -0.000 0.000) 0.000 11.673 ( 0.000 -0.000 0.000) 0.000 12.816 ( 0.000 -0.000 0.000) 0.000 12.944 ( 0.000 -0.000 0.000) 0.000 14.513 ( 0.000 -0.000 -0.000) 0.000 16.518 ( 0.000 -0.000 0.000) 0.000 16.992 ( 0.000 -0.000 0.000) 0.000 17.786 ( 0.000 -0.000 0.000) 0.000 19.510 ( 0.000 0.000 -0.000) 0.000 19.701 ( 0.000 -0.000 0.000) 0.000 21.023 ( 0.000 -0.000 0.000) 0.000 21.847 ( 0.000 -0.000 0.000) 0.000 21.945 ( 0.000 -0.000 0.000) 0.000 29.205 ( 0.000 -0.000 0.000) 0.000 30.139 ( 0.000 -0.000 0.000) 0.000 31.655 ( 0.000 -0.000 -0.000) 0.000 31.748 ( 0.000 -0.000 0.000) 0.000 31.847 ( 0.000 -0.000 0.000) 0.000 33.457 ( 0.000 -0.000 -0.000) 0.000 35.691 ( 0.000 -0.000 0.000) 0.000 36.025 ( 0.000 -0.000 -0.000) 0.000 36.240 ( 0.000 -0.000 0.000) 0.000 36.812 ( 0.000 -0.000 0.000) 0.000 51.180 ( 0.000 -0.000 0.000) 0.000 52.604 ( 0.000 -0.000 0.000) 0.000 54.159 ( 0.000 -0.000 0.000) 0.000 55.146 ( 0.000 -0.000 -0.000) 0.000 56.042 ( 0.000 -0.000 0.000) 0.000 56.460 ( 0.000 -0.000 0.000) 0.000 57.433 ( 0.000 -0.000 0.000) 0.000 58.790 ( 0.000 -0.000 0.000) 0.000 59.702 ( 0.000 -0.000 0.000) 0.000 61.046 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/355) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 43.786 -0.000 8.767) 44.655 1.575 ( 47.065 -0.000 26.181) 53.857 2.474 ( 60.664 -0.000 44.688) 75.347 5.217 ( 39.971 -0.000 45.611) 60.647 5.986 ( 2.850 -0.000 -4.872) 5.644 6.197 ( 11.560 -0.000 -14.092) 18.227 9.386 ( 3.148 -0.000 -9.527) 10.033 9.581 ( 3.552 -0.000 2.961) 4.624 9.955 ( 9.375 -0.000 -1.144) 9.445 10.590 ( -6.211 0.000 1.281) 6.341 11.920 ( -10.831 0.000 1.241) 10.902 12.206 ( 14.809 -0.000 8.374) 17.013 13.156 ( 2.869 -0.000 0.260) 2.881 14.072 ( -14.201 0.000 -12.590) 18.978 15.790 ( -0.940 0.000 -1.741) 1.978 16.278 ( 21.572 -0.000 5.055) 22.157 18.344 ( -28.666 0.000 54.741) 61.792 19.221 ( -3.991 0.000 -9.303) 10.123 20.824 ( -10.493 0.000 -6.726) 12.463 21.595 ( 6.203 -0.000 5.297) 8.157 21.884 ( -5.353 0.000 -4.209) 6.810 22.823 ( -27.979 0.000 44.875) 52.883 30.148 ( -0.227 0.000 -30.930) 30.931 30.468 ( -13.969 0.000 9.335) 16.801 31.091 ( 12.524 -0.000 -5.374) 13.628 31.533 ( -0.010 0.000 -2.047) 2.047 31.603 ( 9.978 -0.000 0.054) 9.978 32.743 ( 4.824 -0.000 -0.343) 4.836 35.623 ( 0.891 -0.000 0.576) 1.061 35.792 ( 1.515 -0.000 2.456) 2.886 36.578 ( -1.748 0.000 -2.608) 3.140 36.945 ( 12.081 -0.000 -27.247) 29.805 51.192 ( -1.471 0.000 8.061) 8.194 52.700 ( -6.462 0.000 10.286) 12.147 54.243 ( 4.003 -0.000 -3.213) 5.133 54.474 ( 9.423 -0.000 3.438) 10.030 54.773 ( 2.337 -0.000 0.092) 2.339 56.411 ( 7.043 -0.000 -14.593) 16.204 58.222 ( -3.879 0.000 -0.632) 3.931 58.804 ( -1.913 0.000 0.618) 2.010 60.424 ( -15.709 0.000 31.213) 34.943 60.944 ( -2.922 0.000 -3.198) 4.332 ======================= Grid point 15 (9/355) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 40.453 4.848 9.957) 41.941 2.437 ( 39.505 -1.104 24.065) 46.271 3.772 ( 55.718 -21.320 37.551) 70.492 5.757 ( -5.006 -2.070 20.975) 21.663 5.979 ( 7.316 2.287 -6.523) 10.065 6.718 ( 50.738 -11.461 6.937) 52.477 9.370 ( 3.940 2.668 -5.486) 7.262 9.623 ( 2.669 3.929 3.440) 5.865 10.167 ( 8.822 -10.544 -2.154) 13.915 10.555 ( 0.161 -2.807 3.586) 4.557 11.717 ( -12.835 3.104 -0.298) 13.208 12.513 ( 14.180 -2.117 8.865) 16.857 13.214 ( 4.701 0.776 1.975) 5.158 13.793 ( -12.211 -2.788 -15.156) 19.662 15.835 ( 1.148 -9.329 -3.473) 10.020 16.670 ( 22.230 -4.799 3.399) 22.995 18.238 ( -20.062 9.995 36.208) 42.584 19.099 ( -7.548 -6.444 -11.338) 15.068 20.597 ( -10.508 3.597 -7.182) 13.226 21.683 ( 1.925 5.314 3.595) 6.698 21.755 ( -3.282 0.207 -4.535) 5.602 22.621 ( -17.691 13.111 25.457) 33.659 29.875 ( -5.424 7.170 -17.255) 19.457 30.373 ( -12.191 -3.909 6.151) 14.203 31.253 ( 9.945 -3.721 -4.152) 11.402 31.540 ( -0.661 -4.890 -3.372) 5.977 31.727 ( 9.162 3.269 1.313) 9.816 32.903 ( 4.119 -12.084 -1.038) 12.809 35.645 ( 1.265 -0.051 0.898) 1.552 35.842 ( 2.320 -0.295 3.282) 4.030 36.523 ( -2.501 0.462 -3.466) 4.299 36.899 ( 7.209 4.621 -15.115) 17.372 51.221 ( -2.499 0.872 9.919) 10.266 52.671 ( -3.610 0.514 3.755) 5.234 54.231 ( 5.617 7.712 -3.000) 10.001 54.731 ( 13.341 -8.631 5.799) 16.914 54.872 ( 2.374 -7.411 -0.349) 7.789 56.430 ( 3.098 -3.216 -9.331) 10.344 58.129 ( -6.127 1.934 -2.120) 6.766 58.783 ( -3.453 -2.133 0.656) 4.111 60.306 ( -7.896 15.389 18.557) 25.368 60.910 ( -3.438 -5.344 -3.057) 7.052 ======================= Grid point 16 (10/355) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 34.527 3.704 8.215) 35.684 3.069 ( 30.207 5.784 18.796) 36.044 4.982 ( 38.718 -17.809 29.228) 51.677 5.768 ( -1.661 -4.255 5.148) 6.882 6.063 ( 7.852 -6.044 -6.784) 12.009 7.628 ( 41.222 -6.778 14.459) 44.207 9.369 ( 6.207 3.681 -3.952) 8.227 9.642 ( 2.656 3.201 4.666) 6.251 10.271 ( -0.176 0.747 0.167) 0.785 10.819 ( 12.599 -18.107 1.308) 22.098 11.487 ( -14.186 1.174 -0.381) 14.239 12.709 ( 3.339 -1.136 1.481) 3.826 13.300 ( 5.468 7.965 3.029) 10.126 13.661 ( 2.837 -10.199 -6.879) 12.625 15.988 ( 4.672 -12.801 -3.681) 14.116 17.052 ( 20.051 -4.037 -0.458) 20.459 18.030 ( -17.132 14.555 25.234) 33.795 19.014 ( -10.764 -13.910 -8.381) 19.483 20.348 ( -7.404 6.908 -7.513) 12.609 21.506 ( -9.506 5.414 -4.847) 11.966 21.795 ( 5.668 3.191 2.142) 6.848 22.390 ( -12.646 11.418 14.903) 22.636 29.606 ( -5.886 7.329 -10.892) 14.387 30.280 ( -9.087 -0.908 4.132) 10.024 31.407 ( 7.597 -4.119 -1.859) 8.839 31.571 ( -2.222 -8.053 -4.746) 9.608 31.817 ( 7.744 4.395 2.633) 9.285 33.098 ( 3.931 -11.290 -0.875) 11.987 35.671 ( 1.441 0.392 1.410) 2.054 35.910 ( 3.033 -0.404 3.408) 4.580 36.443 ( -3.311 1.236 -4.408) 5.650 36.854 ( 4.263 3.507 -7.891) 9.630 51.232 ( -3.272 1.634 9.601) 10.274 52.639 ( -1.909 0.362 0.341) 1.972 54.211 ( 6.336 7.181 -1.805) 9.745 54.983 ( 1.829 -7.327 -2.310) 7.897 55.125 ( 16.907 -10.356 9.895) 22.159 56.440 ( 1.154 -2.628 -6.681) 7.272 57.962 ( -8.839 4.027 -4.502) 10.706 58.761 ( -4.833 -3.626 0.394) 6.055 60.126 ( -3.960 16.140 10.185) 19.492 60.920 ( -2.509 -6.327 -1.889) 7.064 ======================= Grid point 17 (11/355) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 27.529 7.190 5.917) 29.061 3.447 ( 20.781 10.427 11.635) 25.999 5.476 ( 2.963 -2.001 8.283) 9.022 5.962 ( 8.548 -1.372 2.831) 9.109 6.417 ( 20.603 -21.764 3.766) 30.205 8.200 ( 23.410 3.253 8.006) 24.954 9.423 ( 7.537 1.146 -2.466) 8.013 9.708 ( 5.414 1.283 6.007) 8.188 10.239 ( -0.298 3.347 1.208) 3.571 11.124 ( -3.638 -6.471 -0.686) 7.456 11.371 ( 1.263 -9.776 0.105) 9.858 12.698 ( -5.526 -4.462 -4.279) 8.292 13.167 ( -3.071 6.061 -9.232) 11.462 14.051 ( 24.093 -6.765 13.825) 28.589 16.210 ( 8.112 -12.119 -3.624) 15.027 17.270 ( 9.811 4.902 -8.214) 13.702 17.805 ( -11.498 8.573 20.825) 25.286 19.010 ( -11.590 -19.288 -2.503) 22.641 20.128 ( -1.848 9.375 -7.518) 12.159 21.260 ( -10.053 5.166 -4.936) 12.333 21.841 ( 4.593 3.657 1.434) 6.043 22.189 ( -10.020 8.098 8.461) 15.413 29.389 ( -3.462 6.528 -7.200) 10.316 30.197 ( -5.207 0.739 2.662) 5.894 31.541 ( 4.670 -4.110 -0.823) 6.275 31.592 ( -4.226 -8.755 -4.407) 10.674 31.890 ( 6.594 4.617 3.731) 8.872 33.269 ( 4.243 -8.033 -0.419) 9.094 35.696 ( 1.532 1.069 1.978) 2.721 35.982 ( 3.015 -0.183 3.134) 4.352 36.341 ( -3.564 1.842 -4.650) 6.141 36.829 ( 1.700 1.406 -3.754) 4.354 51.221 ( -3.507 1.808 7.619) 8.580 52.613 ( -0.875 -0.061 -1.333) 1.595 54.217 ( 6.433 6.234 -0.830) 8.997 55.065 ( 1.662 -5.144 -2.857) 6.115 55.582 ( 17.291 -10.240 11.503) 23.155 56.439 ( 0.566 -1.897 -4.824) 5.215 57.719 ( -10.503 5.641 -6.274) 13.472 58.734 ( -5.599 -4.848 -0.534) 7.425 59.960 ( -1.487 13.734 5.371) 14.821 60.955 ( -1.598 -5.851 -1.039) 6.154 ======================= Grid point 18 (12/355) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 20.571 14.533 4.051) 25.510 3.610 ( 12.318 12.378 6.190) 18.527 5.539 ( 1.290 -1.059 0.574) 1.765 6.039 ( 2.252 -0.562 -3.216) 3.966 6.909 ( 9.159 -12.943 2.531) 16.057 8.402 ( 13.231 10.607 2.696) 17.170 9.488 ( 4.288 1.247 -0.796) 4.536 9.825 ( 3.823 0.970 5.578) 6.832 10.213 ( 0.382 1.956 0.007) 1.993 11.031 ( -5.165 -0.033 1.944) 5.519 11.573 ( 3.701 -8.501 -0.864) 9.312 12.652 ( -6.131 -9.884 -6.454) 13.302 13.014 ( -0.761 3.250 -9.683) 10.242 14.535 ( 19.403 1.666 15.347) 24.795 16.439 ( 10.000 -6.888 -3.227) 12.564 17.095 ( -6.972 9.182 -7.948) 14.003 17.823 ( 1.993 2.674 12.194) 12.642 19.106 ( -9.130 -21.890 3.705) 24.006 19.967 ( 2.783 10.819 -6.993) 13.179 21.053 ( -6.896 2.047 -3.726) 8.101 21.863 ( 1.800 2.252 0.818) 2.996 22.024 ( -7.190 5.168 3.906) 9.678 29.261 ( 0.916 4.530 -4.316) 6.324 30.154 ( -1.154 0.991 1.606) 2.213 31.572 ( -5.158 -7.557 -5.626) 10.741 31.641 ( -0.133 -3.846 1.837) 4.264 31.952 ( 5.752 4.864 4.454) 8.751 33.405 ( 4.629 -4.004 0.002) 6.120 35.716 ( 1.497 1.887 2.301) 3.331 36.032 ( 0.766 0.468 1.896) 2.097 36.251 ( -1.807 0.873 -2.744) 3.400 36.811 ( -0.643 -0.076 -1.997) 2.099 51.196 ( -3.171 1.222 4.703) 5.802 52.596 ( -0.304 -0.566 -2.000) 2.101 54.231 ( 5.910 5.977 -0.546) 8.423 55.115 ( 1.354 -2.976 -3.195) 4.572 55.972 ( 10.848 -5.160 7.981) 14.422 56.442 ( 0.989 -1.453 -2.444) 3.010 57.484 ( -6.231 3.870 -3.926) 8.320 58.706 ( -5.985 -6.093 -2.154) 8.808 59.839 ( 0.807 10.424 3.232) 10.944 60.990 ( -1.565 -4.694 -0.668) 4.993 ======================= Grid point 19 (13/355) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 11.543 20.196 2.408) 23.386 3.610 ( 7.014 16.374 3.062) 18.075 5.550 ( 2.238 1.274 -5.746) 6.297 6.002 ( -3.285 -0.011 -6.224) 7.038 6.987 ( -7.196 -0.276 -4.869) 8.693 8.421 ( 8.522 14.110 -0.194) 16.485 9.517 ( 2.623 1.100 -0.741) 2.939 9.789 ( -7.981 6.671 4.743) 11.433 10.182 ( -1.576 1.049 -1.024) 2.152 11.091 ( 8.409 -2.799 1.337) 8.963 11.640 ( -2.820 -2.706 0.964) 4.025 12.661 ( -4.992 -10.535 -5.846) 13.041 12.939 ( 2.055 -0.142 -8.761) 8.999 14.695 ( 4.008 15.074 9.588) 18.309 16.584 ( 7.107 3.237 -0.615) 7.834 16.921 ( -2.799 -4.373 -6.572) 8.375 17.863 ( 2.558 7.185 4.283) 8.747 19.327 ( -2.308 -22.157 9.002) 24.027 19.835 ( 3.021 11.936 -5.204) 13.367 20.989 ( -0.174 -4.067 -2.276) 4.664 21.811 ( -7.141 1.952 1.988) 7.665 21.952 ( 0.909 0.250 -1.274) 1.585 29.255 ( 6.261 1.601 -1.755) 6.697 30.165 ( 2.681 0.450 0.809) 2.836 31.534 ( -7.444 -7.497 -4.434) 11.458 31.659 ( -3.716 -1.439 2.056) 4.484 32.001 ( 4.970 5.684 4.873) 8.986 33.500 ( 5.268 0.430 0.470) 5.307 35.725 ( 1.326 2.630 2.267) 3.717 35.999 ( -3.811 1.082 -0.922) 4.068 36.256 ( 2.197 -1.283 1.719) 3.070 36.778 ( -2.932 -0.865 -1.673) 3.485 51.168 ( -2.538 0.065 1.589) 2.995 52.590 ( -0.007 -1.076 -2.127) 2.384 54.236 ( 5.339 6.246 -0.673) 8.245 55.126 ( 0.311 -0.712 -3.970) 4.046 56.042 ( -3.716 5.469 -2.021) 6.914 56.478 ( 2.301 -0.824 1.306) 2.771 57.475 ( 6.192 -3.024 4.040) 7.988 58.676 ( -6.068 -7.500 -4.008) 10.447 59.781 ( 2.739 6.972 2.236) 7.817 61.006 ( -2.375 -3.356 -0.492) 4.141 ======================= Grid point 20 (14/355) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -2.491 22.196 0.409) 22.339 3.465 ( 5.741 25.609 -0.718) 26.255 5.438 ( -5.843 5.816 -15.329) 17.406 5.887 ( -2.616 1.186 -6.701) 7.291 6.705 ( -14.070 10.808 -6.493) 18.893 8.273 ( -1.608 19.776 -4.514) 20.349 9.491 ( -10.375 -2.596 -4.556) 11.625 9.596 ( 0.072 12.093 8.489) 14.775 10.162 ( 0.711 -0.981 -1.289) 1.769 11.266 ( 7.569 -4.945 -4.143) 9.945 11.577 ( -6.929 4.529 2.447) 8.632 12.642 ( -6.655 -5.716 -1.619) 8.921 12.954 ( 3.552 -4.382 -8.408) 10.125 14.524 ( -0.401 21.981 8.147) 23.446 16.558 ( 1.441 9.751 0.471) 9.868 16.998 ( 1.411 -12.560 -5.383) 13.737 17.785 ( 2.421 11.369 -3.901) 12.261 19.685 ( 4.650 -20.336 11.136) 23.647 19.697 ( 2.692 12.149 -1.252) 12.506 21.099 ( 5.021 -9.109 -1.782) 10.553 21.686 ( -9.189 0.174 1.906) 9.387 21.975 ( 1.205 -3.666 -4.738) 6.111 29.379 ( 11.254 -1.263 0.435) 11.333 30.232 ( 5.980 -0.551 0.079) 6.006 31.473 ( -9.084 -6.559 -2.728) 11.532 31.597 ( -7.297 0.076 1.791) 7.514 32.026 ( 4.132 7.127 5.124) 9.702 33.559 ( 6.708 4.971 1.245) 8.442 35.724 ( 1.158 3.080 2.035) 3.869 35.913 ( -5.290 0.274 -1.134) 5.417 36.341 ( 3.141 -2.435 3.839) 5.526 36.719 ( -5.506 -1.505 -1.847) 5.999 51.144 ( -1.962 -1.258 -1.119) 2.585 52.593 ( 0.227 -1.591 -2.036) 2.594 54.233 ( 5.506 6.666 -0.608) 8.667 55.071 ( -2.751 1.790 -6.171) 6.989 55.804 ( -8.578 11.358 -3.719) 14.711 56.538 ( 3.384 0.212 3.301) 4.732 57.715 ( 11.046 -5.469 7.036) 14.193 58.656 ( -5.571 -9.220 -5.610) 12.146 59.775 ( 3.566 4.016 0.704) 5.417 60.995 ( -3.490 -2.496 -0.077) 4.292 ======================= Grid point 21 (15/355) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -12.866 26.203 -2.525) 29.301 3.134 ( 0.567 34.120 -6.385) 34.717 4.920 ( -26.548 18.257 -24.688) 40.591 5.866 ( 6.670 2.058 -3.907) 8.000 6.319 ( -9.826 15.103 -6.675) 19.215 7.775 ( -20.916 28.483 -7.313) 36.087 9.337 ( -7.325 -1.430 1.231) 7.564 9.594 ( 5.922 7.819 3.889) 10.551 10.217 ( 4.213 -3.569 -0.944) 5.602 11.279 ( -8.789 11.380 -5.291) 15.321 11.384 ( -6.546 -4.744 -2.630) 8.502 12.615 ( -2.248 -0.484 1.288) 2.635 13.007 ( 1.787 -5.822 -4.474) 7.557 14.379 ( 6.241 18.528 9.970) 21.946 16.432 ( -2.057 11.877 3.496) 12.551 17.090 ( -2.388 -5.435 -3.396) 6.839 17.662 ( 7.566 6.016 -16.515) 19.136 19.571 ( 0.376 9.937 0.719) 9.970 20.118 ( 11.100 -15.792 12.464) 22.977 21.274 ( 3.728 -9.436 -3.958) 10.890 21.586 ( -8.516 -3.790 3.656) 10.013 21.996 ( -0.475 -6.646 -8.823) 11.056 29.606 ( 14.539 -2.995 2.093) 14.992 30.351 ( 8.414 -1.913 -0.807) 8.666 31.373 ( -11.215 -2.395 -0.022) 11.468 31.493 ( -8.979 -2.443 0.768) 9.337 32.020 ( 3.272 9.051 5.167) 10.924 33.606 ( 9.990 9.252 2.778) 13.897 35.716 ( 1.172 3.361 1.786) 3.982 35.830 ( -5.629 -0.734 -0.426) 5.693 36.448 ( 3.013 -2.855 4.268) 5.953 36.627 ( -8.980 -2.813 -1.491) 9.528 51.125 ( -1.627 -2.329 -2.886) 4.050 52.606 ( 0.554 -2.074 -2.013) 2.943 54.236 ( 6.636 6.975 -0.133) 9.629 54.907 ( -7.364 4.677 -8.139) 11.931 55.543 ( -4.822 11.947 -0.734) 12.905 56.626 ( 5.725 1.574 6.527) 8.824 57.962 ( 8.188 -3.990 5.010) 10.395 58.658 ( -4.768 -10.932 -7.057) 13.858 59.781 ( 2.370 1.982 -2.787) 4.161 60.970 ( -4.171 -2.560 0.830) 4.964 ======================= Grid point 22 (16/355) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -18.494 30.037 -5.834) 35.753 2.575 ( -6.256 41.386 -12.768) 43.760 3.950 ( -34.652 37.822 -22.812) 56.139 5.863 ( -15.912 9.896 -1.894) 18.833 5.984 ( 14.959 13.226 -20.003) 28.264 7.008 ( -28.092 28.487 3.677) 40.177 9.320 ( -1.773 -3.022 2.153) 4.112 9.615 ( 6.714 8.133 2.878) 10.932 10.349 ( 6.631 -4.177 0.499) 7.853 10.829 ( -15.615 19.703 -3.531) 25.387 11.380 ( -7.944 -13.323 -6.025) 16.641 12.567 ( 0.051 6.963 -0.822) 7.011 13.105 ( 2.950 -6.500 1.788) 7.358 14.390 ( 10.189 12.027 8.629) 17.970 16.278 ( -5.479 11.974 9.245) 16.089 16.981 ( -2.552 12.419 0.660) 12.695 17.676 ( 13.095 -9.028 -32.435) 36.125 19.483 ( 0.067 7.379 2.458) 7.778 20.528 ( 11.230 -10.956 10.502) 18.879 21.290 ( -7.694 -4.846 -6.341) 11.085 21.632 ( -2.112 -10.368 4.322) 11.430 21.993 ( -2.146 -8.501 -12.808) 15.521 29.881 ( 14.653 -3.002 3.209) 15.297 30.508 ( 9.953 -3.585 -2.222) 10.810 31.207 ( -13.412 0.541 2.699) 13.692 31.416 ( -8.296 -5.007 0.259) 9.694 31.976 ( 2.449 11.129 4.695) 12.325 33.693 ( 16.880 12.831 5.746) 21.968 35.702 ( 1.331 3.954 1.343) 4.383 35.763 ( -5.533 -1.920 0.637) 5.891 36.478 ( -10.253 -2.685 -2.954) 11.003 36.570 ( -1.561 -4.918 5.977) 7.896 51.112 ( -1.432 -2.883 -3.262) 4.583 52.629 ( 0.974 -2.380 -2.350) 3.484 54.261 ( 8.049 7.044 0.355) 10.702 54.664 ( -8.521 6.389 -6.183) 12.315 55.366 ( -1.166 10.586 -0.023) 10.650 56.770 ( 10.300 4.143 12.385) 16.633 58.111 ( 3.341 -2.922 2.089) 4.906 58.670 ( -5.163 -12.055 -9.149) 15.990 59.733 ( -1.901 0.917 -8.896) 9.143 60.953 ( -3.835 -3.196 1.770) 5.297 ======================= Grid point 23 (17/355) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -19.054 32.481 -9.727) 38.893 1.800 ( -12.640 46.642 -16.106) 50.938 2.794 ( -24.730 58.891 -11.218) 64.851 5.163 ( -20.511 34.658 -20.917) 45.381 6.011 ( 7.612 5.931 -4.549) 10.669 6.523 ( -11.418 12.964 11.457) 20.729 9.356 ( -0.868 -3.179 2.030) 3.871 9.631 ( 6.193 8.604 2.113) 10.810 10.265 ( -10.992 17.834 -0.804) 20.965 10.622 ( 6.644 -4.330 0.133) 7.932 11.391 ( -8.761 -16.156 -4.700) 18.970 12.443 ( 0.055 11.795 -1.978) 11.960 13.260 ( 4.759 -5.500 4.864) 8.750 14.472 ( 8.491 6.319 4.050) 11.333 16.110 ( -7.527 11.704 10.354) 17.345 16.871 ( 8.728 17.115 17.070) 25.700 17.709 ( 9.810 -12.890 -52.229) 54.684 19.425 ( -0.517 4.927 2.277) 5.452 20.820 ( 4.838 -6.913 4.832) 9.724 21.142 ( -11.711 -3.113 -5.137) 13.162 21.742 ( -4.545 -12.024 -1.105) 12.902 21.967 ( -1.421 -6.289 -10.754) 12.539 30.115 ( 9.097 -1.517 3.542) 9.879 30.694 ( 12.244 -4.300 -4.896) 13.870 31.030 ( -15.033 -1.819 5.830) 16.226 31.376 ( -4.922 -4.548 0.299) 6.708 31.891 ( 1.623 12.672 3.269) 13.187 33.916 ( 28.727 12.887 10.274) 33.119 35.675 ( 0.688 3.717 0.457) 3.808 35.727 ( -4.401 -2.284 2.213) 5.430 36.279 ( -20.443 -4.681 -2.475) 21.118 36.651 ( -0.249 -3.455 4.159) 5.413 51.109 ( -1.040 -2.838 -2.126) 3.696 52.656 ( 1.229 -2.263 -2.938) 3.907 54.300 ( 7.781 6.681 0.040) 10.256 54.451 ( -6.035 5.930 -2.163) 8.733 55.254 ( 1.583 8.168 -0.141) 8.321 57.038 ( 20.728 7.018 23.622) 32.201 58.158 ( -3.085 -3.811 -2.332) 5.429 58.649 ( -8.545 -13.322 -13.030) 20.501 59.551 ( -9.045 2.959 -15.620) 18.291 60.959 ( -2.466 -3.355 1.626) 4.470 ======================= Grid point 24 (18/355) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.000 38.090 -0.000) 38.090 1.031 ( -0.000 47.597 -0.000) 47.597 1.758 ( -0.000 72.395 -0.000) 72.395 4.445 ( -0.000 36.793 -0.000) 36.793 5.984 ( -0.000 4.066 -0.000) 4.066 6.406 ( -0.000 5.065 -0.000) 5.065 9.391 ( 0.000 -2.358 0.000) 2.358 9.590 ( -0.000 7.681 -0.000) 7.681 9.964 ( -0.000 14.101 -0.000) 14.101 10.763 ( 0.000 -5.149 0.000) 5.149 11.490 ( 0.000 -17.013 0.000) 17.013 12.275 ( -0.000 14.438 -0.000) 14.438 13.407 ( 0.000 -5.724 0.000) 5.724 14.501 ( -0.000 3.273 -0.000) 3.273 15.950 ( -0.000 9.734 -0.000) 9.734 17.193 ( 0.000 -5.287 0.000) 5.287 17.408 ( -0.000 5.828 -0.000) 5.828 19.379 ( -0.000 3.221 -0.000) 3.221 20.824 ( -0.000 0.771 -0.000) 0.771 21.072 ( 0.000 -1.463 0.000) 1.463 21.788 ( 0.000 -8.102 0.000) 8.102 21.973 ( 0.000 -2.366 0.000) 2.366 30.203 ( 0.000 -0.275 0.000) 0.275 30.815 ( -0.000 3.686 -0.000) 3.686 30.990 ( 0.000 -13.172 0.000) 13.172 31.389 ( 0.000 -3.134 0.000) 3.134 31.765 ( -0.000 12.896 -0.000) 12.896 34.277 ( 0.000 -2.112 0.000) 2.112 35.653 ( -0.000 3.775 -0.000) 3.775 35.708 ( 0.000 -3.009 0.000) 3.009 36.017 ( -0.000 3.390 -0.000) 3.390 36.695 ( 0.000 -2.110 0.000) 2.110 51.123 ( 0.000 -2.209 0.000) 2.209 52.676 ( 0.000 -1.528 0.000) 1.528 54.296 ( -0.000 6.985 -0.000) 6.985 54.335 ( -0.000 2.272 -0.000) 2.272 55.214 ( -0.000 3.654 -0.000) 3.654 57.523 ( 0.000 -5.655 0.000) 5.655 58.025 ( 0.000 -0.586 0.000) 0.586 58.599 ( 0.000 -10.088 0.000) 10.088 59.244 ( -0.000 14.223 -0.000) 14.223 60.981 ( 0.000 -2.510 0.000) 2.510 ======================= Grid point 27 (19/355) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 30.222 -0.000 7.886) 31.234 3.279 ( 43.284 -0.000 25.102) 50.036 4.664 ( 50.351 -0.000 30.555) 58.897 5.706 ( -8.136 0.000 4.098) 9.109 6.013 ( 5.626 -0.000 -9.125) 10.721 7.546 ( 50.330 -0.000 17.143) 53.170 9.437 ( 6.122 -0.000 -2.583) 6.644 9.710 ( 1.364 -0.000 3.354) 3.621 10.245 ( 13.071 -0.000 -3.468) 13.523 10.576 ( 2.600 -0.000 5.637) 6.207 11.499 ( -16.326 0.000 -1.723) 16.416 12.690 ( 1.869 -0.000 2.939) 3.483 13.436 ( 20.122 -0.000 12.792) 23.844 13.514 ( -9.009 0.000 -15.975) 18.340 15.811 ( 6.772 -0.000 -4.185) 7.961 17.003 ( 23.147 -0.000 1.988) 23.232 18.256 ( -17.321 0.000 29.937) 34.586 18.799 ( -13.944 0.000 -15.777) 21.056 20.430 ( -8.261 0.000 -6.655) 10.608 21.570 ( -10.220 0.000 -7.463) 12.655 21.838 ( 5.546 -0.000 3.937) 6.801 22.554 ( -19.578 0.000 17.735) 26.416 29.726 ( -3.843 0.000 -17.798) 18.208 30.243 ( -9.665 0.000 8.585) 12.927 31.345 ( 8.007 -0.000 -1.573) 8.160 31.471 ( -1.697 0.000 -3.843) 4.201 31.878 ( 7.324 -0.000 1.968) 7.583 32.940 ( 8.552 -0.000 0.186) 8.554 35.679 ( 2.140 -0.000 1.411) 2.563 35.902 ( 2.351 -0.000 4.835) 5.376 36.458 ( -3.144 0.000 -4.109) 5.174 36.902 ( 3.186 -0.000 -11.269) 11.711 51.253 ( -4.223 0.000 11.595) 12.340 52.643 ( -2.354 0.000 0.252) 2.367 54.383 ( 9.060 -0.000 -3.269) 9.632 54.743 ( 5.216 -0.000 -5.583) 7.640 55.063 ( 15.041 -0.000 13.162) 19.986 56.405 ( 2.650 -0.000 -6.846) 7.341 58.015 ( -8.325 0.000 -4.007) 9.239 58.705 ( -5.507 0.000 -0.069) 5.507 60.400 ( -7.526 0.000 14.628) 16.451 60.781 ( -3.449 0.000 -5.275) 6.303 ======================= Grid point 28 (20/355) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 22.674 -1.018 7.220) 23.817 3.931 ( 38.871 18.840 21.525) 48.262 5.462 ( 17.074 2.259 10.863) 20.363 5.766 ( 15.865 -17.538 9.917) 25.644 6.046 ( 6.852 -3.203 -11.041) 13.383 8.271 ( 34.522 1.749 10.923) 36.252 9.504 ( 7.498 3.709 -0.914) 8.415 9.736 ( 1.216 0.771 4.329) 4.562 10.367 ( 9.029 7.443 -1.058) 11.749 10.800 ( 10.367 -15.281 2.988) 18.706 11.263 ( -14.384 -1.237 0.001) 14.437 12.616 ( -10.190 -1.926 -4.837) 11.443 13.278 ( -5.469 2.708 -15.409) 16.573 13.967 ( 31.005 -1.190 21.886) 37.970 15.963 ( 12.826 -6.486 -5.718) 15.468 17.335 ( 20.757 1.101 -0.898) 20.805 18.095 ( -17.333 13.738 18.456) 28.806 18.567 ( -17.307 -16.624 -7.148) 25.040 20.275 ( -4.061 3.021 -6.418) 8.173 21.342 ( -11.611 1.704 -8.232) 14.334 21.921 ( 4.339 2.116 2.522) 5.446 22.356 ( -16.643 4.500 11.756) 20.867 29.543 ( -1.511 4.848 -13.443) 14.370 30.188 ( -6.505 -1.172 6.558) 9.311 31.429 ( -3.070 -3.628 -4.649) 6.648 31.455 ( 4.893 -2.592 0.529) 5.562 31.976 ( 5.871 2.174 2.922) 6.909 33.105 ( 9.029 -4.400 0.421) 10.053 35.723 ( 2.718 0.808 2.184) 3.579 35.975 ( 2.288 -0.275 5.400) 5.871 36.373 ( -3.668 0.761 -4.569) 5.909 36.859 ( 0.774 0.812 -7.384) 7.469 51.256 ( -5.353 0.874 10.874) 12.151 52.610 ( -1.129 -0.117 -2.387) 2.643 54.432 ( 10.262 10.397 -2.169) 14.769 54.849 ( 3.575 -11.239 -6.600) 13.515 55.429 ( 18.726 -2.571 15.613) 24.516 56.400 ( 1.773 -1.022 -5.827) 6.176 57.827 ( -10.194 2.751 -6.104) 12.196 58.626 ( -7.337 -3.048 -0.816) 7.987 60.303 ( -4.351 12.617 8.463) 15.804 60.766 ( -2.858 -8.713 -3.129) 9.689 ======================= Grid point 29 (21/355) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 13.993 0.339 6.108) 15.272 4.286 ( 35.336 32.151 14.310) 49.870 5.527 ( 3.517 1.061 -0.135) 3.676 6.035 ( 2.550 0.153 -3.834) 4.607 6.471 ( 18.676 -22.577 1.844) 29.359 8.653 ( 20.401 8.179 3.212) 22.213 9.547 ( 5.125 4.267 -0.110) 6.670 9.823 ( 4.197 -2.161 5.841) 7.510 10.358 ( 6.054 11.249 1.181) 12.829 11.018 ( -3.285 -1.845 2.259) 4.393 11.275 ( 5.454 -15.281 0.810) 16.245 12.438 ( -12.512 -6.854 -8.790) 16.757 13.082 ( -2.371 2.462 -14.731) 15.123 14.577 ( 28.104 1.490 22.599) 36.094 16.239 ( 18.012 -8.044 -6.925) 20.907 17.402 ( -1.978 14.883 -7.568) 16.813 17.894 ( -1.170 3.342 13.967) 14.409 18.570 ( -13.981 -22.109 4.454) 26.535 20.155 ( 0.283 5.072 -6.442) 8.204 21.096 ( -11.078 1.265 -7.842) 13.631 21.946 ( 1.893 3.729 1.409) 4.413 22.147 ( -12.940 4.495 7.066) 15.413 29.398 ( 1.950 6.061 -9.372) 11.330 30.167 ( -2.590 -0.248 4.243) 4.977 31.392 ( -5.501 -6.162 -4.836) 9.572 31.553 ( 1.774 -3.416 2.174) 4.420 32.047 ( 4.972 2.956 3.803) 6.923 33.295 ( 8.935 -4.398 0.518) 9.973 35.766 ( 2.900 1.973 3.133) 4.703 36.040 ( 1.049 0.156 4.809) 4.924 36.276 ( -3.165 1.061 -4.454) 5.565 36.809 ( -1.260 -0.050 -4.587) 4.757 51.229 ( -5.727 1.254 8.473) 10.303 52.581 ( -0.337 -0.580 -3.809) 3.868 54.435 ( 9.521 10.743 -1.729) 14.459 54.982 ( 3.885 -8.434 -5.557) 10.822 55.849 ( 16.944 -4.074 14.150) 22.448 56.402 ( 1.588 -1.607 -4.767) 5.276 57.589 ( -9.285 4.222 -6.040) 11.854 58.553 ( -8.415 -5.676 -1.903) 10.327 60.142 ( -1.360 13.801 4.499) 14.579 60.823 ( -2.385 -9.073 -1.552) 9.509 ======================= Grid point 30 (22/355) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 4.795 4.467 5.238) 8.389 4.426 ( 32.492 39.394 7.504) 51.613 5.582 ( 6.553 1.507 -2.837) 7.298 5.997 ( -2.120 -0.193 -7.768) 8.054 6.829 ( 2.074 -12.733 -3.287) 13.313 8.772 ( 13.495 12.864 -0.748) 18.659 9.545 ( 0.213 2.425 -0.909) 2.599 9.921 ( 0.061 1.501 6.398) 6.572 10.303 ( 4.054 11.289 1.119) 12.047 11.046 ( 4.341 -0.586 4.316) 6.150 11.484 ( -0.564 -10.140 -0.426) 10.164 12.361 ( -4.836 -13.404 -9.259) 16.994 12.950 ( 0.345 0.888 -13.258) 13.292 14.970 ( 13.589 7.565 13.408) 20.534 16.539 ( 16.276 -5.963 -7.657) 18.950 17.041 ( -10.294 14.262 -1.657) 17.667 18.022 ( 7.914 5.259 9.979) 13.779 18.751 ( -5.889 -25.216 9.801) 27.687 20.060 ( 2.106 6.911 -6.587) 9.777 20.913 ( -7.001 -2.524 -6.159) 9.660 21.886 ( -6.692 4.311 3.062) 8.530 21.999 ( -4.189 2.553 0.851) 4.979 29.338 ( 6.483 4.902 -6.030) 10.120 30.180 ( 1.488 0.455 2.513) 2.956 31.345 ( -7.633 -7.431 -4.398) 11.525 31.607 ( -2.270 -2.797 3.215) 4.829 32.106 ( 4.365 3.266 4.356) 6.978 33.471 ( 9.062 -2.305 0.632) 9.372 35.801 ( 2.636 3.281 3.832) 5.692 36.034 ( -3.834 1.663 0.799) 4.255 36.233 ( 0.980 -0.653 -0.563) 1.305 36.757 ( -3.184 -0.951 -3.216) 4.624 51.181 ( -5.431 0.863 5.301) 7.639 52.561 ( -0.006 -1.168 -4.205) 4.364 54.432 ( 8.418 9.684 -1.904) 12.972 55.079 ( 4.083 -3.537 -4.316) 6.914 56.118 ( 5.065 1.399 4.213) 6.735 56.436 ( 3.040 -2.581 -1.024) 4.118 57.448 ( -0.014 0.683 0.138) 0.697 58.488 ( -8.872 -7.497 -3.235) 12.057 60.013 ( 1.136 11.619 2.952) 12.042 60.876 ( -2.834 -7.456 -1.262) 8.075 ======================= Grid point 31 (23/355) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( -3.542 10.367 4.240) 11.747 4.401 ( 26.665 43.496 1.847) 51.052 5.580 ( 1.115 5.869 -9.450) 11.180 5.903 ( 0.391 0.236 -8.541) 8.553 6.831 ( -6.794 -0.526 -4.579) 8.210 8.748 ( 8.815 17.683 -2.800) 19.956 9.450 ( -9.795 0.520 -4.378) 10.741 9.873 ( -2.673 7.545 7.767) 11.153 10.241 ( 4.399 10.080 1.368) 11.083 11.148 ( 2.446 -3.718 -4.554) 6.368 11.560 ( -1.393 -5.685 4.274) 7.248 12.439 ( -0.509 -11.210 -4.515) 12.095 12.891 ( 3.294 -1.258 -11.931) 12.441 14.977 ( 0.258 14.531 2.904) 14.821 16.696 ( 0.659 -10.349 -8.680) 13.523 16.843 ( 3.167 14.195 5.458) 15.535 18.083 ( 6.527 11.882 5.908) 14.788 19.138 ( 5.893 -24.834 13.867) 29.047 19.944 ( 0.317 8.415 -5.694) 10.165 20.891 ( -0.019 -8.334 -4.157) 9.313 21.727 ( -10.288 3.244 2.794) 11.144 21.942 ( -1.604 0.380 -2.707) 3.169 29.393 ( 11.413 2.349 -3.240) 12.094 30.235 ( 5.001 0.527 1.235) 5.178 31.286 ( -9.287 -8.085 -3.373) 12.767 31.590 ( -6.531 -1.136 3.504) 7.498 32.155 ( 3.814 3.836 4.548) 7.067 33.622 ( 9.640 0.711 0.940) 9.711 35.816 ( 1.735 4.335 4.192) 6.275 35.933 ( -5.692 1.407 -1.672) 6.097 36.289 ( 2.647 -1.914 2.436) 4.075 36.688 ( -5.125 -1.230 -3.075) 6.102 51.128 ( -4.755 -0.149 2.217) 5.249 52.551 ( 0.037 -1.782 -3.882) 4.272 54.426 ( 7.898 8.858 -2.120) 12.056 55.115 ( 2.656 1.615 -4.078) 5.128 56.031 ( -5.999 7.855 -3.766) 10.577 56.514 ( 3.487 -2.162 0.743) 4.170 57.594 ( 10.566 -4.393 7.396) 13.625 58.429 ( -8.831 -8.952 -4.461) 13.343 59.939 ( 2.893 8.849 2.098) 9.544 60.896 ( -4.135 -5.763 -1.148) 7.186 ======================= Grid point 32 (24/355) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -10.406 17.500 1.695) 20.431 4.166 ( 14.141 45.291 -4.465) 47.657 5.298 ( -9.336 13.759 -16.153) 23.181 5.930 ( 10.340 3.394 -4.839) 11.910 6.637 ( -6.161 10.325 -3.345) 12.480 8.473 ( -7.694 28.809 -6.727) 30.568 9.250 ( -11.620 -4.461 -3.570) 12.949 9.847 ( 4.444 8.485 8.300) 12.674 10.218 ( 5.521 6.898 0.667) 8.860 11.129 ( -6.670 -8.678 -9.747) 14.656 11.569 ( -4.765 5.259 1.857) 7.335 12.539 ( 1.864 -6.023 3.192) 7.067 12.899 ( 3.840 -2.870 -9.372) 10.527 14.788 ( -0.515 14.370 0.109) 14.380 16.750 ( 1.735 14.061 4.859) 14.978 16.779 ( -1.692 -13.538 -6.506) 15.115 18.014 ( 5.649 17.586 0.262) 18.473 19.646 ( 11.069 -16.465 10.954) 22.663 19.822 ( 1.307 3.985 0.924) 4.295 21.026 ( 4.292 -11.524 -3.331) 12.740 21.560 ( -10.802 1.645 2.109) 11.128 21.892 ( -3.149 -2.453 -5.316) 6.648 29.566 ( 15.527 -0.330 -1.091) 15.569 30.328 ( 7.128 -0.060 0.181) 7.130 31.221 ( -10.180 -8.171 -2.167) 13.232 31.495 ( -10.044 0.507 3.337) 10.596 32.186 ( 3.209 4.959 4.460) 7.402 33.754 ( 10.922 3.632 1.653) 11.628 35.793 ( -4.232 1.844 2.947) 5.477 35.844 ( -0.448 3.164 -0.395) 3.220 36.377 ( 2.538 -2.878 3.428) 5.146 36.589 ( -7.219 -0.944 -3.694) 8.164 51.080 ( -3.936 -1.384 -0.134) 4.175 52.552 ( 0.028 -2.381 -3.120) 3.925 54.426 ( 8.102 8.110 -2.164) 11.667 55.048 ( -0.897 7.052 -4.350) 8.334 55.796 ( -6.468 9.446 -3.404) 11.943 56.614 ( 5.577 -2.419 2.302) 6.501 57.866 ( 10.337 -4.007 7.238) 13.240 58.386 ( -8.187 -10.629 -5.509) 14.504 59.904 ( 3.387 7.013 0.746) 7.824 60.881 ( -5.419 -4.779 -0.570) 7.248 ======================= Grid point 33 (25/355) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -14.422 24.993 -2.668) 28.979 3.664 ( -2.233 44.246 -10.317) 45.488 4.802 ( -5.645 33.233 -12.718) 36.029 5.974 ( 0.980 4.545 -0.271) 4.658 6.421 ( 8.277 17.879 -9.044) 21.678 7.777 ( -25.590 34.447 -5.227) 43.229 9.203 ( -3.439 -6.406 -0.928) 7.330 9.888 ( 8.896 11.357 7.660) 16.334 10.259 ( 6.138 0.150 -0.285) 6.147 11.053 ( -9.446 -9.997 -10.508) 17.308 11.302 ( -13.505 14.619 -0.233) 19.903 12.668 ( 5.034 0.319 4.138) 6.524 12.939 ( 1.903 -5.791 -3.716) 7.139 14.664 ( 3.054 9.795 0.165) 10.262 16.609 ( -2.838 15.727 10.794) 19.285 16.882 ( -0.222 -14.061 -11.595) 18.226 17.864 ( 7.299 18.451 -5.654) 20.633 19.652 ( -1.301 6.465 -1.478) 6.758 20.223 ( 15.000 -14.410 14.527) 25.371 21.187 ( 2.913 -7.483 -4.793) 9.352 21.419 ( -10.578 -3.977 2.517) 11.578 21.838 ( -4.118 -5.130 -7.247) 9.787 29.823 ( 17.388 -1.862 0.296) 17.490 30.440 ( 6.705 -1.734 -0.798) 6.972 31.152 ( -9.692 -6.131 -1.150) 11.525 31.349 ( -11.488 0.037 3.069) 11.891 32.189 ( 2.431 6.636 3.922) 8.083 33.890 ( 13.097 4.988 2.906) 14.313 35.714 ( -7.026 -1.628 0.872) 7.265 35.821 ( 2.521 5.535 2.223) 6.475 36.445 ( -9.685 -0.556 -3.679) 10.375 36.475 ( 2.188 -3.316 2.683) 4.794 51.046 ( -2.980 -2.442 -1.327) 4.075 52.566 ( 0.109 -2.863 -2.191) 3.607 54.438 ( 7.925 6.962 -2.496) 10.840 54.876 ( -3.270 11.370 -2.289) 12.050 55.594 ( -3.651 8.797 -2.352) 9.810 56.779 ( 9.202 -2.952 5.541) 11.140 58.049 ( 3.695 -2.235 3.639) 5.647 58.370 ( -6.341 -11.545 -6.489) 14.684 59.860 ( 1.890 7.321 -1.595) 7.728 60.856 ( -5.334 -4.787 0.537) 7.187 ======================= Grid point 34 (26/355) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -12.883 31.611 -6.102) 34.676 2.944 ( -10.421 45.912 -10.172) 48.166 4.173 ( -0.422 54.986 -4.362) 55.160 5.772 ( -12.143 12.950 -2.508) 17.929 6.351 ( 23.277 22.265 -16.130) 36.024 6.985 ( -27.431 27.189 7.825) 39.408 9.247 ( -0.906 -5.927 -0.002) 5.996 9.920 ( 9.524 14.331 5.180) 17.970 10.383 ( 4.419 -5.597 0.270) 7.136 10.819 ( -9.628 16.693 -5.708) 20.098 11.054 ( -10.478 -9.855 -2.258) 14.560 12.682 ( 2.255 8.033 0.116) 8.345 13.066 ( 2.474 -9.881 1.701) 10.327 14.626 ( 3.505 5.843 0.002) 6.814 16.450 ( -3.544 16.246 11.325) 20.118 16.932 ( -0.967 -9.215 -8.692) 12.705 17.738 ( 8.882 13.424 -10.461) 19.197 19.557 ( -1.107 5.807 0.238) 5.917 20.644 ( 10.652 -8.471 9.678) 16.700 21.148 ( -4.681 2.850 -2.702) 6.110 21.432 ( -5.699 -13.833 -1.914) 15.083 21.817 ( -1.847 -6.759 -5.091) 8.661 30.087 ( 13.880 -1.060 0.950) 13.952 30.551 ( 3.850 -5.987 -1.641) 7.305 31.049 ( -8.399 1.271 0.545) 8.512 31.248 ( -7.424 -5.310 1.628) 9.272 32.149 ( 1.366 8.650 2.516) 9.111 34.067 ( 13.989 2.738 3.882) 14.773 35.649 ( -5.994 -2.768 0.716) 6.641 35.808 ( 2.636 5.994 2.617) 7.052 36.259 ( -10.303 1.361 -4.492) 11.321 36.564 ( 1.116 -3.866 2.333) 4.651 51.035 ( -1.691 -3.064 -1.216) 3.705 52.592 ( 0.212 -3.037 -1.278) 3.302 54.444 ( 4.850 5.102 -3.265) 7.759 54.686 ( -1.309 13.392 1.581) 13.549 55.440 ( -1.826 7.826 -1.854) 8.247 57.041 ( 13.067 -5.008 9.408) 16.862 58.075 ( -5.099 -3.137 -1.764) 6.241 58.376 ( -3.775 -8.659 -6.029) 11.206 59.747 ( -0.816 10.026 -3.279) 10.580 60.857 ( -3.201 -5.041 1.057) 6.064 ======================= Grid point 35 (27/355) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.000 36.199 -0.000) 36.199 2.229 ( -0.000 50.372 -0.000) 50.372 3.421 ( -0.000 66.195 -0.000) 66.195 5.365 ( -0.000 32.346 -0.000) 32.346 6.213 ( -0.000 19.431 -0.000) 19.431 6.597 ( -0.000 10.906 -0.000) 10.906 9.306 ( 0.000 -4.812 0.000) 4.812 9.853 ( -0.000 13.958 -0.000) 13.958 10.360 ( -0.000 13.676 -0.000) 13.676 10.633 ( 0.000 -1.355 0.000) 1.355 11.107 ( 0.000 -14.528 0.000) 14.528 12.579 ( -0.000 10.957 -0.000) 10.957 13.219 ( 0.000 -9.716 0.000) 9.716 14.599 ( -0.000 4.431 -0.000) 4.431 16.267 ( -0.000 16.094 -0.000) 16.094 17.013 ( 0.000 -9.555 0.000) 9.555 17.616 ( -0.000 11.597 -0.000) 11.597 19.483 ( -0.000 5.260 -0.000) 5.260 20.815 ( 0.000 -2.433 0.000) 2.433 21.064 ( -0.000 1.892 -0.000) 1.892 21.532 ( 0.000 -13.156 0.000) 13.156 21.869 ( 0.000 -6.172 0.000) 6.172 30.203 ( -0.000 0.359 -0.000) 0.359 30.690 ( 0.000 -11.485 0.000) 11.485 30.926 ( -0.000 5.233 -0.000) 5.233 31.275 ( 0.000 -6.226 0.000) 6.226 32.053 ( -0.000 10.637 -0.000) 10.637 34.221 ( 0.000 -2.130 0.000) 2.130 35.633 ( 0.000 -3.007 0.000) 3.007 35.773 ( -0.000 5.938 -0.000) 5.938 36.106 ( -0.000 3.853 -0.000) 3.853 36.625 ( 0.000 -3.582 0.000) 3.582 51.056 ( 0.000 -3.187 0.000) 3.187 52.624 ( 0.000 -2.755 0.000) 2.755 54.411 ( -0.000 3.860 -0.000) 3.860 54.534 ( -0.000 12.601 -0.000) 12.601 55.336 ( -0.000 6.385 -0.000) 6.385 57.332 ( 0.000 -9.949 0.000) 9.949 58.004 ( 0.000 -1.160 0.000) 1.160 58.401 ( 0.000 -6.448 0.000) 6.448 59.576 ( -0.000 13.235 -0.000) 13.235 60.896 ( 0.000 -4.583 0.000) 4.583 ======================= Grid point 40 (28/355) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 15.840 -0.000 7.419) 17.491 4.760 ( 35.368 -0.000 21.667) 41.477 5.611 ( 3.885 -0.000 -1.917) 4.332 6.038 ( 2.179 -0.000 -2.053) 2.994 6.048 ( 26.344 -0.000 -3.632) 26.593 8.748 ( 21.577 -0.000 3.304) 21.828 9.651 ( 7.894 -0.000 2.437) 8.262 9.749 ( -1.304 0.000 2.609) 2.916 10.664 ( 19.848 -0.000 -4.468) 20.345 10.830 ( 6.394 -0.000 6.964) 9.454 11.083 ( -9.234 0.000 3.756) 9.968 12.354 ( -15.833 0.000 -8.975) 18.200 13.116 ( -3.158 0.000 -16.172) 16.478 14.596 ( 29.816 -0.000 24.154) 38.372 16.131 ( 21.240 -0.000 -7.588) 22.555 17.643 ( 19.155 -0.000 -1.287) 19.199 18.011 ( -22.241 0.000 -12.285) 25.409 18.166 ( -14.060 0.000 24.769) 28.481 20.215 ( -0.760 0.000 -5.695) 5.746 21.111 ( -12.411 0.000 -9.565) 15.669 21.997 ( 2.430 -0.000 0.913) 2.596 22.207 ( -16.224 0.000 8.805) 18.460 29.487 ( 2.541 -0.000 -12.885) 13.133 30.155 ( -3.417 0.000 6.680) 7.503 31.315 ( -5.133 0.000 -4.327) 6.713 31.506 ( 2.359 -0.000 2.326) 3.313 32.084 ( 4.430 -0.000 3.299) 5.523 33.235 ( 10.956 -0.000 0.945) 10.997 35.793 ( 3.580 -0.000 2.914) 4.616 36.041 ( 0.959 -0.000 6.539) 6.609 36.291 ( -3.630 0.000 -4.786) 6.007 36.808 ( -1.553 0.000 -6.029) 6.226 51.245 ( -6.756 0.000 9.985) 12.056 52.574 ( -0.276 0.000 -4.607) 4.616 54.691 ( 13.713 -0.000 -0.693) 13.731 54.753 ( 2.707 -0.000 -7.754) 8.213 55.800 ( 18.197 -0.000 16.192) 24.358 56.380 ( 1.789 -0.000 -5.784) 6.055 57.647 ( -10.017 0.000 -6.764) 12.087 58.478 ( -8.995 0.000 -1.348) 9.096 60.389 ( -4.245 0.000 8.045) 9.097 60.636 ( -1.103 0.000 -5.200) 5.315 ======================= Grid point 41 (29/355) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 9.491 1.930 6.689) 11.770 5.240 ( 31.333 21.922 15.355) 41.208 5.662 ( 11.869 7.711 -1.864) 14.276 5.996 ( -2.503 0.038 -7.802) 8.193 6.419 ( 10.709 -18.738 -7.212) 22.756 8.961 ( 11.167 3.172 -2.573) 11.891 9.666 ( 0.890 7.196 1.626) 7.431 9.849 ( 2.994 -6.171 3.833) 7.857 10.700 ( 9.951 19.783 1.542) 22.199 11.055 ( 6.915 0.288 6.528) 9.514 11.162 ( 3.660 -16.416 0.593) 16.830 12.096 ( -12.406 -6.900 -9.652) 17.166 12.973 ( -0.142 0.735 -16.060) 16.077 15.072 ( 16.498 1.660 13.514) 21.391 16.415 ( 18.290 -3.165 -9.493) 20.848 17.494 ( -6.906 21.906 1.617) 23.025 18.022 ( 10.600 -12.982 1.045) 16.792 18.230 ( -8.643 -9.939 20.195) 24.111 20.171 ( 1.708 2.401 -5.327) 6.088 20.868 ( -11.606 -1.120 -9.659) 15.141 21.988 ( -4.748 3.420 1.752) 6.108 22.037 ( -9.460 0.261 3.541) 10.105 29.450 ( 6.597 3.283 -10.208) 12.590 30.177 ( 0.301 -0.530 4.905) 4.943 31.215 ( -7.152 -2.923 -3.871) 8.641 31.547 ( -1.274 -1.645 3.848) 4.375 32.159 ( 3.659 1.140 3.640) 5.286 33.420 ( 11.665 -1.430 1.074) 11.801 35.862 ( 3.749 1.501 3.769) 5.525 36.066 ( -3.705 0.790 4.156) 5.624 36.224 ( -0.345 -0.130 -2.684) 2.709 36.738 ( -3.297 -0.500 -4.712) 5.772 51.200 ( -7.274 0.493 7.531) 10.483 52.540 ( 0.214 -0.513 -5.728) 5.755 54.668 ( 6.046 8.889 -5.342) 12.004 54.954 ( 10.787 -6.300 -1.824) 12.625 56.135 ( 11.556 0.330 11.102) 16.028 56.376 ( 2.208 -1.727 -4.988) 5.722 57.481 ( -4.499 1.272 -2.975) 5.541 58.351 ( -9.520 -3.322 -1.762) 10.236 60.297 ( -2.119 10.828 3.848) 11.685 60.665 ( -1.446 -9.144 -2.822) 9.678 ======================= Grid point 42 (30/355) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 3.185 6.834 5.685) 9.443 5.376 ( 23.732 35.520 3.863) 42.893 5.708 ( 3.486 4.821 -5.722) 8.254 5.908 ( 5.508 0.937 -8.233) 9.950 6.676 ( 3.471 -12.493 -2.963) 13.300 9.008 ( 6.121 4.085 -5.207) 9.015 9.566 ( -3.867 8.397 -0.580) 9.263 9.934 ( -1.515 -0.859 3.590) 3.991 10.592 ( 4.273 15.605 1.405) 16.240 11.152 ( 1.732 4.725 -4.366) 6.662 11.348 ( 3.577 -10.304 7.596) 13.292 12.119 ( 2.141 -14.963 -4.031) 15.644 12.882 ( 3.710 0.237 -15.347) 15.791 15.200 ( 1.581 4.787 -2.834) 5.784 16.495 ( -3.518 -5.843 -8.534) 10.925 17.287 ( 5.573 22.136 11.393) 25.512 18.303 ( 12.906 5.282 7.034) 15.619 18.527 ( 6.623 -25.106 17.653) 31.398 20.110 ( 0.779 5.648 -5.976) 8.259 20.706 ( -6.953 -6.770 -7.880) 12.501 21.822 ( -11.186 3.953 3.986) 12.516 21.962 ( -3.665 0.811 -2.645) 4.592 29.473 ( 10.875 3.686 -7.037) 13.467 30.241 ( 4.126 -0.229 2.843) 5.016 31.120 ( -9.182 -5.196 -2.989) 10.965 31.550 ( -5.446 -1.820 4.542) 7.321 32.218 ( 3.217 1.610 3.763) 5.206 33.616 ( 12.058 -0.796 1.147) 12.138 35.913 ( 2.607 3.354 4.807) 6.416 35.972 ( -6.649 1.584 -1.123) 6.927 36.251 ( 2.157 -1.167 1.552) 2.902 36.659 ( -4.713 -1.111 -3.938) 6.242 51.131 ( -6.908 0.308 4.497) 8.249 52.514 ( 0.264 -1.203 -5.699) 5.831 54.622 ( 5.574 6.849 -5.260) 10.279 55.139 ( 10.329 0.338 -0.499) 10.346 56.190 ( -1.987 5.710 -1.900) 6.337 56.438 ( 2.742 -4.037 -1.376) 5.071 57.518 ( 7.878 -1.920 6.216) 10.217 58.253 ( -9.294 -5.480 -2.223) 11.016 60.172 ( 0.004 10.213 2.012) 10.410 60.725 ( -2.875 -8.313 -2.163) 9.058 ======================= Grid point 43 (31/355) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( -2.656 13.515 4.008) 14.345 5.097 ( -4.483 28.152 -10.288) 30.306 5.622 ( 11.064 15.953 -7.745) 20.902 6.026 ( 15.679 4.569 -3.455) 16.692 6.784 ( 3.602 1.857 2.178) 4.601 8.993 ( 4.997 6.579 -5.083) 9.700 9.264 ( -17.867 13.028 -6.039) 22.922 9.921 ( -1.018 0.728 3.804) 4.005 10.502 ( 2.392 9.129 1.030) 9.493 11.020 ( -3.763 3.259 -7.158) 8.719 11.576 ( 4.819 -3.389 6.212) 8.561 12.330 ( 3.821 -11.451 2.442) 12.316 12.866 ( 7.509 -0.193 -13.243) 15.225 15.030 ( -6.000 5.920 -10.808) 13.706 16.476 ( -4.382 -9.736 -3.228) 11.154 17.172 ( 0.692 19.168 11.095) 22.158 18.395 ( 9.329 13.426 5.109) 17.129 19.156 ( 20.448 -21.388 18.672) 34.989 19.972 ( -2.805 6.627 -6.092) 9.428 20.733 ( 0.076 -12.672 -5.257) 13.720 21.640 ( -10.046 4.304 2.593) 11.232 21.862 ( -6.010 -0.418 -4.746) 7.669 29.589 ( 14.918 2.017 -4.193) 15.627 30.336 ( 6.764 0.414 1.145) 6.872 31.031 ( -10.533 -7.100 -1.894) 12.843 31.489 ( -9.331 -0.860 4.382) 10.345 32.267 ( 2.800 2.032 3.598) 4.992 33.802 ( 12.207 0.835 1.361) 12.311 35.825 ( -8.216 1.423 -0.506) 8.354 35.947 ( 3.023 4.397 3.361) 6.306 36.317 ( 2.102 -2.083 2.399) 3.809 36.567 ( -5.935 -0.927 -3.926) 7.176 51.059 ( -5.850 -0.418 1.815) 6.140 52.499 ( 0.083 -1.948 -4.748) 5.132 54.594 ( 5.429 5.581 -4.901) 9.200 55.227 ( 7.743 7.368 0.108) 10.689 56.003 ( -6.716 8.046 -4.570) 11.434 56.520 ( 3.176 -5.256 -1.603) 6.346 57.775 ( 12.219 -3.461 9.347) 15.769 58.178 ( -8.558 -6.653 -2.593) 11.146 60.086 ( 1.522 8.004 1.177) 8.232 60.744 ( -4.555 -6.568 -1.905) 8.217 ======================= Grid point 44 (32/355) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( -7.136 21.050 0.609) 22.235 4.531 ( -14.751 26.640 -13.202) 33.190 5.525 ( 17.022 27.029 -7.118) 32.725 6.117 ( 5.703 7.257 -0.764) 9.261 6.802 ( 12.063 14.115 1.530) 18.630 8.579 ( -22.020 31.131 -8.649) 39.100 9.039 ( -2.808 -6.432 -3.052) 7.653 9.972 ( 3.270 -1.512 4.506) 5.769 10.443 ( 1.105 6.615 0.494) 6.725 10.899 ( -1.614 2.767 -5.598) 6.450 11.574 ( -5.265 7.225 0.057) 8.941 12.538 ( 3.672 -9.798 6.103) 12.113 12.896 ( 6.466 1.209 -8.357) 10.635 14.822 ( -3.837 3.163 -9.466) 10.693 16.546 ( -1.611 -12.211 -3.790) 12.887 17.017 ( -1.476 17.447 10.261) 20.294 18.329 ( 5.883 19.118 1.032) 20.029 19.762 ( 9.021 -1.249 1.899) 9.303 19.882 ( 10.045 -9.471 11.400) 17.904 20.894 ( 2.307 -14.886 -4.177) 15.632 21.461 ( -8.965 4.758 1.353) 10.240 21.740 ( -7.791 -3.065 -6.185) 10.409 29.797 ( 17.648 -0.196 -2.068) 17.770 30.429 ( 5.332 0.622 0.029) 5.368 30.967 ( -8.840 -8.373 -1.167) 12.231 31.363 ( -11.806 0.429 3.765) 12.399 32.298 ( 2.201 2.823 3.077) 4.720 33.970 ( 11.686 2.146 1.693) 12.001 35.693 ( -7.835 -0.083 -0.514) 7.853 35.955 ( 3.027 5.456 3.422) 7.117 36.391 ( 1.103 -2.932 2.691) 4.130 36.451 ( -6.345 0.074 -4.623) 7.851 51.001 ( -4.274 -1.338 0.086) 4.480 52.498 ( -0.061 -2.656 -3.213) 4.169 54.576 ( 4.755 4.592 -4.469) 7.979 55.185 ( 3.736 13.762 0.937) 14.291 55.791 ( -4.796 7.735 -3.552) 9.770 56.651 ( 5.456 -7.333 0.025) 9.140 58.003 ( 4.411 -1.605 5.276) 7.062 58.144 ( -3.280 -7.421 -1.558) 8.262 60.032 ( 2.020 6.830 0.225) 7.126 60.731 ( -5.246 -5.570 -1.053) 7.724 ======================= Grid point 45 (33/355) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -7.531 28.046 -2.592) 29.155 3.897 ( -11.680 32.730 -8.513) 35.779 5.340 ( 15.678 40.884 -3.555) 43.931 5.983 ( -8.749 8.471 0.959) 12.216 6.857 ( 23.219 19.308 -3.744) 30.430 7.763 ( -27.531 34.299 -3.576) 44.127 9.086 ( -0.611 -6.993 -0.971) 7.086 10.107 ( 6.755 -2.445 5.445) 9.014 10.372 ( -1.363 4.605 -1.763) 5.116 10.833 ( 1.001 1.571 -4.050) 4.458 11.296 ( -10.557 16.025 -1.153) 19.225 12.749 ( 3.949 -8.346 5.418) 10.705 12.892 ( 1.681 1.700 -4.650) 5.229 14.717 ( -0.640 1.242 -4.892) 5.088 16.644 ( -2.191 -11.699 -1.705) 12.024 16.863 ( 0.647 16.519 4.679) 17.181 18.156 ( 3.732 19.884 -1.505) 20.287 19.687 ( -1.230 4.861 -1.939) 5.376 20.412 ( 17.271 -10.768 14.018) 24.714 21.050 ( -2.063 -15.148 -5.696) 16.315 21.289 ( -6.504 5.546 0.573) 8.567 21.652 ( -5.534 -6.655 -4.738) 9.867 30.060 ( 17.299 -1.171 -0.722) 17.353 30.453 ( -3.255 -2.012 -0.199) 3.832 30.978 ( -0.508 -7.026 -1.594) 7.223 31.201 ( -11.880 1.004 3.199) 12.344 32.301 ( 1.260 4.214 1.944) 4.809 34.113 ( 8.950 1.589 1.693) 9.246 35.599 ( -5.642 -1.341 -0.095) 5.800 35.955 ( 3.070 6.028 3.017) 7.407 36.303 ( -6.654 1.911 -3.822) 7.908 36.471 ( 1.091 -3.791 1.357) 4.171 50.972 ( -2.257 -2.160 -0.474) 3.160 52.516 ( -0.050 -3.177 -1.513) 3.519 54.553 ( 2.654 4.087 -3.379) 5.931 55.049 ( 1.763 16.405 2.092) 16.631 55.628 ( -2.354 7.728 -2.406) 8.429 56.853 ( 6.587 -10.005 1.994) 12.144 58.005 ( -5.401 -2.797 -0.914) 6.151 58.233 ( 2.630 -3.675 0.589) 4.557 59.968 ( 0.993 8.005 -0.725) 8.099 60.727 ( -3.508 -5.647 0.046) 6.648 ======================= Grid point 46 (34/355) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -0.000 32.676 -0.000) 32.676 3.334 ( -0.000 40.675 -0.000) 40.675 4.874 ( -0.000 54.563 -0.000) 54.563 5.799 ( -0.000 8.870 -0.000) 8.870 6.915 ( -0.000 15.347 -0.000) 15.347 6.992 ( -0.000 39.750 -0.000) 39.750 9.163 ( 0.000 -6.963 0.000) 6.963 10.203 ( -0.000 12.757 -0.000) 12.757 10.314 ( 0.000 -8.360 0.000) 8.360 10.847 ( 0.000 -5.015 0.000) 5.015 10.967 ( -0.000 19.721 -0.000) 19.721 12.799 ( -0.000 7.640 -0.000) 7.640 12.955 ( 0.000 -12.229 0.000) 12.229 14.683 ( -0.000 2.000 -0.000) 2.000 16.680 ( -0.000 17.687 -0.000) 17.687 16.756 ( 0.000 -11.429 0.000) 11.429 17.960 ( -0.000 17.145 -0.000) 17.145 19.612 ( -0.000 5.192 -0.000) 5.192 20.711 ( 0.000 -5.544 0.000) 5.544 21.168 ( -0.000 6.262 -0.000) 6.262 21.170 ( 0.000 -16.927 0.000) 16.927 21.691 ( 0.000 -8.382 0.000) 8.382 30.224 ( -0.000 1.460 -0.000) 1.460 30.453 ( 0.000 -8.291 0.000) 8.291 31.045 ( -0.000 4.403 -0.000) 4.403 31.102 ( 0.000 -7.987 0.000) 7.987 32.256 ( -0.000 6.225 -0.000) 6.225 34.189 ( 0.000 -0.404 0.000) 0.404 35.573 ( 0.000 -1.961 0.000) 1.961 35.923 ( -0.000 6.364 -0.000) 6.364 36.193 ( -0.000 3.314 -0.000) 3.314 36.532 ( 0.000 -4.090 0.000) 4.090 50.983 ( 0.000 -2.752 0.000) 2.752 52.550 ( 0.000 -3.331 0.000) 3.331 54.510 ( -0.000 4.221 -0.000) 4.221 54.879 ( -0.000 15.966 -0.000) 15.966 55.507 ( -0.000 7.737 -0.000) 7.737 57.065 ( 0.000 -12.216 0.000) 12.216 57.971 ( 0.000 -1.585 0.000) 1.585 58.288 ( 0.000 -3.160 0.000) 3.160 59.860 ( -0.000 10.283 -0.000) 10.283 60.770 ( 0.000 -5.749 0.000) 5.749 ======================= Grid point 53 (35/355) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 5.837 -0.000 5.865) 8.274 5.745 ( 17.981 -0.000 4.233) 18.473 5.816 ( -13.715 0.000 -11.259) 17.744 6.163 ( 29.669 -0.000 13.813) 32.727 6.296 ( 6.648 -0.000 -16.654) 17.932 9.039 ( 2.713 -0.000 -6.471) 7.016 9.712 ( -2.307 0.000 -0.050) 2.308 9.891 ( 4.189 -0.000 4.805) 6.374 10.845 ( -13.308 0.000 -6.874) 14.979 11.109 ( 9.073 -0.000 2.169) 9.329 11.340 ( 19.719 -0.000 8.577) 21.503 11.860 ( -4.119 0.000 -3.194) 5.212 12.887 ( 4.021 -0.000 -16.808) 17.283 15.249 ( 2.371 -0.000 -5.046) 5.576 16.425 ( -4.317 0.000 -7.652) 8.786 17.802 ( -10.954 0.000 8.628) 13.944 17.947 ( 27.292 -0.000 18.056) 32.724 18.399 ( 11.886 -0.000 12.284) 17.093 20.190 ( 2.982 -0.000 -4.129) 5.093 20.611 ( -11.924 0.000 -10.811) 16.095 21.878 ( -12.375 0.000 4.750) 13.255 21.970 ( -3.698 0.000 -3.213) 4.899 29.527 ( 10.602 -0.000 -9.214) 14.047 30.233 ( 3.635 -0.000 4.112) 5.488 31.057 ( -9.026 0.000 -2.776) 9.443 31.525 ( -4.911 0.000 4.997) 7.007 32.237 ( 2.916 -0.000 3.368) 4.455 33.603 ( 13.079 -0.000 1.348) 13.148 35.956 ( 3.855 -0.000 4.131) 5.650 35.994 ( -7.977 0.000 -0.008) 7.977 36.237 ( 1.900 -0.000 1.468) 2.401 36.644 ( -4.493 0.000 -4.494) 6.355 51.136 ( -7.746 0.000 5.347) 9.412 52.499 ( 0.436 -0.000 -6.481) 6.496 54.712 ( 2.300 -0.000 -7.844) 8.174 55.139 ( 15.570 -0.000 2.190) 15.723 56.295 ( 0.758 -0.000 3.540) 3.620 56.350 ( 1.749 -0.000 -6.357) 6.594 57.497 ( 5.991 -0.000 5.188) 7.925 58.184 ( -9.053 0.000 -1.092) 9.118 60.354 ( -3.981 0.000 3.629) 5.386 60.566 ( 0.411 -0.000 -4.346) 4.365 ======================= Grid point 54 (36/355) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( 1.920 5.300 4.358) 7.125 5.432 ( -20.624 4.442 -15.787) 26.349 5.999 ( 19.001 7.201 0.877) 20.339 6.192 ( 12.091 10.834 -9.304) 18.712 6.738 ( 21.575 -4.388 11.248) 24.723 8.989 ( -2.847 -1.229 -8.037) 8.615 9.612 ( -4.801 8.943 -2.584) 10.474 9.957 ( 0.898 2.261 3.522) 4.280 10.514 ( -17.563 -3.181 -11.774) 21.383 11.235 ( 7.351 5.337 0.443) 9.095 11.574 ( 12.292 8.640 10.428) 18.289 12.000 ( 5.543 -15.237 3.290) 16.544 12.873 ( 10.048 0.360 -15.761) 18.695 15.101 ( -8.736 0.918 -17.319) 19.419 16.323 ( -6.452 -3.102 1.079) 7.240 17.595 ( -9.018 13.224 10.977) 19.408 18.613 ( 18.004 3.083 9.104) 20.410 18.710 ( 28.230 -11.888 21.109) 37.200 20.147 ( -0.938 7.817 -5.620) 9.673 20.444 ( -6.508 -10.613 -8.593) 15.127 21.727 ( -9.911 2.316 3.182) 10.664 21.858 ( -7.592 -0.116 -5.287) 9.253 29.640 ( 14.090 1.579 -6.901) 15.768 30.337 ( 6.885 -0.265 2.369) 7.286 30.911 ( -11.016 -2.620 -1.531) 11.426 31.467 ( -8.573 -0.701 5.140) 10.020 32.295 ( 2.448 0.502 2.963) 3.876 33.809 ( 13.378 0.013 1.522) 13.464 35.855 ( -9.062 0.836 -1.467) 9.218 36.027 ( 3.341 1.917 4.273) 5.753 36.282 ( 1.624 -0.795 2.243) 2.882 36.547 ( -5.053 -0.570 -4.203) 6.598 51.055 ( -6.993 -0.029 2.904) 7.572 52.465 ( 0.307 -0.757 -5.924) 5.980 54.683 ( 2.737 1.897 -6.645) 7.432 55.363 ( 14.029 3.274 2.953) 14.706 56.183 ( -6.070 6.800 -4.064) 9.980 56.378 ( 0.490 -6.155 -4.823) 7.835 57.714 ( 12.824 -1.405 10.555) 16.669 58.070 ( -7.751 -2.299 -0.618) 8.108 60.269 ( -2.462 6.333 1.420) 6.942 60.584 ( -1.415 -5.892 -3.232) 6.868 ======================= Grid point 55 (37/355) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( -2.127 12.585 1.897) 12.904 4.941 ( -19.342 9.284 -14.511) 25.901 6.051 ( 13.680 16.021 -8.016) 22.540 6.280 ( 12.050 5.264 1.150) 13.200 7.089 ( 21.161 9.371 9.842) 25.149 8.870 ( -12.510 -3.653 -7.634) 15.104 9.260 ( -9.693 21.100 -8.102) 24.593 9.952 ( 0.954 0.986 2.619) 2.957 10.349 ( -9.347 -9.697 -6.027) 14.755 11.211 ( 6.990 15.243 1.582) 16.844 11.683 ( 4.278 4.446 4.435) 7.598 12.264 ( 2.367 -12.871 5.040) 14.024 12.941 ( 12.332 2.016 -10.578) 16.372 14.831 ( -9.721 -1.512 -16.199) 18.953 16.328 ( -2.566 -5.886 2.116) 6.760 17.394 ( -6.864 12.826 9.780) 17.530 18.733 ( 9.535 13.896 5.707) 17.793 19.475 ( 29.999 -13.125 19.980) 38.359 19.945 ( -5.336 6.691 -6.960) 11.031 20.529 ( 0.327 -15.100 -4.810) 15.851 21.577 ( -7.513 4.213 1.346) 8.718 21.688 ( -10.676 -1.426 -6.463) 12.561 29.810 ( 16.741 1.022 -4.371) 17.332 30.453 ( 6.786 1.075 0.660) 6.902 30.788 ( -10.748 -5.946 -0.442) 12.291 31.362 ( -11.027 -0.403 4.349) 11.860 32.338 ( 1.920 0.777 2.370) 3.148 34.004 ( 12.051 0.833 1.561) 12.180 35.703 ( -8.599 0.653 -1.521) 8.757 36.067 ( 2.856 3.631 4.055) 6.147 36.333 ( 1.203 -1.847 1.922) 2.924 36.449 ( -5.185 -0.223 -4.121) 6.627 50.980 ( -5.209 -0.455 1.025) 5.329 52.446 ( 0.069 -1.608 -4.302) 4.593 54.659 ( 2.770 2.303 -5.048) 6.201 55.484 ( 9.804 10.117 3.039) 14.412 55.968 ( -6.193 7.276 -4.270) 10.465 56.449 ( 1.404 -9.079 -3.731) 9.915 57.972 ( 3.922 -0.976 5.822) 7.087 58.013 ( 1.155 -3.587 2.717) 4.645 60.181 ( -0.569 5.512 0.504) 5.564 60.597 ( -3.179 -5.349 -2.395) 6.667 ======================= Grid point 56 (38/355) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -4.043 20.154 -0.881) 20.574 4.480 ( -11.506 16.310 -7.809) 21.434 5.997 ( 11.834 14.249 -7.256) 19.893 6.290 ( 1.772 16.448 4.318) 17.097 7.294 ( 22.016 17.099 4.634) 28.259 8.430 ( -26.133 16.521 -7.922) 31.916 9.004 ( 0.632 4.328 -2.966) 5.285 10.017 ( 3.236 -3.069 2.747) 5.238 10.308 ( -6.445 -7.167 -3.528) 10.264 11.126 ( 6.280 16.834 1.393) 18.021 11.615 ( -2.891 10.815 -0.053) 11.195 12.465 ( 1.043 -12.880 3.116) 13.293 12.993 ( 6.299 4.766 -3.965) 8.839 14.676 ( -4.194 -4.366 -8.887) 10.753 16.398 ( -0.654 -8.010 0.089) 8.037 17.227 ( -2.826 12.913 6.360) 14.669 18.647 ( 3.932 20.472 1.800) 20.924 19.784 ( -2.962 3.358 -3.724) 5.824 20.143 ( 23.425 -11.579 16.082) 30.683 20.677 ( -2.688 -15.075 -5.092) 16.137 21.433 ( -4.016 5.002 -0.843) 6.470 21.519 ( -9.923 -3.691 -4.695) 11.582 30.038 ( 17.671 -0.487 -2.370) 17.836 30.448 ( -6.852 1.225 0.542) 6.981 30.792 ( 0.723 -7.751 -0.684) 7.815 31.225 ( -10.272 0.597 2.926) 10.697 32.362 ( 1.116 1.274 1.450) 2.229 34.150 ( 7.910 1.428 1.166) 8.122 35.583 ( -5.750 -0.130 -0.848) 5.814 36.084 ( 2.732 4.633 3.290) 6.304 36.340 ( -4.784 1.116 -2.813) 5.661 36.389 ( 0.845 -2.872 0.401) 3.020 50.934 ( -2.733 -1.040 0.080) 2.925 52.447 ( -0.045 -2.414 -2.117) 3.211 54.635 ( 1.807 2.704 -3.017) 4.436 55.441 ( 3.719 15.864 2.241) 16.448 55.799 ( -2.518 6.433 -2.608) 7.385 56.587 ( 2.397 -11.948 -1.432) 12.270 57.945 ( -4.036 -2.111 -0.114) 4.556 58.181 ( 5.675 -0.998 4.023) 7.028 60.123 ( 0.474 5.039 0.045) 5.061 60.598 ( -2.898 -4.956 -1.091) 5.844 ======================= Grid point 57 (39/355) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -0.000 26.073 -0.000) 26.073 4.120 ( -0.000 24.791 -0.000) 24.791 5.964 ( -0.000 35.531 -0.000) 35.531 5.972 ( -0.000 6.983 -0.000) 6.983 7.317 ( -0.000 18.175 -0.000) 18.175 7.862 ( -0.000 29.755 -0.000) 29.755 9.009 ( 0.000 -4.227 0.000) 4.227 10.128 ( 0.000 -6.535 0.000) 6.535 10.296 ( 0.000 -3.688 0.000) 3.688 10.996 ( -0.000 15.028 -0.000) 15.028 11.404 ( -0.000 16.382 -0.000) 16.382 12.645 ( 0.000 -13.478 0.000) 13.478 12.957 ( -0.000 5.969 -0.000) 5.969 14.669 ( 0.000 -3.457 0.000) 3.457 16.497 ( 0.000 -9.621 0.000) 9.621 17.072 ( -0.000 14.500 -0.000) 14.500 18.423 ( -0.000 21.267 -0.000) 21.267 19.716 ( -0.000 3.253 -0.000) 3.253 20.580 ( 0.000 -4.972 0.000) 4.972 20.735 ( 0.000 -19.332 0.000) 19.332 21.335 ( -0.000 7.161 -0.000) 7.161 21.489 ( 0.000 -8.123 0.000) 8.123 30.269 ( -0.000 2.192 -0.000) 2.192 30.298 ( 0.000 -4.664 0.000) 4.664 30.908 ( 0.000 -7.928 0.000) 7.928 31.126 ( -0.000 2.275 -0.000) 2.275 32.355 ( -0.000 2.368 -0.000) 2.368 34.200 ( -0.000 1.131 -0.000) 1.131 35.541 ( 0.000 -0.759 0.000) 0.759 36.065 ( -0.000 5.375 -0.000) 5.375 36.261 ( -0.000 2.339 -0.000) 2.339 36.438 ( 0.000 -3.620 0.000) 3.620 50.930 ( 0.000 -1.636 0.000) 1.636 52.472 ( 0.000 -2.996 0.000) 2.996 54.602 ( -0.000 3.350 -0.000) 3.350 55.276 ( -0.000 16.933 -0.000) 16.933 55.691 ( -0.000 7.281 -0.000) 7.281 56.760 ( 0.000 -13.205 0.000) 13.205 57.932 ( 0.000 -1.604 0.000) 1.604 58.243 ( 0.000 -0.796 0.000) 0.796 60.060 ( -0.000 6.477 -0.000) 6.477 60.633 ( 0.000 -5.489 0.000) 5.489 ======================= Grid point 66 (40/355) ======================= q-point: ( 0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -0.350 0.000 2.065) 2.095 5.042 ( -19.243 0.000 -14.805) 24.280 6.253 ( 3.037 -0.000 -9.030) 9.527 6.338 ( 19.177 -0.000 2.201) 19.303 7.208 ( 25.801 -0.000 13.688) 29.207 8.823 ( -10.129 0.000 -9.798) 14.093 9.540 ( -9.550 0.000 -7.542) 12.169 10.039 ( 2.254 -0.000 3.210) 3.922 10.135 ( -13.077 0.000 -8.530) 15.614 11.387 ( 6.725 -0.000 1.277) 6.845 11.899 ( 6.231 -0.000 8.510) 10.547 11.954 ( 4.036 -0.000 3.972) 5.663 12.969 ( 15.188 -0.000 -12.039) 19.381 14.803 ( -12.639 0.000 -18.339) 22.273 16.260 ( -2.984 0.000 4.200) 5.152 17.560 ( -11.469 0.000 8.650) 14.365 18.930 ( 12.592 -0.000 9.450) 15.743 19.281 ( 34.004 -0.000 19.771) 39.334 20.115 ( -11.061 0.000 -11.422) 15.900 20.250 ( 4.421 -0.000 -1.791) 4.770 21.635 ( -7.101 0.000 2.135) 7.415 21.667 ( -11.885 0.000 -7.525) 14.067 29.827 ( 16.193 -0.000 -5.571) 17.124 30.467 ( 9.161 -0.000 1.163) 9.235 30.712 ( -13.183 0.000 -0.147) 13.184 31.355 ( -10.660 0.000 4.643) 11.627 32.346 ( 1.796 -0.000 2.081) 2.749 34.013 ( 12.430 -0.000 1.642) 12.538 35.713 ( -9.010 0.000 -1.862) 9.201 36.113 ( 2.782 -0.000 4.167) 5.010 36.309 ( 0.914 -0.000 1.878) 2.088 36.445 ( -4.487 0.000 -4.084) 6.067 50.976 ( -5.562 0.000 1.371) 5.728 52.426 ( 0.164 -0.000 -4.757) 4.760 54.686 ( 2.151 -0.000 -5.154) 5.585 55.614 ( 12.861 -0.000 4.126) 13.507 56.104 ( -7.505 0.000 -3.293) 8.196 56.286 ( -0.319 0.000 -6.646) 6.653 57.961 ( -5.368 0.000 0.313) 5.377 57.969 ( 12.090 -0.000 10.033) 15.711 60.264 ( -3.715 0.000 0.765) 3.793 60.516 ( -0.348 0.000 -3.232) 3.250 ======================= Grid point 68 (41/355) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( -2.432 7.460 -0.352) 7.855 4.714 ( -10.466 4.325 -7.892) 13.803 6.210 ( 2.159 4.686 -4.958) 7.156 6.566 ( 12.309 5.573 2.352) 13.715 7.603 ( 22.253 7.086 10.147) 25.463 8.542 ( -19.232 -0.476 -10.281) 21.812 9.271 ( -6.854 10.186 -6.657) 13.966 9.989 ( -0.181 0.853 0.406) 0.962 10.130 ( -1.771 -6.539 -0.512) 6.794 11.430 ( 3.502 6.608 0.700) 7.511 11.863 ( 2.472 11.303 2.941) 11.938 12.160 ( 0.798 -12.646 3.093) 13.043 13.093 ( 10.258 2.871 -5.487) 11.983 14.560 ( -7.753 -3.676 -10.661) 13.685 16.273 ( -0.888 -2.552 2.347) 3.579 17.446 ( -5.999 4.877 5.257) 9.349 19.073 ( 8.129 12.791 6.484) 16.484 19.828 ( 5.903 -2.312 4.716) 7.901 19.905 ( 7.682 -4.386 0.549) 8.863 20.387 ( 5.525 -7.557 -0.042) 9.362 21.430 ( -12.639 -1.450 -7.626) 14.832 21.553 ( -3.962 2.276 1.021) 4.682 30.036 ( 16.823 0.128 -3.650) 17.215 30.493 ( -11.197 2.164 0.950) 11.444 30.636 ( 4.809 -4.605 -0.014) 6.658 31.230 ( -9.430 -0.036 3.028) 9.904 32.377 ( 1.006 0.176 1.136) 1.527 34.175 ( 8.064 0.592 1.179) 8.172 35.585 ( -6.140 0.137 -1.285) 6.274 36.165 ( 2.212 1.904 3.481) 4.542 36.336 ( 0.335 -1.133 1.159) 1.655 36.359 ( -3.306 0.226 -3.604) 4.895 50.919 ( -3.019 -0.270 0.395) 3.057 52.407 ( 0.026 -0.900 -2.554) 2.708 54.679 ( 1.409 0.933 -2.808) 3.277 55.756 ( 7.976 8.198 3.792) 12.050 55.942 ( -4.656 6.252 -3.025) 8.361 56.304 ( -0.755 -10.558 -3.929) 11.290 57.909 ( -2.901 -0.786 0.365) 3.027 58.170 ( 6.933 -0.126 5.655) 8.948 60.209 ( -1.681 2.042 0.169) 2.651 60.505 ( -0.998 -2.349 -1.822) 3.136 ======================= Grid point 69 (42/355) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( -0.000 14.857 -0.000) 14.857 4.526 ( -0.000 10.005 -0.000) 10.005 6.142 ( -0.000 6.587 -0.000) 6.587 6.549 ( -0.000 14.319 -0.000) 14.319 7.738 ( -0.000 15.114 -0.000) 15.114 8.261 ( -0.000 3.797 -0.000) 3.797 9.081 ( -0.000 10.009 -0.000) 10.009 10.015 ( 0.000 -2.960 0.000) 2.960 10.174 ( 0.000 -5.200 0.000) 5.200 11.349 ( -0.000 11.859 -0.000) 11.859 11.746 ( -0.000 12.629 -0.000) 12.629 12.326 ( 0.000 -12.987 0.000) 12.987 13.096 ( -0.000 5.538 -0.000) 5.538 14.534 ( 0.000 -6.721 0.000) 6.721 16.320 ( 0.000 -4.997 0.000) 4.997 17.346 ( -0.000 8.077 -0.000) 8.077 18.940 ( -0.000 20.887 -0.000) 20.887 19.766 ( -0.000 1.096 -0.000) 1.096 20.267 ( 0.000 -19.050 0.000) 19.050 20.489 ( 0.000 -2.577 0.000) 2.577 21.326 ( 0.000 -5.093 0.000) 5.093 21.483 ( -0.000 4.738 -0.000) 4.738 30.226 ( 0.000 -1.584 0.000) 1.584 30.319 ( -0.000 1.747 -0.000) 1.747 30.744 ( 0.000 -5.330 0.000) 5.330 31.157 ( -0.000 0.539 -0.000) 0.539 32.385 ( -0.000 0.460 -0.000) 0.460 34.231 ( -0.000 1.157 -0.000) 1.157 35.532 ( 0.000 -0.077 0.000) 0.077 36.170 ( -0.000 3.258 -0.000) 3.258 36.303 ( -0.000 1.190 -0.000) 1.190 36.366 ( 0.000 -2.311 0.000) 2.311 50.903 ( 0.000 -0.643 0.000) 0.643 52.414 ( 0.000 -1.769 0.000) 1.769 54.664 ( -0.000 1.776 -0.000) 1.776 55.671 ( -0.000 15.823 -0.000) 15.823 55.836 ( -0.000 4.548 -0.000) 4.548 56.439 ( 0.000 -13.529 0.000) 13.529 57.899 ( 0.000 -1.032 0.000) 1.032 58.240 ( -0.000 0.228 -0.000) 0.228 60.171 ( -0.000 2.913 -0.000) 2.913 60.523 ( 0.000 -3.441 0.000) 3.441 ======================= Grid point 81 (43/355) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( 0.000 -0.000 0.000) 0.000 4.639 ( 0.000 -0.000 0.000) 0.000 6.232 ( 0.000 -0.000 0.000) 0.000 6.709 ( 0.000 -0.000 0.000) 0.000 7.935 ( 0.000 -0.000 0.000) 0.000 8.264 ( 0.000 -0.000 0.000) 0.000 9.251 ( 0.000 -0.000 0.000) 0.000 9.981 ( 0.000 -0.000 0.000) 0.000 10.098 ( 0.000 -0.000 0.000) 0.000 11.496 ( 0.000 -0.000 0.000) 0.000 12.010 ( 0.000 -0.000 0.000) 0.000 12.052 ( -0.000 0.000 -0.000) 0.000 13.177 ( 0.000 -0.000 0.000) 0.000 14.433 ( 0.000 -0.000 0.000) 0.000 16.261 ( 0.000 -0.000 0.000) 0.000 17.444 ( 0.000 -0.000 0.000) 0.000 19.271 ( 0.000 -0.000 0.000) 0.000 19.777 ( 0.000 -0.000 0.000) 0.000 19.961 ( 0.000 -0.000 0.000) 0.000 20.458 ( 0.000 -0.000 0.000) 0.000 21.263 ( 0.000 -0.000 0.000) 0.000 21.543 ( 0.000 -0.000 0.000) 0.000 30.210 ( 0.000 -0.000 0.000) 0.000 30.342 ( 0.000 -0.000 0.000) 0.000 30.677 ( 0.000 -0.000 0.000) 0.000 31.162 ( 0.000 -0.000 0.000) 0.000 32.389 ( 0.000 -0.000 0.000) 0.000 34.246 ( 0.000 -0.000 0.000) 0.000 35.532 ( 0.000 -0.000 0.000) 0.000 36.212 ( 0.000 -0.000 0.000) 0.000 36.317 ( 0.000 -0.000 0.000) 0.000 36.336 ( -0.000 0.000 -0.000) 0.000 50.896 ( 0.000 -0.000 0.000) 0.000 52.392 ( 0.000 -0.000 0.000) 0.000 54.685 ( 0.000 -0.000 0.000) 0.000 55.893 ( 0.000 -0.000 0.000) 0.000 55.954 ( 0.000 -0.000 0.000) 0.000 56.184 ( 0.000 -0.000 0.000) 0.000 57.886 ( 0.000 -0.000 0.000) 0.000 58.244 ( 0.000 -0.000 0.000) 0.000 60.205 ( 0.000 -0.000 0.000) 0.000 60.480 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 149 (44/355) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 11.474 -0.000 37.758) 39.463 1.068 ( 0.421 -0.000 51.433) 51.435 1.841 ( -7.408 0.000 90.116) 90.420 4.226 ( 26.895 -0.000 25.288) 36.916 5.883 ( 1.239 -0.000 -8.032) 8.127 6.273 ( -9.536 0.000 5.641) 11.079 9.549 ( -0.262 0.000 4.850) 4.857 9.725 ( -7.436 0.000 -5.161) 9.052 10.156 ( -42.467 0.000 6.136) 42.908 10.617 ( 5.132 -0.000 -11.192) 12.313 11.905 ( 5.874 -0.000 2.031) 6.216 12.136 ( -0.884 0.000 0.467) 1.000 13.084 ( 1.144 -0.000 -2.137) 2.424 14.458 ( -16.177 0.000 -9.517) 18.769 15.815 ( 11.290 -0.000 -1.116) 11.345 15.851 ( -2.228 0.000 2.082) 3.049 19.336 ( -6.261 0.000 -0.175) 6.263 19.840 ( -20.385 0.000 -1.641) 20.451 21.066 ( -7.783 0.000 -2.170) 8.080 21.457 ( 5.491 -0.000 4.624) 7.179 21.722 ( 167.278 -0.000 -5.505) 167.368 21.994 ( 2.837 -0.000 -0.099) 2.838 30.625 ( 16.266 -0.000 -6.543) 17.532 30.941 ( -13.981 0.000 7.794) 16.006 31.008 ( -71.720 0.000 -4.924) 71.889 31.396 ( 1.739 -0.000 -1.241) 2.136 31.597 ( -7.108 0.000 4.630) 8.483 32.630 ( 1.719 -0.000 -4.245) 4.580 35.618 ( -2.464 0.000 1.185) 2.734 35.760 ( 1.326 -0.000 0.665) 1.483 35.991 ( 3.158 -0.000 2.123) 3.805 36.602 ( -0.966 0.000 -2.095) 2.307 51.261 ( 0.961 -0.000 10.767) 10.810 54.105 ( -5.909 0.000 -9.983) 11.601 54.298 ( 3.017 -0.000 -0.665) 3.090 54.780 ( -2.107 0.000 3.614) 4.184 54.853 (-107.668 0.000 1.690) 107.681 55.775 ( 16.522 -0.000 -7.351) 18.083 58.304 ( -1.215 0.000 2.342) 2.638 58.837 ( 3.134 -0.000 0.955) 3.276 59.842 ( 99.631 -0.000 3.990) 99.711 60.982 ( -0.923 0.000 -2.939) 3.080 ======================= Grid point 150 (45/355) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 15.471 -11.758 36.868) 41.675 1.747 ( 21.569 -26.202 42.777) 54.604 2.675 ( 29.898 -12.030 72.862) 79.671 5.119 ( 47.183 -12.836 30.080) 57.409 5.871 ( 4.451 -5.639 -8.359) 11.022 6.180 ( -11.409 -3.128 4.613) 12.698 9.486 ( -12.567 2.258 1.480) 12.853 9.627 ( -2.251 -2.836 6.904) 7.796 9.959 ( 0.593 -4.161 7.441) 8.546 10.582 ( 0.305 0.501 -9.081) 9.100 11.883 ( 5.216 16.224 3.188) 17.337 12.236 ( 1.586 -12.764 2.863) 13.177 13.122 ( 1.716 -2.731 -3.883) 5.047 14.137 ( -17.264 -3.433 -15.162) 23.232 15.816 ( 3.785 -0.793 0.586) 3.911 16.168 ( 10.219 -17.582 -0.013) 20.336 19.186 ( -16.129 7.747 4.208) 18.381 19.370 ( -23.356 4.691 16.527) 28.994 20.875 ( -10.909 4.133 -5.017) 12.699 21.521 ( 10.270 10.248 6.316) 15.824 21.875 ( -4.756 3.498 -3.786) 7.013 22.744 ( 39.666 36.413 -14.975) 55.889 30.178 ( -28.204 4.098 8.558) 29.757 30.826 ( -13.607 -2.233 5.851) 14.979 30.853 ( 11.691 -4.844 -7.350) 14.634 31.447 ( 6.907 1.963 -0.789) 7.224 31.605 ( -3.498 -6.710 3.373) 8.285 32.843 ( -2.762 -29.195 -12.620) 31.925 35.618 ( 0.405 -1.030 0.239) 1.132 35.783 ( 2.591 1.767 1.621) 3.530 36.279 ( 24.285 0.112 -8.427) 25.706 36.565 ( -1.796 -0.145 -4.005) 4.392 51.347 ( -0.605 1.527 14.443) 14.536 53.295 ( -35.647 26.203 17.993) 47.760 54.201 ( -8.978 -2.827 3.117) 9.915 54.447 ( 6.686 -6.604 3.962) 10.199 54.903 ( -6.995 -16.452 -0.852) 17.898 56.133 ( 11.801 -15.098 -16.408) 25.228 58.270 ( -3.441 2.147 1.812) 4.442 58.857 ( -0.831 -1.059 1.715) 2.180 60.405 ( 21.629 24.935 -0.153) 33.009 60.934 ( -0.416 0.037 -5.049) 5.067 ======================= Grid point 151 (46/355) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 16.750 -11.604 30.170) 36.406 2.592 ( 15.858 -16.012 43.635) 49.111 3.899 ( 44.083 -25.230 49.325) 70.802 5.682 ( 11.555 0.994 -9.599) 15.055 6.058 ( -6.665 -5.721 -7.891) 11.807 6.518 ( 36.560 -24.148 36.476) 57.012 9.331 ( -6.254 1.664 -0.845) 6.527 9.659 ( -1.581 1.489 8.387) 8.663 10.169 ( 6.483 -11.608 -3.491) 13.747 10.555 ( 4.572 -2.680 -2.602) 5.904 11.770 ( -2.036 9.381 2.022) 9.810 12.453 ( 8.715 -5.189 3.277) 10.659 13.150 ( 3.907 0.597 -0.558) 3.992 13.846 ( -15.489 -7.552 -16.692) 23.991 15.931 ( 1.720 -10.903 -0.593) 11.053 16.530 ( 13.678 -13.447 -1.048) 19.210 18.799 ( -22.994 16.279 20.517) 34.852 19.265 ( -9.580 -7.450 3.962) 12.766 20.589 ( -11.780 8.413 -7.420) 16.267 21.592 ( 10.030 9.320 4.438) 14.393 21.710 ( -6.365 5.057 -5.210) 9.655 22.607 ( 8.120 26.236 -1.734) 27.518 29.871 ( -17.365 0.831 -0.893) 17.407 30.636 ( -13.302 2.268 2.809) 13.783 31.072 ( 13.909 -3.498 -3.289) 14.714 31.527 ( 8.065 2.242 -0.878) 8.417 31.678 ( -2.360 -8.150 3.164) 9.056 33.026 ( -1.590 -21.415 -10.753) 24.015 35.644 ( 0.721 -1.294 0.384) 1.530 35.820 ( 4.056 2.235 1.929) 5.017 36.490 ( 3.097 1.557 -8.243) 8.942 36.512 ( 9.876 0.109 -3.660) 10.533 51.397 ( -2.473 4.113 15.742) 16.458 52.860 ( -12.723 9.764 6.982) 17.492 54.151 ( -4.630 -2.375 1.276) 5.358 54.726 ( 13.727 -6.607 8.984) 17.686 54.990 ( -3.929 -14.184 -3.141) 15.050 56.285 ( 5.325 -9.020 -13.647) 17.204 58.173 ( -6.435 3.386 -0.054) 7.272 58.864 ( -1.665 -1.266 1.110) 2.367 60.285 ( 1.251 21.804 7.221) 23.003 60.918 ( 2.132 -0.907 -5.151) 5.648 ======================= Grid point 152 (47/355) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 14.686 -10.111 21.619) 28.023 3.200 ( 8.560 -7.708 40.499) 42.105 5.095 ( 35.697 -20.064 35.202) 54.000 5.719 ( 4.657 -2.498 -10.796) 12.020 6.029 ( 1.175 -10.965 -7.912) 13.573 7.519 ( 29.858 -18.561 25.653) 43.521 9.248 ( -0.535 0.542 -3.465) 3.547 9.677 ( -0.063 2.899 8.556) 9.034 10.229 ( 0.795 0.657 -6.554) 6.635 10.835 ( 13.772 -17.598 -1.449) 22.393 11.623 ( -8.233 4.254 0.573) 9.284 12.613 ( 8.606 1.699 -0.653) 8.796 13.225 ( 3.475 3.260 5.556) 7.319 13.696 ( -4.403 -14.344 -11.068) 18.645 16.105 ( 0.543 -15.745 -0.955) 15.784 16.841 ( 13.155 -7.285 -4.692) 15.752 18.446 ( -19.959 14.328 21.967) 32.958 19.281 ( -7.797 -12.196 3.139) 14.812 20.243 ( -9.757 12.430 -9.376) 18.375 21.501 ( -8.124 5.837 -5.426) 11.381 21.650 ( 9.309 8.154 1.655) 12.486 22.399 ( 0.256 17.008 -0.326) 17.013 29.610 ( -14.464 1.532 -2.811) 14.814 30.440 ( -10.207 3.790 1.320) 10.968 31.289 ( 11.813 -3.746 -1.413) 12.473 31.610 ( 6.116 0.445 -0.940) 6.204 31.762 ( -0.983 -5.710 3.805) 6.931 33.170 ( 0.629 -15.043 -8.325) 17.205 35.672 ( 0.685 -0.860 0.930) 1.440 35.875 ( 5.069 2.021 1.878) 5.771 36.400 ( -2.595 1.859 -5.727) 6.556 36.646 ( 8.981 -0.144 -3.180) 9.528 51.394 ( -3.704 5.941 13.831) 15.502 52.691 ( -4.781 3.474 0.491) 5.930 54.138 ( -2.248 -2.199 1.464) 3.469 55.023 ( 4.008 -2.331 5.179) 6.951 55.171 ( 10.759 -17.590 3.286) 20.879 56.344 ( 2.888 -5.597 -10.480) 12.227 57.994 ( -9.872 4.892 -2.935) 11.402 58.851 ( -2.194 -0.661 0.162) 2.297 60.080 ( -3.252 16.328 5.599) 17.565 60.941 ( 2.600 -1.763 -3.200) 4.484 ======================= Grid point 153 (48/355) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 9.346 -5.218 13.160) 16.964 3.606 ( 1.149 -3.872 37.380) 37.597 5.587 ( -2.672 -3.793 3.735) 5.956 5.822 ( 10.966 -1.911 -3.596) 11.698 6.421 ( 22.825 -22.211 3.606) 32.052 8.120 ( 11.317 -8.624 13.919) 19.904 9.279 ( 6.537 -3.190 -4.772) 8.699 9.715 ( 2.991 3.845 8.595) 9.880 10.176 ( 1.412 2.714 -5.196) 6.030 11.179 ( 5.504 -12.550 -5.752) 14.862 11.466 ( -5.693 0.095 0.369) 5.706 12.684 ( 5.345 0.024 -2.777) 6.024 13.143 ( -10.073 0.381 -2.585) 10.407 13.993 ( 18.652 -12.292 8.744) 23.988 16.294 ( -0.112 -16.329 -1.969) 16.448 16.975 ( 7.243 2.588 -9.859) 12.505 18.203 ( -15.633 8.158 22.930) 28.926 19.369 ( -6.856 -16.070 3.791) 17.878 19.905 ( -3.772 15.169 -9.591) 18.339 21.269 ( -8.732 5.622 -4.667) 11.386 21.696 ( 8.414 6.020 -1.233) 10.419 22.211 ( -2.518 11.098 -0.808) 11.408 29.386 ( -10.995 1.284 -2.053) 11.258 30.275 ( -6.731 3.439 0.030) 7.559 31.476 ( 8.637 -3.215 -0.685) 9.241 31.677 ( 2.680 -1.998 -0.978) 3.483 31.836 ( 0.830 -1.712 5.210) 5.547 33.286 ( 2.021 -9.838 -6.743) 12.097 35.695 ( 0.668 0.086 1.525) 1.667 35.943 ( 5.250 1.387 1.581) 5.656 36.303 ( -2.739 1.473 -4.505) 5.474 36.735 ( 5.016 -0.517 -1.737) 5.333 51.346 ( -3.912 6.313 10.034) 12.483 52.618 ( -1.893 0.533 -1.684) 2.589 54.152 ( -0.951 -1.797 1.737) 2.674 55.088 ( -0.602 -4.850 -1.451) 5.098 55.619 ( 15.849 -12.164 10.428) 22.536 56.371 ( 1.997 -3.789 -7.453) 8.596 57.736 ( -11.756 6.114 -5.137) 14.212 58.820 ( -2.336 -0.457 -1.126) 2.634 59.897 ( -3.140 11.263 3.597) 12.233 60.983 ( 2.093 -2.120 -1.692) 3.426 ======================= Grid point 154 (49/355) ======================= q-point: ( 0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 3.738 0.343 6.962) 7.910 3.853 ( -6.746 -1.188 36.514) 37.151 5.540 ( -4.417 -1.609 -5.873) 7.522 5.926 ( 5.082 -2.967 -8.239) 10.124 6.921 ( 11.470 -10.663 0.558) 15.671 8.314 ( 0.055 -1.255 7.912) 8.011 9.395 ( 5.746 -3.760 -4.504) 8.212 9.797 ( 6.556 3.962 5.657) 9.523 10.154 ( 2.814 0.364 -3.734) 4.690 11.112 ( -8.816 2.231 -3.658) 9.802 11.561 ( 6.509 -5.884 -2.006) 9.000 12.744 ( 1.344 -5.032 -2.808) 5.917 12.978 ( -10.023 -3.260 -4.222) 11.354 14.461 ( 16.664 -2.760 13.299) 21.498 16.447 ( -0.258 -12.589 -3.148) 12.979 16.887 ( 1.555 6.662 -11.062) 13.007 18.092 ( -11.683 4.757 20.295) 23.896 19.490 ( -4.496 -11.205 2.703) 12.373 19.685 ( 2.938 8.654 -5.023) 10.429 21.073 ( -6.178 2.959 -3.257) 7.584 21.738 ( 7.371 3.217 -4.123) 9.038 22.051 ( -3.534 6.887 -1.137) 7.824 29.245 ( -6.146 -0.496 -0.260) 6.171 30.166 ( -2.906 2.385 -1.000) 3.890 31.598 ( 3.727 -2.720 -0.755) 4.675 31.720 ( -0.216 -3.121 -0.799) 3.229 31.899 ( 2.635 2.346 6.785) 7.647 33.366 ( 2.716 -4.937 -5.853) 8.125 35.709 ( 0.609 1.159 1.857) 2.272 36.005 ( 3.405 0.976 0.350) 3.559 36.238 ( -1.170 -0.051 -1.629) 2.006 36.783 ( 2.046 -0.751 -1.409) 2.595 51.277 ( -3.271 5.400 6.105) 8.782 52.588 ( -0.838 -0.902 -2.178) 2.502 54.170 ( -0.775 -1.065 1.630) 2.096 55.112 ( -1.135 -3.862 -2.896) 4.959 55.984 ( 8.594 -5.212 5.713) 11.561 56.403 ( 2.550 -2.824 -2.972) 4.829 57.490 ( -6.911 3.763 -2.713) 8.323 58.781 ( -2.373 -1.100 -2.897) 3.904 59.777 ( -1.530 6.751 2.853) 7.487 61.021 ( 1.154 -1.596 -0.995) 2.207 ======================= Grid point 155 (50/355) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -1.177 5.420 3.267) 6.437 3.930 ( -16.423 2.993 36.126) 39.797 5.428 ( -3.354 0.421 -12.002) 12.469 5.921 ( -0.738 -2.673 -12.610) 12.911 6.985 ( -5.401 2.193 -7.272) 9.321 8.320 ( -4.273 2.456 5.765) 7.584 9.462 ( 2.691 -1.890 -2.011) 3.855 9.819 ( 0.937 6.130 0.013) 6.201 10.172 ( -0.880 -0.695 -1.263) 1.689 11.000 ( 2.932 1.947 -2.952) 4.594 11.659 ( 2.289 -0.754 -1.391) 2.783 12.792 ( -1.937 -5.739 -2.283) 6.473 12.896 ( -5.433 -7.458 -3.934) 10.031 14.606 ( 0.620 12.327 7.035) 14.207 16.535 ( -0.729 -2.385 1.588) 2.957 16.824 ( 5.361 -4.621 -11.093) 13.158 17.968 ( -11.931 8.253 13.430) 19.769 19.492 ( 8.465 11.738 -0.825) 14.495 19.759 ( -2.671 -15.095 4.698) 16.033 21.004 ( -0.059 -2.705 -1.937) 3.327 21.768 ( 4.936 1.135 -6.990) 8.632 21.937 ( -2.658 2.700 -1.235) 3.985 29.224 ( -0.480 -3.343 1.829) 3.841 30.121 ( 1.006 1.179 -1.736) 2.327 31.641 ( -1.745 -3.160 -0.745) 3.686 31.730 ( -2.049 -1.750 -0.543) 2.748 31.949 ( 3.411 5.429 8.010) 10.260 33.400 ( 3.239 -0.035 -5.379) 6.279 35.711 ( 0.491 2.018 1.865) 2.791 36.005 ( -1.018 0.945 -1.626) 2.139 36.267 ( 2.752 -1.975 2.220) 4.050 36.796 ( -0.409 -1.421 -1.545) 2.139 51.213 ( -2.234 3.841 3.059) 5.394 52.580 ( -0.392 -1.648 -2.149) 2.736 54.174 ( -1.124 -0.295 1.424) 1.838 55.102 ( -2.200 -2.341 -4.194) 5.283 56.008 ( -5.025 5.499 -3.029) 8.042 56.461 ( 2.633 -1.181 -0.140) 2.889 57.488 ( 5.687 -3.321 5.276) 8.438 58.739 ( -2.293 -2.292 -4.886) 5.864 59.729 ( 0.051 3.049 2.463) 3.920 61.038 ( 0.208 -0.527 -0.771) 0.957 ======================= Grid point 156 (51/355) ======================= q-point: (-0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -7.542 11.676 -0.120) 13.901 3.784 ( -27.306 8.671 33.136) 43.804 5.253 ( -6.083 2.761 -16.975) 18.242 5.791 ( -5.401 -0.672 -16.698) 17.563 6.679 ( -14.469 11.507 -7.986) 20.139 8.186 ( -11.562 7.703 2.838) 14.179 9.505 ( 1.542 -1.114 0.443) 1.953 9.691 ( -7.501 7.023 2.721) 10.629 10.118 ( -2.033 -0.356 -4.325) 4.793 11.101 ( 11.612 -1.440 -4.750) 12.628 11.604 ( -4.413 6.570 -1.111) 7.992 12.780 ( -4.880 -2.873 -1.380) 5.828 12.932 ( -1.717 -10.625 -4.516) 11.671 14.389 ( -3.714 20.061 4.771) 20.953 16.486 ( -2.872 7.247 3.900) 8.716 16.984 ( 7.465 -13.919 -10.009) 18.698 17.722 ( -12.960 13.049 5.455) 19.183 19.484 ( 8.243 12.516 3.505) 15.391 19.976 ( 2.172 -15.422 6.915) 17.040 21.100 ( 5.235 -7.979 -2.518) 9.869 21.751 ( -0.197 -0.693 -5.432) 5.479 21.896 ( 0.910 -0.945 -5.620) 5.771 29.334 ( 4.873 -6.254 3.699) 8.748 30.143 ( 4.721 0.043 -2.156) 5.190 31.616 ( -4.904 -1.018 0.055) 5.009 31.697 ( -4.912 -2.646 -0.618) 5.613 31.977 ( 3.009 7.811 8.977) 12.274 33.389 ( 4.253 4.892 -5.081) 8.236 35.703 ( 0.404 2.533 1.693) 3.073 35.951 ( -2.924 0.713 -1.605) 3.410 36.369 ( 3.986 -2.658 3.343) 5.842 36.790 ( -2.646 -3.362 -1.333) 4.481 51.166 ( -1.216 2.258 1.274) 2.863 52.586 ( -0.097 -2.200 -1.592) 2.717 54.167 ( -1.161 0.175 1.654) 2.029 55.033 ( -4.936 -0.497 -6.512) 8.186 55.755 ( -9.473 11.699 -3.066) 15.363 56.515 ( 3.611 -0.481 0.829) 3.736 57.724 ( 10.116 -5.356 7.779) 13.839 58.705 ( -1.694 -3.757 -6.672) 7.843 59.727 ( 0.446 0.496 0.806) 1.046 61.032 ( -0.296 0.417 -0.585) 0.777 ======================= Grid point 157 (52/355) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -15.011 18.969 -3.126) 24.391 3.383 ( -37.372 13.868 26.754) 48.008 4.827 ( -26.577 12.755 -19.418) 35.300 5.597 ( 0.541 3.989 -19.404) 19.817 6.285 ( -13.643 10.416 -3.441) 17.506 7.796 ( -24.192 16.220 1.628) 29.172 9.533 ( 0.598 5.313 6.457) 8.383 9.554 ( -8.250 -3.265 6.259) 10.858 10.112 ( 5.094 -2.566 -8.370) 10.129 11.152 ( -2.340 8.831 -8.289) 12.336 11.432 ( -1.499 2.137 -0.878) 2.754 12.685 ( -8.006 0.751 -3.051) 8.600 13.020 ( 1.760 -8.253 -2.719) 8.866 14.208 ( 4.381 16.485 7.873) 18.786 16.379 ( -0.910 10.908 6.610) 12.787 17.133 ( -2.057 -9.570 -9.844) 13.883 17.391 ( -8.207 11.819 -4.212) 14.993 19.475 ( 3.785 9.360 6.735) 12.137 20.279 ( 9.070 -11.785 8.235) 16.998 21.256 ( 4.897 -9.115 -7.586) 12.830 21.739 ( -1.786 -3.980 0.350) 4.376 21.877 ( 1.903 -2.491 -13.112) 13.482 29.556 ( 8.809 -8.427 4.968) 13.164 30.226 ( 7.836 -1.009 -2.062) 8.166 31.525 ( -7.036 1.714 1.291) 7.356 31.651 ( -7.293 -5.097 -0.514) 8.912 31.972 ( 1.733 9.953 9.776) 14.059 33.344 ( 6.647 10.001 -4.755) 12.916 35.687 ( 0.360 2.757 1.480) 3.149 35.886 ( -3.186 0.915 -1.254) 3.544 36.474 ( 3.219 -2.151 2.299) 4.503 36.792 ( -4.674 -7.306 -0.052) 8.673 51.141 ( -0.423 1.083 0.867) 1.450 52.611 ( 0.053 -3.005 0.448) 3.038 54.165 ( -0.516 0.260 2.445) 2.513 54.871 ( -8.620 1.969 -8.479) 12.250 55.475 ( -6.388 12.906 0.347) 14.405 56.597 ( 5.671 0.465 3.778) 6.830 57.964 ( 7.942 -3.888 5.928) 10.646 58.688 ( -0.798 -5.257 -8.505) 10.030 59.719 ( -1.039 -0.602 -3.712) 3.901 61.017 ( -0.149 0.764 -0.260) 0.821 ======================= Grid point 158 (53/355) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -20.287 25.240 -3.376) 32.558 2.754 ( -45.389 16.656 21.220) 52.800 3.913 ( -46.146 29.622 -10.466) 55.825 5.366 ( -1.823 13.621 -27.298) 30.562 6.017 ( -10.509 1.238 -0.001) 10.582 7.195 ( -28.002 20.422 7.838) 35.533 9.536 ( 0.846 3.088 8.579) 9.157 9.589 ( -6.294 -7.146 13.624) 16.622 10.202 ( 10.418 -3.032 -9.560) 14.461 10.749 ( -14.039 19.095 -7.064) 24.731 11.502 ( 1.411 -9.523 -3.753) 10.332 12.505 ( -5.884 7.685 -3.067) 10.153 13.134 ( 3.799 -5.132 -0.498) 6.404 14.215 ( 9.630 10.300 7.565) 16.001 16.314 ( 2.900 12.645 11.532) 17.358 16.852 ( -13.962 16.296 -5.333) 22.112 17.303 ( 0.982 -8.173 -18.761) 20.488 19.468 ( 0.542 5.900 8.009) 9.962 20.607 ( 11.030 -7.840 8.214) 15.830 21.310 ( -1.110 -7.983 -14.768) 16.824 21.794 ( 2.014 0.228 -4.121) 4.592 21.836 ( -0.335 -9.238 -11.227) 14.543 29.846 ( 10.795 -9.586 5.030) 15.288 30.365 ( 9.412 -2.663 -0.480) 9.793 31.408 ( -8.543 0.578 3.209) 9.144 31.593 ( -8.500 -4.964 -0.579) 9.860 31.925 ( -0.056 11.686 10.301) 15.578 33.287 ( 11.716 16.247 -4.418) 20.512 35.668 ( 0.206 2.795 1.249) 3.068 35.823 ( -2.408 1.279 -0.955) 2.889 36.535 ( 0.430 -2.260 -0.016) 2.300 36.832 ( -6.241 -11.924 0.652) 13.474 51.139 ( 0.190 0.548 1.761) 1.854 52.678 ( -0.151 -5.192 6.760) 8.525 54.183 ( 0.579 0.235 3.407) 3.464 54.643 ( -9.118 4.095 -6.842) 12.113 55.266 ( -2.939 12.330 1.435) 12.756 56.730 ( 9.143 2.521 9.443) 13.384 58.125 ( 4.460 -2.466 3.719) 6.309 58.681 ( -0.801 -6.765 -11.926) 13.735 59.632 ( -4.714 0.190 -12.205) 13.085 61.009 ( 0.303 0.624 -0.128) 0.705 ======================= Grid point 159 (54/355) ======================= q-point: (-0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -23.031 29.081 1.687) 37.134 2.003 ( -47.404 18.202 21.711) 55.225 2.744 ( -53.673 39.498 12.864) 67.871 4.774 ( -19.710 23.646 -23.937) 38.995 5.941 ( -2.403 -2.109 -1.696) 3.619 6.704 ( -17.972 15.797 11.483) 26.541 9.558 ( 0.248 1.811 3.829) 4.243 9.780 ( -6.115 -15.057 30.574) 34.625 10.202 ( -7.821 12.196 -2.951) 14.786 10.450 ( 9.907 -0.723 -10.917) 14.760 11.604 ( -2.719 -13.801 -4.496) 14.767 12.307 ( -2.257 13.339 0.390) 13.534 13.230 ( 6.018 0.750 -1.335) 6.209 14.322 ( 10.719 4.913 6.164) 13.306 16.248 ( -12.639 5.340 -0.060) 13.721 16.480 ( 14.927 33.348 0.733) 36.544 17.242 ( -3.587 -4.990 -8.877) 10.796 19.455 ( -2.145 3.444 6.991) 8.083 20.875 ( 7.044 -5.984 4.090) 10.107 21.222 ( -6.814 -7.101 -18.981) 21.381 21.683 ( 2.224 3.021 -22.582) 22.892 21.939 ( -0.827 -7.581 3.451) 8.371 30.150 ( 11.617 -8.974 2.046) 14.821 30.564 ( 6.390 -8.846 5.287) 12.126 31.325 ( -8.006 -2.587 5.484) 10.043 31.512 ( -8.401 -3.392 -1.116) 9.128 31.839 ( -2.081 11.855 10.483) 15.961 33.241 ( 21.351 26.622 -5.724) 34.603 35.645 ( -0.094 2.521 1.091) 2.749 35.777 ( -0.818 1.489 -0.435) 1.754 36.548 ( -4.016 -5.756 -2.017) 7.302 36.869 ( -10.017 -14.681 -6.185) 18.818 51.157 ( 0.752 0.725 3.506) 3.659 52.881 ( 0.427 -14.612 25.327) 29.243 54.221 ( 1.585 0.756 4.111) 4.471 54.443 ( -5.745 4.719 -2.549) 7.859 55.109 ( 0.813 12.570 1.291) 12.663 56.968 ( 17.790 5.641 21.096) 28.167 58.207 ( -0.046 -2.679 0.582) 2.742 58.629 ( -4.297 -8.550 -24.101) 25.931 59.368 ( -11.009 6.760 -21.177) 24.806 61.007 ( 0.443 0.400 -0.638) 0.873 ======================= Grid point 160 (55/355) ======================= q-point: (-0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -14.191 27.847 24.697) 39.834 1.245 ( -35.603 32.661 23.488) 53.722 1.817 ( -49.529 19.503 63.416) 82.795 4.143 ( -9.110 20.219 -0.889) 22.195 5.917 ( -0.246 -0.088 -4.403) 4.410 6.424 ( -10.588 8.794 7.488) 15.669 9.552 ( -1.348 2.298 4.055) 4.851 9.869 ( -6.026 7.819 -0.906) 9.913 10.279 ( -13.957 -41.850 20.428) 48.616 10.625 ( 12.574 -4.495 -9.954) 16.655 11.710 ( -1.897 -16.270 -0.315) 16.383 12.154 ( 3.149 15.478 7.777) 17.606 13.223 ( 4.999 11.649 -10.068) 16.188 14.511 ( 7.761 -3.886 8.655) 12.258 15.865 ( -15.332 3.955 -16.089) 22.573 16.208 ( 8.111 41.935 -20.373) 47.322 17.849 ( 76.191 -9.897 99.435) 125.660 19.413 ( -4.545 1.736 3.879) 6.222 20.851 ( -15.925 -6.149 -26.131) 31.213 21.115 ( -0.451 -0.231 1.411) 1.499 21.517 ( 5.788 12.297 -10.621) 17.249 22.006 ( -2.448 -3.927 1.983) 5.034 30.411 ( 13.645 -5.043 -4.127) 15.121 30.832 ( -8.328 -25.378 11.772) 29.189 31.335 ( -3.086 -7.834 3.722) 9.206 31.427 ( -6.271 -3.078 -1.394) 7.124 31.741 ( -5.611 6.231 9.538) 12.699 33.121 ( 28.615 50.273 -19.854) 61.159 35.627 ( 0.031 1.578 1.657) 2.288 35.757 ( 0.605 1.610 0.031) 1.720 36.464 ( -29.343 -17.351 -18.993) 39.023 36.699 ( -11.546 0.877 -14.618) 18.649 51.192 ( 1.044 1.004 6.230) 6.397 53.610 ( 8.385 -60.425 44.653) 75.600 54.266 ( 1.588 0.246 4.300) 4.590 54.367 ( 2.632 2.597 11.084) 11.684 55.039 ( 13.390 15.933 3.773) 21.151 57.399 ( -3.788 6.936 -20.887) 22.332 58.008 ( -4.110 -0.131 -7.770) 8.791 58.391 ( 7.972 10.013 -6.593) 14.397 59.000 ( -3.276 13.430 5.780) 14.984 61.000 ( 0.071 0.039 -1.574) 1.576 ======================= Grid point 162 (56/355) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 21.337 -0.000 43.091) 48.085 2.183 ( 41.669 -0.000 32.534) 52.865 3.554 ( 36.461 -0.000 59.486) 69.771 5.802 ( 4.086 -0.000 -12.135) 12.804 5.889 ( 19.436 -0.000 -14.546) 24.277 6.214 ( 26.166 -0.000 48.463) 55.076 9.381 ( -4.707 0.000 -0.175) 4.710 9.657 ( 2.721 -0.000 3.283) 4.264 9.993 ( 2.648 -0.000 5.693) 6.279 10.544 ( 1.147 -0.000 -4.682) 4.821 11.901 ( -11.692 0.000 -2.409) 11.938 12.372 ( 17.893 -0.000 7.881) 19.552 13.150 ( 5.252 -0.000 -0.387) 5.266 13.766 ( -14.810 0.000 -17.207) 22.703 15.772 ( -3.224 0.000 -0.563) 3.273 16.361 ( 21.195 -0.000 2.666) 21.362 19.054 ( -9.862 0.000 -6.698) 11.921 19.118 ( -27.395 0.000 24.820) 36.966 20.692 ( -11.907 0.000 -6.356) 13.497 21.709 ( 5.446 -0.000 5.932) 8.053 21.771 ( -7.088 0.000 -6.033) 9.308 23.066 ( -1.906 0.000 -12.749) 12.891 29.882 ( -17.103 0.000 -1.104) 17.139 30.634 ( -13.162 0.000 6.748) 14.791 31.014 ( 13.533 -0.000 -1.848) 13.659 31.506 ( -0.494 0.000 -0.773) 0.917 31.633 ( 8.121 -0.000 2.842) 8.604 32.698 ( 6.828 -0.000 -3.840) 7.833 35.629 ( 1.478 -0.000 0.145) 1.485 35.849 ( 2.958 -0.000 3.124) 4.302 36.507 ( -2.209 0.000 -4.398) 4.922 36.518 ( 17.728 -0.000 -12.522) 21.704 51.448 ( -2.319 0.000 17.029) 17.186 53.027 ( -27.431 0.000 12.202) 30.022 54.171 ( 2.628 -0.000 -2.760) 3.811 54.515 ( 8.998 -0.000 1.033) 9.057 54.841 ( 4.104 -0.000 6.421) 7.620 56.162 ( 11.155 -0.000 -11.662) 16.138 58.218 ( -6.301 0.000 0.164) 6.303 58.830 ( -2.889 0.000 1.641) 3.322 60.669 ( -0.204 0.000 1.176) 1.194 60.849 ( -3.445 0.000 -6.230) 7.119 ======================= Grid point 163 (57/355) ======================= q-point: ( 0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 27.325 11.434 34.386) 45.385 3.049 ( 28.050 -5.084 35.955) 45.884 4.564 ( 38.883 -17.876 38.718) 57.711 5.740 ( 2.679 3.457 -11.281) 12.099 5.850 ( -1.903 -5.297 -10.505) 11.918 7.199 ( 44.178 -7.328 33.017) 55.637 9.325 ( 1.786 4.164 -3.290) 5.600 9.716 ( 1.530 0.013 4.227) 4.496 10.127 ( 5.818 -6.405 -0.742) 8.685 10.582 ( 5.518 -3.384 0.240) 6.477 11.683 ( -13.519 1.009 -2.775) 13.838 12.645 ( 10.239 0.728 3.422) 10.820 13.294 ( 12.816 1.780 6.305) 14.393 13.479 ( -9.103 -4.003 -14.358) 17.465 15.782 ( -0.776 -8.647 -2.586) 9.059 16.711 ( 21.083 -3.007 0.498) 21.302 18.746 ( -18.403 10.439 6.561) 22.151 19.018 ( -16.097 -9.741 11.321) 21.958 20.447 ( -10.741 4.440 -7.640) 13.909 21.593 ( -8.963 1.968 -7.566) 11.893 21.802 ( 5.210 3.465 4.785) 7.877 22.815 ( -8.345 13.039 -4.468) 16.113 29.645 ( -11.761 1.035 -5.838) 13.171 30.495 ( -11.563 0.603 5.135) 12.666 31.206 ( 11.409 -2.438 -0.349) 11.671 31.500 ( -2.472 -4.119 -0.833) 4.876 31.773 ( 9.004 2.051 3.298) 9.806 32.847 ( 7.491 -9.144 -4.287) 12.574 35.659 ( 2.063 -0.229 0.567) 2.152 35.916 ( 3.664 1.065 3.994) 5.524 36.434 ( -2.596 0.835 -5.320) 5.978 36.645 ( 10.557 0.010 -8.760) 13.718 51.503 ( -4.806 2.601 17.492) 18.325 52.772 ( -12.525 2.483 2.930) 13.101 54.178 ( 5.017 4.787 -1.735) 7.148 54.715 ( 4.130 -14.609 -3.651) 15.614 55.032 ( 13.205 -0.240 12.720) 18.336 56.235 ( 6.749 -2.790 -10.513) 12.800 58.085 ( -9.132 2.277 -2.282) 9.684 58.798 ( -4.470 -2.117 0.516) 4.973 60.507 ( -5.068 16.586 3.140) 17.625 60.834 ( -2.203 -7.722 -4.146) 9.037 ======================= Grid point 164 (58/355) ======================= q-point: ( 0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 26.494 13.012 27.014) 40.013 3.593 ( 14.325 5.339 34.449) 37.689 5.423 ( 11.454 -11.211 6.233) 17.197 5.815 ( 19.325 -8.066 9.233) 22.886 5.864 ( 5.763 -11.445 -13.302) 18.470 7.986 ( 29.021 -3.070 17.957) 34.265 9.303 ( 7.013 4.573 -4.680) 9.591 9.773 ( 1.888 0.458 6.781) 7.054 10.216 ( 3.380 0.143 -4.453) 5.592 10.826 ( 11.503 -13.464 -0.127) 17.709 11.465 ( -12.881 -0.537 -1.340) 12.962 12.678 ( -2.528 -0.376 -4.025) 4.768 13.174 ( -9.371 2.050 -11.299) 14.822 13.809 ( 29.162 -3.789 17.707) 34.327 15.908 ( 2.568 -13.974 -5.138) 15.108 17.012 ( 17.580 0.598 -3.161) 17.872 18.405 ( -19.454 8.276 10.012) 23.392 19.013 ( -13.253 -13.028 10.025) 21.116 20.185 ( -6.491 8.089 -8.553) 13.443 21.367 ( -10.362 2.640 -8.097) 13.413 21.848 ( 4.855 5.374 2.622) 7.703 22.514 ( -8.120 12.619 -2.019) 15.141 29.433 ( -8.600 2.212 -5.927) 10.676 30.355 ( -8.494 2.610 3.034) 9.389 31.388 ( 8.146 -3.427 0.210) 8.840 31.521 ( -3.100 -7.145 -0.587) 7.811 31.891 ( 7.666 3.163 4.668) 9.516 33.040 ( 7.418 -9.451 -4.551) 12.848 35.700 ( 2.451 0.208 1.392) 2.827 35.985 ( 4.134 1.726 4.048) 6.037 36.340 ( -2.923 1.500 -5.565) 6.463 36.718 ( 5.617 -0.776 -5.129) 7.646 51.487 ( -6.472 4.922 15.151) 17.195 52.629 ( -5.417 0.409 -2.276) 5.890 54.191 ( 5.719 5.138 -0.032) 7.688 54.877 ( 0.649 -12.723 -6.045) 14.101 55.409 ( 18.981 -4.507 16.128) 25.312 56.281 ( 4.182 -3.264 -9.048) 10.488 57.867 ( -11.459 4.481 -4.831) 13.218 58.755 ( -5.848 -3.641 -1.129) 6.981 60.253 ( -4.173 16.761 2.605) 17.468 60.876 ( -1.339 -7.175 -2.254) 7.639 ======================= Grid point 165 (59/355) ======================= q-point: ( 0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 25.323 20.634 17.681) 37.144 3.868 ( 1.591 5.592 33.711) 34.209 5.471 ( -1.288 -3.496 -8.194) 9.001 5.892 ( 5.112 -0.605 -8.295) 9.762 6.514 ( 19.931 -22.485 4.219) 30.342 8.373 ( 14.720 4.704 8.022) 17.411 9.363 ( 9.833 1.650 -4.719) 11.031 9.865 ( 4.535 0.602 8.357) 9.527 10.196 ( 2.427 3.706 -4.666) 6.434 11.076 ( 1.356 -6.321 -3.167) 7.199 11.380 ( -0.080 -7.178 1.035) 7.253 12.582 ( -9.617 -6.378 -6.933) 13.463 12.964 ( -6.024 1.214 -9.164) 11.034 14.431 ( 29.771 0.010 21.721) 36.852 16.102 ( 6.373 -14.659 -7.825) 17.797 17.102 ( 6.622 9.776 -6.958) 13.705 18.177 ( -13.526 2.162 14.781) 20.152 19.084 ( -10.698 -16.857 9.912) 22.290 19.965 ( -0.397 9.953 -8.508) 13.100 21.132 ( -10.039 1.726 -7.436) 12.612 21.855 ( 4.207 5.749 -0.088) 7.124 22.256 ( -7.359 9.543 -1.445) 12.137 29.271 ( -4.686 2.240 -4.289) 6.736 30.237 ( -4.580 3.200 1.252) 5.726 31.487 ( -1.757 -6.076 -2.085) 6.660 31.596 ( 2.086 -5.327 2.335) 6.179 31.988 ( 6.259 3.659 5.928) 9.365 33.216 ( 7.376 -6.972 -4.653) 11.165 35.742 ( 2.542 1.289 2.361) 3.701 36.046 ( 3.445 2.218 2.997) 5.076 36.247 ( -2.500 0.808 -4.230) 4.980 36.758 ( 2.010 -1.325 -3.186) 3.993 51.416 ( -6.704 5.750 11.102) 14.186 52.559 ( -2.365 -1.447 -4.048) 4.906 54.217 ( 5.404 5.014 0.772) 7.412 54.970 ( 0.857 -8.378 -5.790) 10.221 55.847 ( 16.123 -5.104 13.179) 21.440 56.322 ( 3.532 -3.689 -5.858) 7.772 57.603 ( -10.413 5.092 -4.989) 12.619 58.698 ( -6.702 -4.748 -3.061) 8.766 60.040 ( -1.803 14.074 2.510) 14.410 60.928 ( -1.034 -6.329 -1.459) 6.577 ======================= Grid point 166 (60/355) ======================= q-point: ( 0.42 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 23.301 28.894 9.147) 38.230 3.999 ( -9.436 3.846 36.173) 37.581 5.424 ( 0.586 -0.692 -11.690) 11.725 5.877 ( 0.947 -0.716 -12.235) 12.293 6.883 ( 3.450 -11.002 -4.958) 12.551 8.485 ( 8.022 9.791 4.933) 13.584 9.440 ( 6.188 0.487 -4.948) 7.938 9.974 ( 3.718 4.610 8.898) 10.689 10.156 ( 1.639 1.500 -5.275) 5.723 11.046 ( -1.349 1.541 -0.407) 2.088 11.551 ( 4.926 -7.997 -0.990) 9.444 12.498 ( -9.072 -13.109 -7.865) 17.777 12.849 ( -2.390 -0.677 -6.356) 6.824 14.852 ( 13.970 7.755 13.243) 20.752 16.340 ( 11.867 -11.285 -5.887) 17.402 16.934 ( -2.728 11.547 -4.394) 12.653 18.122 ( -6.385 3.681 14.318) 16.103 19.249 ( -6.025 -20.008 10.292) 23.293 19.823 ( 4.103 9.603 -7.067) 12.610 20.958 ( -6.381 -1.575 -5.708) 8.705 21.835 ( 2.834 4.496 -3.177) 6.192 22.052 ( -6.325 6.289 -1.105) 8.987 29.196 ( 0.303 0.756 -2.012) 2.171 30.169 ( -0.451 2.637 -0.161) 2.681 31.493 ( -5.922 -7.559 -2.051) 9.819 31.689 ( 0.887 -2.391 2.752) 3.752 32.069 ( 4.998 4.129 6.832) 9.418 33.355 ( 7.548 -3.449 -4.818) 9.596 35.772 ( 2.276 2.750 3.038) 4.687 36.043 ( -1.265 2.497 -0.883) 2.935 36.227 ( 1.660 -1.279 0.622) 2.186 36.763 ( -0.877 -1.523 -2.658) 3.187 51.320 ( -5.923 4.976 7.189) 10.561 52.530 ( -1.093 -2.504 -4.340) 5.129 54.235 ( 4.536 5.173 0.853) 6.933 55.023 ( 1.029 -4.527 -5.521) 7.213 56.078 ( 3.506 0.999 1.034) 3.790 56.410 ( 4.306 -3.255 0.457) 5.417 57.454 ( -0.487 0.570 1.383) 1.573 58.632 ( -6.988 -5.760 -5.031) 10.359 59.903 ( 0.546 10.634 2.887) 11.032 60.970 ( -1.441 -5.143 -1.230) 5.481 ======================= Grid point 167 (61/355) ======================= q-point: (-0.50 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 18.454 34.066 4.682) 39.025 3.977 ( -19.537 7.528 36.002) 41.648 5.329 ( 0.847 3.775 -15.283) 15.765 5.765 ( -2.862 -0.926 -16.934) 17.199 6.848 ( -7.499 1.706 -7.902) 11.027 8.458 ( 2.991 13.945 3.598) 14.709 9.461 ( 0.881 -1.270 -5.171) 5.397 9.945 ( -2.154 12.049 9.791) 15.674 10.110 ( -2.199 0.094 -5.200) 5.647 11.063 ( 5.555 -1.166 -4.018) 6.954 11.650 ( 0.205 -2.586 -0.224) 2.604 12.534 ( -3.263 -14.122 -5.296) 15.432 12.808 ( -0.740 -2.753 -4.545) 5.365 14.834 ( -0.864 15.499 1.644) 15.610 16.612 ( 11.955 -3.423 3.173) 12.833 16.765 ( -2.600 3.671 -4.017) 6.031 18.030 ( -5.799 11.559 8.959) 15.732 19.533 ( 1.419 -20.614 11.001) 23.408 19.742 ( 4.311 8.603 -3.891) 10.379 20.926 ( 0.056 -6.701 -3.948) 7.778 21.774 ( -1.545 2.839 -5.265) 6.178 21.918 ( -3.035 2.596 -1.969) 4.453 29.240 ( 5.751 -1.750 0.284) 6.018 30.161 ( 3.411 1.526 -1.221) 3.931 31.473 ( -7.701 -7.830 -1.404) 11.072 31.705 ( -2.821 0.275 2.317) 3.661 32.130 ( 3.783 4.885 7.552) 9.758 33.453 ( 8.283 0.589 -5.016) 9.701 35.784 ( 1.868 3.985 3.201) 5.442 35.969 ( -3.861 1.136 -1.581) 4.324 36.306 ( 3.539 -2.420 2.727) 5.081 36.732 ( -3.466 -1.842 -2.907) 4.884 51.232 ( -4.820 3.259 4.501) 7.356 52.523 ( -0.429 -3.071 -4.127) 5.163 54.239 ( 4.019 5.409 0.921) 6.802 55.023 ( -0.173 -0.527 -5.838) 5.865 55.982 ( -6.167 7.359 -3.524) 10.227 56.488 ( 3.338 -1.699 -0.476) 3.776 57.603 ( 9.777 -4.540 8.302) 13.606 58.565 ( -6.683 -6.937 -6.784) 11.782 59.836 ( 1.952 7.678 2.945) 8.452 60.989 ( -2.268 -3.941 -1.142) 4.688 ======================= Grid point 168 (62/355) ======================= q-point: (-0.42 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 10.482 39.450 2.228) 40.880 3.725 ( -28.894 14.356 30.127) 44.143 5.084 ( -10.465 9.906 -16.726) 22.078 5.645 ( 4.557 0.731 -16.591) 17.221 6.573 ( -11.224 11.387 -6.028) 17.087 8.245 ( -8.009 20.788 1.716) 22.343 9.427 ( -6.330 -4.949 -2.239) 8.341 9.815 ( -1.716 14.721 12.843) 19.611 10.064 ( 2.744 -0.756 -7.935) 8.430 11.128 ( 2.274 -5.700 -9.066) 10.948 11.591 ( -5.968 5.860 -1.172) 8.446 12.614 ( -1.185 -6.630 -0.437) 6.749 12.844 ( 2.157 -6.154 -3.068) 7.207 14.614 ( -0.422 15.773 -0.558) 15.788 16.633 ( 1.010 10.725 4.055) 11.510 16.850 ( 3.451 -10.149 -1.857) 10.879 17.800 ( -5.766 18.564 2.065) 19.548 19.668 ( 0.530 5.733 -0.874) 5.824 19.931 ( 10.113 -16.353 12.019) 22.675 21.040 ( 4.280 -9.522 -4.130) 11.227 21.671 ( -5.029 -0.508 -4.156) 6.543 21.851 ( -1.210 0.009 -5.910) 6.033 29.405 ( 10.507 -4.237 2.119) 11.525 30.213 ( 6.579 0.177 -1.979) 6.872 31.435 ( -9.061 -7.455 -0.784) 11.760 31.637 ( -6.340 1.858 1.807) 6.849 32.165 ( 2.408 6.133 8.218) 10.533 33.518 ( 10.204 4.714 -5.193) 12.382 35.778 ( 1.579 4.626 2.901) 5.684 35.892 ( -4.605 -0.051 -0.529) 4.635 36.411 ( 3.401 -3.013 2.542) 5.206 36.669 ( -6.134 -3.133 -3.008) 7.516 51.168 ( -3.841 1.285 3.368) 5.268 52.534 ( 0.070 -3.535 -3.380) 4.891 54.242 ( 4.330 5.476 1.414) 7.123 54.941 ( -2.739 3.835 -5.941) 7.583 55.746 ( -7.456 9.865 -2.330) 12.583 56.576 ( 5.912 -2.207 0.672) 6.347 57.868 ( 9.757 -4.101 7.947) 13.235 58.511 ( -5.945 -8.420 -8.605) 13.427 59.801 ( 1.784 6.290 1.730) 6.763 60.986 ( -2.980 -3.268 -0.838) 4.501 ======================= Grid point 169 (63/355) ======================= q-point: (-0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 2.355 44.632 2.313) 44.754 3.213 ( -35.784 21.012 20.990) 46.503 4.539 ( -24.196 23.080 -8.380) 34.473 5.644 ( 14.901 7.262 -16.630) 23.480 6.192 ( -14.305 14.069 -4.486) 20.560 7.755 ( -21.048 25.990 4.063) 33.690 9.409 ( -7.224 -7.773 5.856) 12.120 9.748 ( 3.884 13.713 10.605) 17.765 10.111 ( 8.422 -3.683 -9.519) 13.233 11.080 ( -7.090 1.144 -12.205) 14.162 11.362 ( -9.894 4.133 -1.069) 10.776 12.637 ( 0.294 2.910 1.792) 3.430 12.964 ( 3.998 -8.244 -0.888) 9.205 14.488 ( 4.973 11.187 0.752) 12.265 16.551 ( -0.229 8.278 1.957) 8.509 16.969 ( -0.136 -6.015 2.420) 6.485 17.481 ( -1.890 21.863 -4.840) 22.472 19.604 ( -0.861 5.057 2.011) 5.510 20.361 ( 12.565 -12.717 11.437) 21.222 21.155 ( 2.129 -6.171 -7.850) 10.210 21.611 ( -5.162 -7.276 -3.635) 9.633 21.791 ( -0.821 -1.013 -7.871) 7.978 29.664 ( 13.440 -5.812 3.283) 15.006 30.317 ( 8.554 -1.298 -2.511) 9.009 31.367 ( -10.679 -5.368 -0.146) 11.953 31.522 ( -8.308 0.300 1.528) 8.453 32.163 ( 0.661 7.915 8.462) 11.606 33.579 ( 14.324 8.370 -5.509) 17.481 35.760 ( 1.010 4.487 1.876) 4.967 35.832 ( -4.083 -0.273 1.200) 4.265 36.480 ( -0.882 -2.125 -2.084) 3.104 36.610 ( -6.239 -6.497 0.243) 9.011 51.137 ( -3.115 -0.483 3.779) 4.921 52.566 ( 0.322 -4.364 -1.371) 4.585 54.259 ( 5.063 5.192 2.051) 7.537 54.782 ( -4.193 7.681 -3.398) 9.388 55.524 ( -5.142 9.577 -1.362) 10.955 56.732 ( 9.834 -2.352 4.109) 10.915 58.067 ( 5.487 -2.341 5.333) 8.002 58.468 ( -5.474 -9.702 -11.600) 16.083 59.740 ( -0.126 7.233 -1.079) 7.314 60.974 ( -3.184 -3.283 -0.370) 4.588 ======================= Grid point 170 (64/355) ======================= q-point: (-0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -7.453 46.462 0.328) 47.058 2.539 ( -34.128 26.954 26.067) 50.702 3.752 ( -27.662 42.416 6.519) 51.057 5.465 ( 1.767 31.280 -19.304) 36.799 5.912 ( -2.755 0.246 -1.313) 3.062 7.170 ( -22.543 23.161 9.832) 33.783 9.479 ( -6.883 -9.767 12.410) 17.228 9.733 ( 5.320 11.677 8.662) 15.482 10.257 ( 12.418 -5.288 -10.043) 16.823 10.702 ( -13.570 16.593 -8.819) 23.179 11.286 ( -7.675 -11.233 -2.833) 13.896 12.581 ( 0.429 9.441 3.016) 9.920 13.127 ( 5.000 -7.884 -0.748) 9.366 14.483 ( 7.276 7.278 2.043) 10.492 16.394 ( -8.330 7.159 -7.927) 13.545 17.089 ( 2.357 -2.821 18.746) 19.104 17.203 ( 10.135 23.117 -11.116) 27.580 19.548 ( -2.274 4.034 3.481) 5.794 20.719 ( 8.661 -7.494 7.548) 13.717 21.123 ( -2.803 -1.703 -9.681) 10.221 21.601 ( -4.289 -9.241 -11.723) 15.532 21.790 ( 1.848 -4.079 -0.908) 4.569 29.963 ( 13.419 -6.180 4.067) 15.324 30.451 ( 8.803 -2.804 -2.987) 9.710 31.249 ( -12.432 -3.204 1.529) 12.929 31.426 ( -8.022 -3.173 0.543) 8.644 32.108 ( -1.505 9.822 7.710) 12.577 33.676 ( 21.322 10.996 -7.569) 25.156 35.725 ( -0.678 3.041 0.483) 3.152 35.801 ( -1.653 1.042 3.204) 3.753 36.388 ( -11.861 -5.062 -6.006) 14.226 36.647 ( -2.063 -5.766 1.092) 6.221 51.141 ( -2.554 -1.765 5.450) 6.273 52.637 ( -0.210 -6.856 3.572) 7.733 54.291 ( 4.924 4.335 1.902) 6.831 54.618 ( -2.677 9.880 2.369) 10.507 55.348 ( -2.422 8.545 -1.562) 9.018 56.995 ( 16.018 -3.108 9.340) 18.801 58.145 ( -2.395 -2.378 -0.443) 3.404 58.412 ( -4.282 -8.475 -14.225) 17.102 59.597 ( -2.427 10.905 -3.467) 11.697 60.967 ( -2.975 -3.465 -0.367) 4.581 ======================= Grid point 171 (65/355) ======================= q-point: (-0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -9.105 42.883 18.379) 47.536 2.003 ( -22.292 31.038 38.677) 54.371 2.852 ( -23.997 57.924 18.726) 65.435 4.913 ( -0.588 38.998 -1.751) 39.042 5.929 ( 5.503 1.709 -5.273) 7.811 6.714 ( -17.434 15.292 8.579) 24.727 9.590 ( -7.785 -9.657 14.534) 19.108 9.739 ( 0.218 5.441 10.241) 11.598 10.196 ( -8.960 15.651 -5.872) 18.967 10.513 ( 12.034 -4.709 -11.279) 17.152 11.334 ( -4.843 -15.011 -0.154) 15.774 12.481 ( -0.062 12.196 5.324) 13.308 13.255 ( 3.174 -5.521 -5.884) 8.670 14.535 ( 5.105 4.063 3.986) 7.646 16.042 ( -10.262 10.348 -16.857) 22.283 16.906 ( -0.502 16.646 -21.403) 27.119 17.638 ( 33.605 -4.819 53.174) 63.087 19.479 ( -4.174 3.601 2.809) 6.187 20.801 ( -2.634 0.157 -8.038) 8.460 21.074 ( -1.810 -2.249 -0.283) 2.901 21.597 ( 4.571 -5.417 -8.993) 11.451 21.882 ( 1.442 -5.402 0.581) 5.621 30.231 ( 7.058 -6.172 5.948) 11.104 30.590 ( 8.387 -3.352 -4.324) 10.014 31.125 ( -13.573 -5.822 3.470) 15.171 31.370 ( -4.948 -3.877 -0.904) 6.351 31.989 ( -4.028 11.200 5.741) 13.214 33.813 ( 26.027 12.648 -19.059) 34.650 35.685 ( -0.664 2.109 0.489) 2.265 35.792 ( -1.835 1.153 3.336) 3.978 36.181 ( -18.209 -4.670 -6.089) 19.760 36.665 ( -2.192 -2.828 -2.460) 4.342 51.179 ( -1.955 -2.272 7.851) 8.403 52.798 ( -2.927 -15.388 13.494) 20.675 54.317 ( 3.654 3.452 1.199) 5.168 54.511 ( -2.268 8.931 8.320) 12.415 55.243 ( 1.971 6.404 -0.728) 6.740 57.362 ( 8.774 -6.958 -1.655) 11.320 58.001 ( -5.842 -0.535 -8.746) 10.531 58.413 ( 4.988 -3.814 -2.986) 6.953 59.395 ( 0.762 15.697 1.131) 15.756 60.962 ( -2.513 -3.233 -1.263) 4.285 ======================= Grid point 172 (66/355) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.655 34.148 37.841) 50.975 1.716 ( -1.368 40.954 34.313) 53.446 2.163 ( -1.608 38.623 58.133) 69.812 4.686 ( 23.229 33.199 21.031) 45.651 5.922 ( 4.310 4.383 -6.693) 9.088 6.397 ( -12.972 8.318 3.650) 15.837 9.623 ( -2.224 5.359 4.910) 7.601 9.701 ( -22.008 -10.905 11.235) 27.009 9.961 ( 2.693 10.029 3.211) 10.869 10.618 ( 4.230 -3.534 -12.701) 13.845 11.542 ( 5.338 -17.251 4.259) 18.553 12.368 ( -1.105 11.908 5.602) 13.206 13.226 ( -1.646 1.676 -11.345) 11.586 14.486 ( -9.976 3.259 -5.178) 11.703 15.764 ( 3.966 7.110 -8.633) 11.867 16.477 ( -2.428 27.132 -13.412) 30.363 18.904 ( 15.651 -48.117 54.980) 74.720 19.385 ( -3.065 3.043 1.173) 4.476 20.841 ( 18.266 -8.584 1.350) 20.228 21.057 ( 1.884 -2.910 -0.991) 3.605 21.781 ( 15.954 -6.047 -0.856) 17.083 21.969 ( 9.134 -2.392 -0.655) 9.464 30.347 ( -12.661 -8.676 10.053) 18.347 30.718 ( 12.133 0.559 -6.416) 13.736 31.035 ( -15.205 -8.653 2.409) 17.660 31.369 ( 0.663 -2.947 -1.757) 3.494 31.799 ( -6.869 12.379 3.110) 14.494 33.601 ( -2.620 29.502 -41.832) 51.256 35.656 ( -1.895 2.960 0.620) 3.569 35.732 ( -4.352 -2.291 1.398) 5.113 36.043 ( 7.590 3.778 2.149) 8.747 36.623 ( -1.848 0.078 -4.331) 4.709 51.247 ( -0.997 -1.950 10.939) 11.156 53.109 ( -13.316 -33.373 20.739) 41.487 54.335 ( 1.538 4.877 2.640) 5.755 54.427 ( -6.843 2.600 9.234) 11.783 55.207 ( -2.764 5.017 -0.545) 5.753 56.753 ( -28.916 29.247 -40.787) 57.923 58.218 ( 3.868 -5.910 5.659) 9.051 58.740 ( 16.398 -10.718 4.924) 20.199 59.519 ( 35.558 -4.399 18.272) 40.219 60.953 ( -1.366 -2.437 -2.838) 3.983 ======================= Grid point 175 (67/355) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 13.305 -0.000 41.312) 43.401 3.797 ( 39.619 -0.000 25.794) 47.276 5.146 ( 31.625 -0.000 11.586) 33.680 5.611 ( -4.961 0.000 -11.969) 12.957 5.868 ( 8.672 -0.000 0.195) 8.674 7.953 ( 36.224 -0.000 19.528) 41.152 9.400 ( 7.719 -0.000 -4.548) 8.960 9.751 ( 1.834 -0.000 -0.131) 1.838 10.203 ( 9.060 -0.000 0.624) 9.082 10.657 ( 6.911 -0.000 3.293) 7.656 11.455 ( -14.358 0.000 -2.271) 14.536 12.672 ( -5.920 0.000 -4.107) 7.206 13.208 ( -8.439 0.000 -13.784) 16.162 13.771 ( 32.474 -0.000 20.150) 38.218 15.724 ( 4.069 -0.000 -5.231) 6.627 17.017 ( 21.977 -0.000 -0.806) 21.991 18.544 ( -17.956 0.000 -8.719) 19.961 18.814 ( -18.605 0.000 24.981) 31.148 20.283 ( -7.557 0.000 -7.933) 10.956 21.398 ( -11.046 0.000 -9.077) 14.297 21.915 ( 3.718 -0.000 3.591) 5.169 22.690 ( -12.964 0.000 -3.169) 13.346 29.466 ( -7.004 0.000 -8.383) 10.924 30.385 ( -9.314 0.000 5.526) 10.830 31.347 ( 9.030 -0.000 1.881) 9.224 31.422 ( -3.728 0.000 -1.234) 3.927 31.934 ( 7.781 -0.000 3.609) 8.577 32.912 ( 10.558 -0.000 -2.794) 10.922 35.703 ( 3.198 -0.000 1.014) 3.355 36.008 ( 3.493 -0.000 5.518) 6.530 36.361 ( -3.011 0.000 -5.489) 6.261 36.707 ( 6.027 -0.000 -7.395) 9.540 51.551 ( -7.553 0.000 17.528) 19.086 52.635 ( -7.548 0.000 -2.544) 7.965 54.321 ( 10.111 -0.000 -2.429) 10.399 54.639 ( 2.426 -0.000 -4.635) 5.232 55.366 ( 17.961 -0.000 16.836) 24.618 56.238 ( 5.181 -0.000 -9.745) 11.037 57.926 ( -11.169 0.000 -4.811) 12.161 58.702 ( -6.606 0.000 -0.511) 6.625 60.606 ( -6.006 0.000 6.616) 8.935 60.650 ( -2.659 0.000 -7.703) 8.149 ======================= Grid point 176 (68/355) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 6.880 1.335 40.273) 40.879 4.351 ( 33.677 24.824 19.556) 46.183 5.425 ( 4.079 1.451 -11.007) 11.828 5.714 ( 14.832 -19.425 -15.597) 28.993 6.074 ( 11.587 -6.101 11.510) 17.434 8.468 ( 23.165 2.325 7.066) 24.330 9.472 ( 11.024 5.955 -4.082) 13.178 9.800 ( 1.573 -4.807 0.733) 5.110 10.325 ( 10.361 5.542 -1.103) 11.802 10.857 ( 9.439 -8.495 2.847) 13.014 11.275 ( -9.884 -2.037 1.573) 10.213 12.481 ( -14.293 -2.077 -8.251) 16.633 13.004 ( -6.290 1.433 -11.068) 12.811 14.441 ( 34.464 0.427 24.138) 42.078 15.828 ( 10.877 -6.727 -8.099) 15.138 17.291 ( 18.484 4.885 -3.242) 19.391 18.201 ( -19.145 0.198 -1.597) 19.213 18.776 ( -15.973 -7.465 21.496) 27.801 20.129 ( -2.753 3.576 -8.003) 9.188 21.157 ( -12.031 0.469 -9.832) 15.545 21.962 ( 2.444 2.529 1.516) 3.829 22.449 ( -12.325 5.081 -1.828) 13.456 29.325 ( -2.914 1.614 -8.069) 8.729 30.296 ( -6.306 1.325 4.123) 7.649 31.367 ( -4.621 -2.929 -1.561) 5.689 31.495 ( 5.884 -2.615 3.428) 7.295 32.053 ( 6.017 1.523 4.612) 7.733 33.078 ( 11.090 -3.548 -2.949) 12.011 35.763 ( 3.949 0.460 1.793) 4.361 36.091 ( 3.094 1.171 5.962) 6.819 36.270 ( -3.346 0.780 -5.640) 6.604 36.728 ( 2.275 -0.888 -5.269) 5.808 51.524 ( -9.420 2.671 15.222) 18.100 52.529 ( -3.419 -0.846 -6.110) 7.052 54.398 ( 10.150 9.305 -1.050) 13.810 54.723 ( 3.432 -11.074 -5.762) 12.947 55.770 ( 18.395 -1.366 17.863) 25.677 56.249 ( 3.940 -1.862 -8.788) 9.809 57.702 ( -11.404 2.511 -6.031) 13.143 58.601 ( -8.123 -2.548 -1.863) 8.715 60.397 ( -3.283 14.883 0.474) 15.248 60.716 ( -3.004 -11.393 -1.210) 11.845 ======================= Grid point 177 (69/355) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( -1.641 2.393 39.321) 39.428 4.527 ( 30.582 37.143 8.874) 48.925 5.409 ( 6.023 -0.091 -11.130) 12.655 5.865 ( 3.083 -1.795 -10.963) 11.529 6.475 ( 9.611 -21.534 -2.591) 23.723 8.699 ( 13.678 6.636 0.848) 15.226 9.514 ( 7.778 6.090 -3.975) 10.648 9.925 ( 3.487 -6.708 2.206) 7.875 10.352 ( 9.127 12.413 0.042) 15.407 11.047 ( 2.917 -2.406 0.720) 3.849 11.312 ( 2.657 -10.289 3.342) 11.139 12.246 ( -14.306 -7.394 -9.705) 18.803 12.847 ( -4.108 0.505 -8.492) 9.447 14.972 ( 18.624 2.628 13.832) 23.347 16.094 ( 19.546 -8.072 -5.385) 21.822 17.286 ( 2.043 16.674 -2.843) 17.038 18.100 ( -2.388 -6.445 7.068) 9.859 18.824 ( -12.753 -13.386 18.650) 26.260 20.010 ( 1.632 5.811 -7.766) 9.836 20.921 ( -10.836 -1.367 -9.429) 14.429 21.949 ( 0.863 4.067 -0.983) 4.272 22.204 ( -10.622 5.664 -1.088) 12.087 29.239 ( 1.463 2.232 -6.147) 6.702 30.231 ( -2.421 2.177 2.147) 3.901 31.327 ( -6.342 -5.533 -1.500) 8.549 31.620 ( 2.533 -2.855 4.341) 5.780 32.143 ( 4.562 2.108 5.523) 7.468 33.263 ( 11.155 -3.547 -3.606) 12.249 35.827 ( 4.058 1.600 2.640) 5.099 36.118 ( -1.989 3.205 0.599) 3.820 36.206 ( 0.768 -0.552 -0.307) 0.994 36.723 ( -0.806 -1.696 -3.817) 4.254 51.433 ( -9.722 3.976 11.337) 15.454 52.469 ( -1.155 -2.308 -7.233) 7.679 54.408 ( 7.632 8.979 -0.908) 11.819 54.875 ( 5.836 -7.947 -4.833) 10.981 56.097 ( 9.551 1.252 6.646) 11.703 56.309 ( 5.647 -4.783 -0.972) 7.463 57.498 ( -5.755 2.399 -2.388) 6.677 58.502 ( -8.739 -4.517 -3.351) 10.393 60.198 ( -1.055 13.501 1.019) 13.580 60.793 ( -2.608 -9.631 -1.281) 10.059 ======================= Grid point 178 (70/355) ======================= q-point: ( 0.42 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( -11.731 5.547 38.463) 40.593 4.534 ( 28.782 40.875 2.922) 50.077 5.424 ( 8.731 3.847 -12.370) 15.622 5.760 ( -3.704 0.505 -15.321) 15.771 6.733 ( 1.972 -11.697 -5.443) 13.052 8.764 ( 9.098 9.777 -0.141) 13.356 9.488 ( 1.119 4.286 -5.137) 6.783 10.025 ( -2.052 -3.372 1.322) 4.163 10.318 ( 8.082 14.862 2.572) 17.112 11.066 ( 0.135 1.366 -2.791) 3.111 11.500 ( 2.555 -9.221 2.458) 9.879 12.193 ( -1.206 -13.592 -6.118) 14.954 12.755 ( -2.375 -1.578 -6.504) 7.102 15.083 ( 0.405 5.454 -3.877) 6.704 16.436 ( 13.423 -6.643 0.019) 14.977 17.086 ( 2.551 18.603 6.006) 19.714 18.221 ( 4.075 3.164 8.469) 9.916 19.021 ( -3.507 -20.679 16.341) 26.588 19.922 ( 3.059 6.620 -6.969) 10.087 20.774 ( -6.056 -5.962 -7.658) 11.440 21.874 ( -2.379 4.726 -3.257) 6.213 22.001 ( -7.743 3.899 -1.146) 8.744 29.239 ( 6.351 1.292 -3.585) 7.407 30.208 ( 1.716 2.120 0.279) 2.742 31.289 ( -7.919 -6.968 -1.015) 10.597 31.685 ( -1.750 -1.690 4.305) 4.945 32.214 ( 3.396 2.386 6.088) 7.368 33.434 ( 11.573 -1.707 -4.287) 12.459 35.873 ( 3.417 3.163 2.806) 5.437 36.014 ( -4.927 2.434 -1.901) 5.815 36.262 ( 2.819 -1.053 2.860) 4.152 36.689 ( -3.377 -1.857 -3.340) 5.100 51.315 ( -8.870 3.509 7.680) 12.246 52.445 ( -0.087 -3.289 -7.067) 7.795 54.402 ( 6.093 7.603 -1.059) 9.801 54.997 ( 6.440 -1.820 -3.528) 7.565 56.115 ( -1.005 4.151 -3.852) 5.751 56.435 ( 2.377 -2.798 0.462) 3.700 57.520 ( 7.048 -2.167 7.025) 10.184 58.408 ( -8.582 -5.794 -4.687) 11.366 60.062 ( 0.868 10.888 1.776) 11.066 60.847 ( -3.133 -7.900 -1.539) 8.637 ======================= Grid point 179 (71/355) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( -21.101 11.859 35.255) 42.765 4.412 ( 20.486 42.868 -0.633) 47.516 5.309 ( -2.597 8.505 -15.797) 18.128 5.667 ( 10.038 1.460 -14.229) 17.474 6.750 ( -2.418 2.569 -3.099) 4.696 8.721 ( 4.377 16.537 0.261) 17.109 9.357 ( -9.599 0.738 -5.063) 10.877 9.976 ( -4.612 -0.547 -0.843) 4.721 10.279 ( 7.788 16.383 5.280) 18.893 10.996 ( -4.359 -3.907 -9.667) 11.302 11.627 ( 1.224 -2.564 1.728) 3.325 12.393 ( 7.413 -11.431 0.977) 13.659 12.726 ( 0.041 -3.666 -5.108) 6.288 14.897 ( -5.194 7.359 -10.122) 13.549 16.589 ( -1.558 -7.294 -1.726) 7.656 17.027 ( 8.439 18.241 12.876) 23.869 18.204 ( 1.649 14.395 4.807) 15.266 19.427 ( 8.275 -20.897 13.858) 26.404 19.845 ( 1.851 5.005 -3.581) 6.427 20.794 ( 0.734 -10.905 -5.542) 12.254 21.723 ( -6.790 4.280 -3.299) 8.678 21.869 ( -4.571 1.328 -3.814) 6.100 29.348 ( 11.189 -0.740 -1.134) 11.270 30.235 ( 5.316 1.475 -1.182) 5.642 31.247 ( -9.254 -7.745 -0.450) 12.075 31.663 ( -6.187 0.165 3.435) 7.078 32.269 ( 2.324 2.826 6.451) 7.416 33.582 ( 12.572 1.002 -4.841) 13.509 35.873 ( -1.323 2.001 -1.813) 3.007 35.921 ( -1.837 3.634 3.834) 5.593 36.343 ( 2.826 -2.357 2.475) 4.435 36.619 ( -5.679 -1.527 -3.518) 6.852 51.206 ( -7.599 1.908 5.416) 9.524 52.444 ( 0.576 -3.826 -6.388) 7.468 54.394 ( 5.642 6.653 -0.952) 8.776 55.046 ( 5.080 4.685 -2.238) 7.264 55.951 ( -6.604 7.496 -3.957) 10.745 56.500 ( 3.672 -3.949 -1.884) 5.712 57.773 ( 11.310 -3.753 9.879) 15.479 58.325 ( -7.954 -6.749 -5.814) 11.942 59.982 ( 1.907 8.561 2.078) 9.013 60.868 ( -4.169 -6.477 -1.532) 7.854 ======================= Grid point 180 (72/355) ======================= q-point: (-0.42 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -28.163 19.720 27.525) 44.041 4.078 ( 5.573 42.646 -2.943) 43.109 5.018 ( -2.758 17.011 -8.549) 19.237 5.771 ( 19.359 5.405 -10.201) 22.540 6.570 ( -5.042 14.951 -2.687) 16.006 8.406 ( -12.307 27.699 0.122) 30.311 9.222 ( -9.222 -7.567 0.436) 11.937 9.963 ( 2.583 -1.417 -1.409) 3.266 10.223 ( 7.877 17.169 4.000) 19.308 10.917 ( -6.630 -8.271 -10.971) 15.256 11.565 ( -6.452 7.021 -1.900) 9.723 12.627 ( 7.102 -4.390 5.886) 10.216 12.778 ( 2.749 -6.161 -3.459) 7.582 14.696 ( -1.493 5.645 -7.820) 9.760 16.597 ( -2.319 -4.926 -7.399) 9.187 17.028 ( 1.993 12.838 18.661) 22.738 18.015 ( 1.536 21.531 -1.332) 21.627 19.690 ( 0.726 1.342 -1.969) 2.491 20.022 ( 13.837 -14.385 13.926) 24.337 20.942 ( 4.118 -12.035 -4.959) 13.652 21.548 ( -8.386 1.875 -3.929) 9.448 21.766 ( -4.508 -0.873 -5.881) 7.461 29.562 ( 14.918 -2.813 0.667) 15.196 30.308 ( 7.564 0.507 -2.098) 7.866 31.196 ( -10.229 -7.931 -0.254) 12.946 31.555 ( -9.608 1.457 2.372) 10.003 32.301 ( 0.997 3.793 6.550) 7.634 33.714 ( 14.292 3.528 -5.492) 15.712 35.791 ( -5.639 -0.880 -1.783) 5.979 35.906 ( 1.636 5.629 5.049) 7.736 36.424 ( 1.492 -2.814 -0.179) 3.190 36.516 ( -7.085 -1.690 -2.190) 7.606 51.128 ( -6.314 -0.072 4.823) 7.946 52.464 ( 1.154 -4.193 -5.275) 6.836 54.397 ( 5.615 5.830 -0.722) 8.126 55.004 ( 2.806 10.506 0.488) 10.885 55.733 ( -6.311 8.121 -2.975) 10.707 56.630 ( 7.383 -5.876 -0.458) 9.446 58.015 ( 7.560 -2.045 7.268) 10.685 58.257 ( -6.664 -7.597 -7.158) 12.384 59.927 ( 1.712 7.964 1.432) 8.271 60.864 ( -4.889 -5.770 -1.051) 7.635 ======================= Grid point 181 (73/355) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -28.548 26.383 21.193) 44.274 3.552 ( -6.446 42.506 2.902) 43.090 4.693 ( 1.678 35.146 3.624) 35.372 5.919 ( 14.807 4.990 -5.711) 16.637 6.222 ( -1.432 27.061 -7.069) 28.006 7.797 ( -23.647 28.821 5.416) 37.671 9.253 ( -4.928 -9.435 5.480) 11.972 10.043 ( 7.340 3.727 3.162) 8.818 10.178 ( 8.806 8.611 -3.948) 12.934 10.837 ( -6.935 -6.385 -10.419) 14.051 11.282 ( -12.351 11.597 -1.578) 17.015 12.753 ( 4.197 4.798 5.285) 8.281 12.901 ( 3.010 -10.305 -1.324) 10.817 14.621 ( 3.192 3.631 -2.583) 5.481 16.524 ( -1.238 1.532 -14.076) 14.213 17.053 ( -4.533 4.225 23.726) 24.522 17.773 ( 7.192 23.174 -4.479) 24.674 19.638 ( -1.178 3.452 -0.120) 3.649 20.495 ( 13.849 -11.308 12.126) 21.604 21.073 ( 2.392 -6.079 -6.515) 9.226 21.392 ( -8.980 -4.201 -6.355) 11.776 21.699 ( -2.253 -3.817 -4.554) 6.354 29.844 ( 16.402 -3.935 1.720) 16.955 30.406 ( 7.408 -0.874 -2.427) 7.844 31.132 ( -10.190 -6.765 -0.622) 12.247 31.399 ( -11.019 0.727 1.679) 11.170 32.292 ( -0.817 5.516 5.916) 8.129 33.846 ( 16.412 4.499 -7.161) 18.462 35.716 ( -6.011 -2.223 -0.530) 6.431 35.898 ( 1.828 5.841 4.859) 7.814 36.339 ( -8.463 0.094 -5.765) 10.240 36.530 ( 0.102 -4.326 1.759) 4.671 51.093 ( -5.087 -1.920 5.729) 7.899 52.506 ( 1.512 -4.704 -3.473) 6.039 54.407 ( 5.137 5.092 -0.482) 7.249 54.903 ( 1.130 13.678 5.033) 14.618 55.542 ( -3.839 7.854 -2.756) 9.167 56.854 ( 11.065 -8.084 1.979) 13.845 58.090 ( -4.679 -2.425 -2.083) 5.667 58.247 ( 0.935 -5.134 -3.089) 6.064 59.847 ( 0.640 9.664 0.438) 9.695 60.856 ( -4.629 -5.639 -0.555) 7.317 ======================= Grid point 182 (74/355) ======================= q-point: (-0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -18.366 30.364 29.102) 45.894 2.963 ( -9.733 44.067 14.089) 47.277 4.226 ( -0.750 54.210 10.123) 55.152 5.731 ( -9.086 20.837 0.038) 22.732 6.105 ( 26.519 19.699 -8.499) 34.111 7.176 ( -24.774 23.728 10.472) 35.867 9.347 ( -5.054 -9.461 8.914) 13.947 10.042 ( 4.184 15.807 6.431) 17.571 10.269 ( 8.373 -7.146 -11.685) 16.053 10.669 ( -2.686 11.685 -8.178) 14.513 11.055 ( -8.571 -4.607 2.092) 9.953 12.731 ( 0.272 8.747 4.620) 9.896 13.057 ( 2.154 -10.221 -2.863) 10.831 14.638 ( 3.700 3.637 2.374) 5.706 16.310 ( -2.416 10.457 -17.864) 20.840 17.091 ( -6.545 1.323 13.843) 15.369 17.719 ( 15.248 11.790 10.986) 22.185 19.576 ( -1.969 4.276 1.525) 4.948 20.772 ( 2.007 -3.722 1.806) 4.598 21.059 ( -0.301 1.064 -5.690) 5.797 21.360 ( -0.986 -12.037 -4.195) 12.785 21.743 ( 2.022 -6.545 -1.788) 7.080 30.128 ( 12.661 -3.186 2.793) 13.351 30.504 ( 5.046 -3.649 -2.807) 6.831 31.047 ( -8.512 -2.415 -0.332) 8.854 31.270 ( -8.516 -3.414 0.369) 9.182 32.221 ( -2.928 7.823 4.334) 9.411 33.974 ( 15.455 3.457 -12.533) 20.196 35.663 ( -5.299 -2.903 0.500) 6.063 35.876 ( -0.607 5.490 3.338) 6.454 36.174 ( -5.883 2.216 -3.172) 7.042 36.581 ( -0.755 -3.929 -0.608) 4.046 51.106 ( -3.827 -3.340 7.740) 9.258 52.575 ( 1.171 -6.001 -0.530) 6.137 54.419 ( 4.685 4.804 0.817) 6.760 54.780 ( -2.529 13.333 7.328) 15.423 55.406 ( 0.061 7.335 -1.375) 7.463 57.141 ( 7.818 -10.898 -0.612) 13.426 57.981 ( -4.745 -1.191 -6.540) 8.168 58.318 ( 2.445 -3.469 0.736) 4.308 59.728 ( 0.874 12.264 1.508) 12.387 60.857 ( -3.370 -5.324 -1.003) 6.380 ======================= Grid point 183 (75/355) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -10.591 25.760 48.527) 55.952 2.491 ( 4.861 44.938 23.983) 51.169 3.551 ( -1.101 62.708 14.446) 64.360 5.474 ( 9.466 24.978 8.240) 27.954 6.183 ( 22.570 20.707 -3.973) 30.886 6.670 ( -21.659 15.833 10.213) 28.707 9.441 ( -7.030 -8.880 10.772) 15.630 9.868 ( -8.084 12.693 1.166) 15.093 10.297 ( 5.840 8.083 -6.741) 12.036 10.539 ( 6.513 4.277 -7.707) 10.960 11.168 ( 3.680 -13.794 5.672) 15.362 12.635 ( -2.072 9.841 4.047) 10.840 13.141 ( -0.688 -7.044 -6.272) 9.456 14.604 ( -4.571 5.877 -1.219) 7.544 16.033 ( 3.151 13.913 -13.208) 19.441 16.968 ( -2.185 13.441 -4.652) 14.391 18.127 ( 7.917 -18.073 38.368) 43.145 19.495 ( -2.083 5.643 1.298) 6.153 20.741 ( -4.297 -4.008 -6.623) 8.854 21.018 ( 3.381 0.637 -4.341) 5.539 21.557 ( 5.105 -11.785 2.066) 13.009 21.866 ( 6.106 -6.028 -0.480) 8.594 30.249 ( -4.854 -1.427 4.121) 6.526 30.642 ( 8.350 -7.702 -4.164) 12.099 30.942 ( -6.092 1.815 1.360) 6.500 31.258 ( -0.452 -6.048 -1.572) 6.265 32.078 ( -4.904 10.325 2.299) 11.659 33.951 ( 2.029 6.202 -23.122) 24.026 35.650 ( -1.466 -3.022 1.361) 3.625 35.771 ( -4.845 5.241 -0.038) 7.137 36.140 ( 7.000 4.026 2.757) 8.533 36.588 ( -1.868 -2.646 -3.154) 4.521 51.168 ( -2.515 -4.186 10.380) 11.471 52.678 ( -0.806 -9.131 3.602) 9.848 54.454 ( 6.008 4.530 3.978) 8.511 54.593 ( -9.298 11.037 5.359) 15.395 55.345 ( 1.976 6.771 0.923) 7.114 57.074 ( -16.031 2.287 -21.295) 26.753 58.071 ( 8.521 -5.717 4.918) 11.379 58.468 ( 9.324 -9.381 4.842) 14.085 59.651 ( 5.929 10.205 6.979) 13.711 60.870 ( -1.054 -4.374 -2.532) 5.163 ======================= Grid point 184 (76/355) ======================= q-point: (-0.08 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -6.628 39.792 31.256) 51.032 2.395 ( 3.441 26.679 41.213) 49.215 3.322 ( 35.665 40.593 41.578) 68.180 5.517 ( 19.720 14.898 7.130) 25.723 6.235 ( 24.759 24.029 -2.692) 34.606 6.316 ( -15.939 11.056 16.756) 25.633 9.453 ( -11.627 -2.685 5.467) 13.126 9.648 ( -5.439 3.435 4.877) 8.073 10.237 ( 8.608 13.456 -4.023) 16.473 10.544 ( 3.702 0.456 -6.020) 7.082 11.502 ( 9.495 -15.200 6.273) 18.988 12.504 ( -1.916 9.678 2.087) 10.085 13.137 ( -0.577 -2.354 -5.443) 5.958 14.300 ( -15.324 9.833 -13.066) 22.411 15.949 ( 9.987 9.621 -2.101) 14.026 16.689 ( 0.903 21.655 -6.292) 22.569 18.661 ( -17.155 -28.565 36.380) 49.332 19.407 ( -2.562 5.578 1.395) 6.294 20.689 ( -9.927 -10.328 -7.178) 16.023 21.215 ( 18.881 -8.894 1.632) 20.935 21.717 ( -2.038 -9.229 -1.760) 9.613 22.131 ( 15.994 -13.271 2.625) 20.948 30.115 ( -17.155 -1.482 2.799) 17.445 30.754 ( -9.785 -7.763 0.269) 12.493 30.924 ( 13.126 3.822 -3.092) 14.017 31.363 ( 6.411 -4.966 -0.865) 8.155 31.871 ( -5.846 12.365 1.158) 13.726 33.528 ( -11.222 20.693 -23.268) 33.099 35.671 ( -1.269 3.383 0.150) 3.616 35.718 ( 3.719 -3.145 1.015) 4.975 36.293 ( 15.630 1.358 -0.061) 15.689 36.552 ( -2.391 -1.400 -4.579) 5.352 51.272 ( -1.705 -4.489 13.185) 14.033 52.805 ( -5.950 -12.785 6.963) 15.727 54.339 ( -12.530 8.146 3.718) 15.401 54.554 ( 9.644 4.329 7.206) 12.794 55.245 ( -3.584 10.933 -1.015) 11.550 56.569 ( -8.469 15.488 -22.038) 28.236 58.190 ( -2.328 -4.011 1.834) 4.988 58.797 ( 6.232 -8.750 3.233) 11.219 59.865 ( 13.260 -11.329 13.034) 21.773 60.898 ( 2.180 -2.746 -4.369) 5.602 ======================= Grid point 188 (77/355) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( -1.464 0.000 40.221) 40.247 5.160 ( 29.554 -0.000 15.983) 33.599 5.496 ( 12.644 -0.000 -7.619) 14.762 5.662 ( 17.590 -0.000 -21.335) 27.652 6.139 ( -1.076 0.000 -1.026) 1.486 8.776 ( 14.160 -0.000 -1.090) 14.202 9.687 ( 12.670 -0.000 -0.568) 12.683 9.747 ( -0.571 0.000 -3.025) 3.078 10.583 ( 18.269 -0.000 -2.480) 18.437 10.936 ( 4.951 -0.000 3.491) 6.058 11.187 ( -2.895 0.000 6.996) 7.571 12.157 ( -17.338 0.000 -10.202) 20.117 12.857 ( -5.175 0.000 -9.304) 10.646 14.998 ( 18.667 -0.000 12.820) 22.645 15.994 ( 23.309 -0.000 -3.661) 23.595 17.596 ( 18.872 -0.000 -3.471) 19.189 17.904 ( -15.184 0.000 1.898) 15.302 18.668 ( -15.041 0.000 24.543) 28.785 20.083 ( 0.949 -0.000 -7.349) 7.410 20.903 ( -12.680 0.000 -10.971) 16.767 22.000 ( 0.197 -0.000 -0.608) 0.639 22.280 ( -12.830 0.000 -0.982) 12.868 29.272 ( 2.130 -0.000 -8.318) 8.586 30.258 ( -3.584 0.000 3.730) 5.173 31.258 ( -6.154 0.000 -1.366) 6.304 31.580 ( 3.252 -0.000 4.984) 5.951 32.168 ( 4.227 -0.000 4.897) 6.469 33.216 ( 12.708 -0.000 -2.894) 13.033 35.846 ( 4.817 -0.000 2.258) 5.320 36.162 ( -2.938 0.000 0.463) 2.974 36.200 ( 0.908 -0.000 0.613) 1.096 36.698 ( -0.637 0.000 -4.669) 4.713 51.485 ( -11.556 0.000 13.456) 17.737 52.438 ( -0.879 0.000 -8.941) 8.984 54.612 ( 1.478 -0.000 -6.164) 6.339 54.684 ( 15.371 -0.000 0.188) 15.372 56.131 ( 13.978 -0.000 16.016) 21.258 56.228 ( 3.413 -0.000 -8.948) 9.577 57.533 ( -7.507 0.000 -3.880) 8.450 58.443 ( -9.131 0.000 -2.347) 9.427 60.515 ( 0.425 -0.000 -6.758) 6.771 60.525 ( -5.452 0.000 5.525) 7.762 ======================= Grid point 189 (78/355) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( -7.625 1.998 37.931) 38.742 5.417 ( 22.304 18.478 -0.928) 28.979 5.544 ( 21.285 17.470 -9.499) 29.129 5.785 ( -4.854 2.250 -10.732) 11.992 6.290 ( 10.390 -24.910 -4.203) 27.315 8.893 ( 7.173 1.897 -3.986) 8.423 9.651 ( 1.647 7.566 -3.491) 8.493 9.903 ( 5.375 -6.010 0.449) 8.075 10.694 ( 10.012 15.924 -1.428) 18.864 11.035 ( 0.891 -8.169 -6.261) 10.331 11.307 ( 6.353 -3.235 11.604) 13.619 11.933 ( -6.491 -6.798 -5.851) 11.071 12.734 ( -3.447 -0.289 -7.749) 8.486 15.137 ( 0.803 0.329 -7.734) 7.782 16.332 ( 14.848 -2.088 2.980) 15.287 17.584 ( 8.268 22.005 5.615) 24.168 18.083 ( 12.338 -15.710 6.261) 20.934 18.677 ( -10.197 -6.006 22.797) 25.685 20.049 ( 3.296 3.353 -6.824) 8.287 20.659 ( -11.406 -3.049 -11.075) 16.188 21.960 ( -2.480 1.970 -3.014) 4.372 22.080 ( -11.530 2.120 -0.335) 11.728 29.276 ( 6.840 1.163 -6.835) 9.739 30.246 ( -0.025 0.857 2.128) 2.294 31.168 ( -7.531 -2.774 -0.793) 8.065 31.646 ( -0.814 -1.152 5.661) 5.834 32.250 ( 2.903 0.702 5.143) 5.947 33.395 ( 13.693 -1.060 -3.518) 14.178 35.928 ( 4.723 1.267 2.480) 5.483 36.058 ( -5.601 0.836 -4.189) 7.044 36.259 ( 1.825 0.489 5.346) 5.670 36.648 ( -3.016 -1.199 -3.968) 5.126 51.382 ( -11.998 1.659 10.289) 15.892 52.382 ( 0.840 -1.557 -9.725) 9.884 54.563 ( 3.163 4.700 -4.667) 7.340 54.941 ( 14.553 -2.227 0.375) 14.727 56.197 ( 2.580 2.627 -6.641) 7.593 56.361 ( 2.479 -2.768 4.988) 6.220 57.496 ( 3.741 -0.241 4.920) 6.185 58.307 ( -8.936 -2.366 -2.837) 9.670 60.340 ( -1.206 12.061 0.021) 12.121 60.619 ( -2.672 -10.967 -1.348) 11.368 ======================= Grid point 190 (79/355) ======================= q-point: (-0.58 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( -13.851 6.691 35.610) 38.791 5.339 ( 2.483 28.934 -7.723) 30.050 5.492 ( 7.948 9.991 -13.799) 18.799 5.714 ( 18.760 2.826 -10.483) 21.675 6.677 ( 11.753 -8.593 2.823) 14.831 8.921 ( 3.749 1.525 -3.053) 5.069 9.520 ( -4.097 10.259 -3.928) 11.724 9.965 ( -1.490 0.058 -1.916) 2.428 10.558 ( -3.596 5.188 -4.680) 7.858 11.017 ( 2.046 5.138 -6.470) 8.512 11.536 ( 7.771 -2.098 9.228) 12.245 12.091 ( 9.777 -13.350 1.966) 16.663 12.666 ( -0.149 -1.510 -6.532) 6.706 14.983 ( -7.071 0.868 -16.203) 17.700 16.463 ( -2.017 -3.255 3.810) 5.402 17.516 ( 7.854 21.435 10.499) 25.127 18.442 ( 13.325 4.022 7.330) 15.731 18.926 ( 7.476 -18.802 20.481) 28.790 19.980 ( 1.108 6.270 -6.809) 9.322 20.537 ( -5.218 -10.106 -8.999) 14.503 21.832 ( -6.966 3.947 -3.325) 8.669 21.905 ( -8.278 1.427 -2.116) 8.663 29.356 ( 11.331 0.941 -4.415) 12.197 30.270 ( 3.864 1.137 0.111) 4.030 31.090 ( -9.122 -4.917 0.017) 10.363 31.651 ( -5.503 -0.879 5.110) 7.561 32.311 ( 1.923 0.920 5.178) 5.600 33.585 ( 14.564 -0.377 -4.176) 15.156 35.911 ( -5.214 1.609 -4.168) 6.866 36.005 ( 2.487 2.240 3.814) 5.074 36.312 ( 1.500 -0.133 3.812) 4.098 36.582 ( -4.874 -1.585 -3.445) 6.176 51.252 ( -10.920 1.685 7.323) 13.256 52.362 ( 1.718 -2.749 -9.057) 9.619 54.531 ( 3.740 4.347 -3.460) 6.698 55.146 ( 13.213 3.307 1.279) 13.681 56.108 ( -3.126 5.683 -5.437) 8.463 56.397 ( -0.761 -4.453 -2.599) 5.212 57.699 ( 11.734 -2.197 11.128) 16.320 58.198 ( -8.051 -3.785 -3.333) 9.500 60.203 ( -0.052 9.829 0.912) 9.871 60.682 ( -3.534 -8.990 -1.931) 9.851 ======================= Grid point 191 (80/355) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( -20.505 14.428 30.528) 39.504 4.870 ( -13.543 19.886 -9.844) 25.996 5.430 ( 18.306 20.601 -10.462) 29.478 5.921 ( 22.670 6.173 -6.111) 24.277 6.851 ( 8.761 8.371 4.021) 12.767 8.935 ( 3.758 5.622 -0.460) 6.778 9.157 ( -20.982 12.296 -4.080) 24.659 9.916 ( 1.157 -0.967 -5.761) 5.955 10.470 ( -4.290 -3.332 -3.354) 6.384 10.925 ( 4.824 13.084 -2.177) 14.114 11.653 ( 1.515 1.605 1.810) 2.854 12.424 ( 7.117 -11.405 6.809) 15.070 12.694 ( 7.394 -1.823 -4.129) 8.662 14.756 ( -6.536 -0.059 -14.325) 15.745 16.472 ( -4.434 -4.213 1.937) 6.416 17.417 ( -0.337 17.441 12.716) 21.587 18.477 ( 6.452 16.709 2.383) 18.069 19.512 ( 20.180 -15.764 15.118) 29.737 19.871 ( -0.942 2.366 -2.820) 3.800 20.615 ( 1.652 -14.579 -6.438) 16.023 21.642 ( -8.528 4.601 -3.213) 10.209 21.756 ( -7.981 0.098 -4.458) 9.142 29.525 ( 15.137 -0.449 -2.018) 15.278 30.331 ( 6.834 1.151 -1.512) 7.093 31.017 ( -10.459 -6.556 0.538) 12.355 31.574 ( -9.625 0.153 3.650) 10.295 32.356 ( 0.975 1.158 5.029) 5.252 33.767 ( 15.045 1.178 -4.858) 15.854 35.782 ( -6.858 0.219 -3.109) 7.533 36.033 ( 2.532 4.451 4.447) 6.782 36.363 ( 1.334 -1.787 1.410) 2.638 36.494 ( -6.168 -0.806 -2.695) 6.779 51.135 ( -9.059 0.595 5.699) 10.719 52.370 ( 2.277 -3.456 -7.697) 8.740 54.519 ( 4.227 4.212 -2.210) 6.363 55.255 ( 10.073 9.730 2.757) 14.273 55.916 ( -6.350 7.371 -4.018) 10.526 56.466 ( 3.400 -7.615 -3.322) 8.976 57.969 ( 10.220 -1.720 9.517) 14.071 58.113 ( -6.739 -4.460 -3.900) 8.973 60.113 ( 0.799 7.743 1.445) 7.917 60.706 ( -4.563 -7.378 -1.810) 8.862 ======================= Grid point 192 (81/355) ======================= q-point: (-0.42 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( -22.553 22.310 22.697) 39.007 4.374 ( -13.554 24.795 0.861) 28.271 5.390 ( 19.438 23.662 -5.191) 31.059 6.091 ( 14.088 9.136 -1.443) 16.853 6.814 ( 10.900 22.106 0.605) 24.655 8.493 ( -23.131 27.722 -0.114) 36.104 9.035 ( -2.613 -8.084 2.409) 8.831 9.959 ( 6.391 -4.110 -7.449) 10.641 10.425 ( -4.813 -1.851 -0.912) 5.236 10.827 ( 6.071 13.600 -1.676) 14.987 11.552 ( -6.124 9.247 -1.957) 11.262 12.630 ( 1.064 -11.213 1.736) 11.396 12.840 ( 8.912 1.812 3.689) 9.814 14.640 ( -0.340 -1.928 -7.023) 7.291 16.470 ( -1.840 -4.021 -3.642) 5.729 17.285 ( -6.145 12.713 15.588) 21.032 18.314 ( 5.000 22.057 -3.207) 22.842 19.714 ( 0.644 3.133 -2.484) 4.050 20.190 ( 18.874 -13.853 14.786) 27.690 20.788 ( 1.754 -15.158 -6.449) 16.566 21.435 ( -7.909 4.704 -4.653) 10.312 21.620 ( -7.321 -2.330 -4.194) 8.753 29.773 ( 17.417 -2.049 -0.311) 17.540 30.409 ( 6.501 0.935 -1.928) 6.845 30.953 ( -9.711 -7.616 0.006) 12.341 31.426 ( -11.990 0.998 2.096) 12.213 32.377 ( -0.317 1.937 4.522) 4.930 33.924 ( 14.482 2.394 -6.124) 15.905 35.671 ( -6.759 -1.253 -1.538) 7.044 36.037 ( 2.126 5.458 4.304) 7.269 36.352 ( -4.993 0.365 -4.825) 6.953 36.443 ( -0.765 -2.723 2.172) 3.566 51.059 ( -6.917 -0.909 5.585) 8.937 52.403 ( 2.745 -3.853 -6.001) 7.641 54.522 ( 4.406 4.327 -0.729) 6.218 55.246 ( 4.960 14.471 5.089) 16.122 55.723 ( -4.129 7.253 -3.240) 8.953 56.630 ( 6.639 -10.303 -1.718) 12.377 58.025 ( -5.892 -2.877 -3.542) 7.453 58.169 ( 5.624 -1.666 4.230) 7.232 60.050 ( 0.999 7.352 1.479) 7.566 60.708 ( -4.634 -6.515 -1.138) 8.076 ======================= Grid point 193 (82/355) ======================= q-point: (-0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -16.391 27.266 25.410) 40.716 3.897 ( -9.261 32.491 9.727) 35.157 5.317 ( 16.365 34.513 1.999) 38.248 6.012 ( -7.385 11.630 1.679) 13.878 6.750 ( 24.730 27.290 -4.717) 37.129 7.822 ( -24.547 28.694 7.891) 38.576 9.129 ( -1.997 -8.439 4.918) 9.969 10.079 ( 8.165 -7.180 -10.560) 15.157 10.354 ( -3.871 3.813 2.278) 5.892 10.775 ( 7.183 8.425 -2.001) 11.251 11.267 ( -9.020 15.141 -1.451) 17.684 12.779 ( 0.168 -11.550 -3.137) 11.970 12.913 ( 2.868 5.395 7.121) 9.383 14.676 ( 3.865 -0.944 1.590) 4.285 16.449 ( 2.254 0.386 -11.367) 11.594 17.159 ( -10.629 6.483 17.699) 21.640 18.113 ( 6.430 19.820 -2.660) 21.006 19.672 ( 0.327 3.606 0.423) 3.645 20.636 ( 7.655 -7.046 6.976) 12.527 20.900 ( -0.864 -15.615 -8.493) 17.796 21.266 ( -2.623 4.851 -2.504) 6.056 21.578 ( -1.612 -6.742 -2.101) 7.244 30.060 ( 16.842 -2.608 0.661) 17.056 30.445 ( -1.086 -0.953 -0.620) 1.573 30.937 ( -2.430 -6.743 -2.083) 7.464 31.246 ( -11.935 0.802 1.022) 12.006 32.356 ( -2.029 3.598 3.399) 5.350 34.037 ( 11.246 2.308 -8.950) 14.557 35.598 ( -5.009 -2.145 0.045) 5.449 36.015 ( -0.202 5.730 2.212) 6.145 36.237 ( -2.703 2.586 -1.986) 4.235 36.488 ( -0.434 -3.711 0.242) 3.744 51.035 ( -4.737 -2.408 6.620) 8.489 52.458 ( 2.978 -4.122 -4.126) 6.548 54.534 ( 4.264 4.605 1.499) 6.452 55.129 ( -1.509 15.553 5.552) 16.583 55.588 ( 0.218 7.649 -1.447) 7.788 56.861 ( 6.025 -12.357 -1.144) 13.795 57.947 ( -3.508 -1.574 -4.614) 6.006 58.258 ( 1.565 -1.550 1.789) 2.838 59.979 ( 0.760 8.717 1.835) 8.940 60.718 ( -3.127 -6.083 -0.886) 6.897 ======================= Grid point 194 (83/355) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( -9.779 27.324 36.615) 46.721 3.510 ( 3.740 38.388 16.712) 42.034 4.945 ( -1.140 52.122 7.602) 52.686 5.812 ( -0.066 8.323 0.605) 8.345 6.757 ( 17.719 21.189 -9.966) 29.364 7.261 ( -11.031 33.502 20.640) 40.867 9.236 ( -2.772 -8.392 6.497) 10.969 10.119 ( -5.955 -0.329 -8.703) 10.550 10.278 ( 3.911 4.898 -3.326) 7.096 10.835 ( 11.798 3.112 -1.603) 12.306 11.007 ( -2.091 10.957 4.842) 12.160 12.794 ( -4.143 -0.016 -3.242) 5.261 12.971 ( 1.437 -3.179 4.137) 5.412 14.730 ( 0.552 3.900 3.545) 5.299 16.350 ( 5.714 10.483 -14.064) 18.449 17.092 ( -8.355 -0.867 13.166) 15.617 18.030 ( 3.328 8.701 8.528) 12.630 19.635 ( 0.409 5.604 2.210) 6.037 20.591 ( -14.317 -8.133 -10.566) 19.564 21.074 ( 8.426 0.020 -5.706) 10.176 21.269 ( 1.764 -8.671 5.166) 10.246 21.696 ( 5.426 -7.829 0.275) 9.529 30.245 ( -1.098 0.791 1.902) 2.334 30.449 ( 1.493 -7.312 -0.435) 7.476 31.005 ( 5.802 0.286 -2.813) 6.454 31.109 ( -6.682 -4.393 -0.229) 8.000 32.275 ( -3.809 6.030 1.829) 7.363 34.042 ( 2.877 2.636 -13.651) 14.197 35.585 ( -0.666 -2.222 1.124) 2.577 35.908 ( -4.198 5.905 -1.223) 7.347 36.227 ( 5.359 3.226 2.875) 6.884 36.513 ( -1.435 -3.430 -1.719) 4.097 51.069 ( -2.776 -3.754 8.274) 9.501 52.529 ( 2.627 -4.513 -2.139) 5.643 54.561 ( 3.676 4.381 4.839) 7.492 54.912 ( -6.450 15.135 2.976) 16.719 55.524 ( 2.959 7.908 1.595) 8.593 56.987 ( -5.206 -7.997 -7.723) 12.276 57.963 ( 5.972 -3.356 -0.109) 6.852 58.306 ( 0.323 -4.620 1.316) 4.815 59.897 ( 0.846 9.524 3.603) 10.218 60.752 ( -0.217 -5.303 -1.778) 5.597 ======================= Grid point 195 (84/355) ======================= q-point: (-0.17 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -6.430 24.639 41.270) 48.494 3.281 ( 4.976 42.916 20.872) 47.981 4.405 ( 9.971 46.840 18.953) 51.503 5.782 ( 7.954 8.688 -1.740) 11.907 6.517 ( -11.190 11.095 -6.609) 17.088 7.101 ( 22.900 39.382 25.006) 51.968 9.329 ( -3.713 -6.781 6.532) 10.121 9.846 ( -11.959 10.847 -1.899) 16.257 10.269 ( 0.802 -4.253 -10.863) 11.693 10.862 ( 15.189 19.612 -0.947) 24.824 11.172 ( 9.649 -11.869 9.182) 17.840 12.673 ( -5.337 3.390 -3.161) 7.068 13.046 ( 0.464 -3.480 2.065) 4.073 14.571 ( -8.981 11.857 -6.729) 16.326 16.233 ( 8.788 13.347 -5.140) 16.787 17.059 ( -0.954 6.147 -0.525) 6.243 18.130 ( -8.672 -11.128 26.328) 29.869 19.574 ( 0.032 7.760 2.191) 8.063 20.418 ( -14.034 -12.538 -12.242) 22.451 21.145 ( 11.868 1.650 -3.366) 12.446 21.455 ( -0.644 -12.453 1.126) 12.521 21.901 ( 8.247 -7.829 2.301) 11.602 30.093 ( -16.345 -0.513 1.352) 16.409 30.567 ( -2.315 -6.793 -0.000) 7.177 31.023 ( 8.427 3.766 -1.657) 9.378 31.216 ( 7.405 -7.062 -1.428) 10.332 32.128 ( -5.161 8.750 0.478) 10.170 33.844 ( -6.660 7.934 -16.600) 19.568 35.647 ( 3.941 -2.444 0.758) 4.699 35.777 ( -2.791 5.140 -0.700) 5.891 36.334 ( 9.900 1.727 2.584) 10.376 36.504 ( -2.130 -2.429 -3.033) 4.431 51.155 ( -1.591 -4.926 10.113) 11.361 52.609 ( 1.223 -5.210 -0.203) 5.356 54.536 ( -9.798 6.833 5.278) 13.060 54.719 ( 5.902 10.750 4.706) 13.135 55.477 ( 1.616 9.062 1.728) 9.365 56.791 ( -10.520 3.587 -14.840) 18.540 58.093 ( -0.150 -4.044 0.881) 4.142 58.493 ( 8.474 -13.572 4.543) 16.633 59.848 ( 0.965 5.543 6.291) 8.440 60.815 ( 3.504 -3.972 -3.038) 6.106 ======================= Grid point 196 (85/355) ======================= q-point: (-0.08 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -5.925 38.133 25.471) 46.239 2.991 ( 2.664 20.988 33.620) 39.723 4.557 ( 37.211 27.163 35.228) 57.996 5.769 ( 6.612 6.929 -7.400) 12.103 6.221 ( -7.239 8.892 -3.274) 11.925 7.224 ( 28.486 33.206 26.061) 50.924 9.331 ( -6.106 0.266 0.526) 6.134 9.634 ( -4.875 1.455 5.020) 7.147 10.252 ( -0.209 -3.738 -8.806) 9.569 10.851 ( 15.675 19.579 -0.945) 25.099 11.514 ( 6.473 -11.296 6.992) 14.778 12.557 ( -0.300 2.648 -3.101) 4.089 13.112 ( 2.067 -2.015 3.863) 4.822 14.139 ( -13.238 16.354 -15.059) 25.874 16.207 ( 7.328 11.777 1.459) 13.948 16.904 ( 3.573 14.659 -6.953) 16.613 18.338 ( -17.891 -19.589 30.178) 40.181 19.470 ( -2.536 9.655 1.733) 10.132 20.311 ( -12.158 -14.416 -10.793) 21.728 21.367 ( 14.012 -6.857 0.431) 15.606 21.538 ( -4.307 -9.169 -3.654) 10.769 22.151 ( 6.863 -12.486 2.215) 14.419 29.848 ( -18.014 -0.982 -0.197) 18.042 30.534 ( -9.996 -5.003 0.356) 11.184 31.151 ( 14.023 2.959 -2.352) 14.524 31.419 ( 9.789 -5.869 0.462) 11.423 31.932 ( -5.498 10.700 0.340) 12.034 33.482 ( -6.827 14.970 -13.757) 21.447 35.690 ( -0.941 2.186 0.162) 2.385 35.764 ( 5.505 -1.690 0.644) 5.794 36.444 ( 0.404 -2.181 -5.792) 6.202 36.516 ( 8.300 0.416 0.934) 8.362 51.272 ( -1.876 -5.786 11.991) 13.446 52.676 ( -1.602 -5.445 1.022) 5.767 54.287 ( -10.521 8.148 2.671) 13.573 54.835 ( 11.535 4.580 10.068) 15.981 55.350 ( -0.594 13.843 -1.402) 13.926 56.505 ( -3.040 7.874 -13.794) 16.171 58.078 ( -6.915 -4.246 -1.171) 8.198 58.785 ( 4.318 -9.313 2.829) 10.648 59.908 ( -0.297 -6.976 7.776) 10.451 60.898 ( 5.350 -2.026 -3.592) 6.755 ======================= Grid point 201 (86/355) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( -10.927 0.000 34.961) 36.629 5.520 ( -17.020 0.000 -17.245) 24.229 5.691 ( 20.997 -0.000 -7.972) 22.459 5.962 ( 10.351 -0.000 -15.710) 18.813 6.458 ( 31.174 -0.000 13.831) 34.104 8.923 ( 0.595 -0.000 -4.307) 4.348 9.664 ( -1.225 0.000 -4.651) 4.810 9.971 ( 5.237 -0.000 2.120) 5.650 10.605 ( -22.191 0.000 -15.841) 27.265 11.076 ( 15.096 -0.000 -3.495) 15.496 11.597 ( 17.312 -0.000 15.879) 23.492 11.849 ( 2.942 -0.000 1.044) 3.121 12.649 ( -0.030 0.000 -7.161) 7.161 14.986 ( -7.270 0.000 -17.989) 19.402 16.426 ( -2.274 0.000 5.587) 6.032 17.888 ( -0.372 0.000 0.764) 0.850 18.361 ( 32.411 -0.000 22.024) 39.186 18.715 ( 0.671 -0.000 17.589) 17.601 20.091 ( 4.980 -0.000 -5.683) 7.556 20.378 ( -11.963 0.000 -12.243) 17.118 21.881 ( -5.870 0.000 -5.557) 8.083 21.926 ( -10.929 0.000 0.513) 10.941 29.371 ( 11.377 -0.000 -6.027) 12.875 30.283 ( 3.037 -0.000 1.040) 3.210 31.029 ( -8.900 0.000 0.075) 8.901 31.638 ( -5.127 0.000 5.854) 7.782 32.321 ( 1.717 -0.000 4.708) 5.011 33.578 ( 15.406 -0.000 -3.855) 15.881 35.936 ( -6.900 0.000 -4.809) 8.410 36.025 ( 4.713 -0.000 2.576) 5.371 36.319 ( 0.444 -0.000 5.681) 5.698 36.558 ( -4.410 0.000 -3.841) 5.848 51.274 ( -12.389 0.000 8.258) 14.889 52.327 ( 2.437 -0.000 -10.297) 10.581 54.585 ( 2.268 -0.000 -4.529) 5.065 55.188 ( 16.980 -0.000 2.715) 17.196 56.199 ( 2.673 -0.000 -8.161) 8.588 56.320 ( -6.845 0.000 -0.462) 6.861 57.673 ( 11.580 -0.000 11.469) 16.298 58.152 ( -7.831 0.000 -2.333) 8.171 60.424 ( -5.813 0.000 3.312) 6.690 60.470 ( 1.652 -0.000 -5.097) 5.358 ======================= Grid point 202 (87/355) ======================= q-point: (-0.58 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -15.292 5.233 31.854) 35.720 5.102 ( -18.603 3.450 -15.614) 24.531 5.891 ( 17.558 12.918 -9.690) 23.855 6.019 ( 19.237 1.572 -7.290) 20.632 6.971 ( 24.913 2.043 10.252) 27.018 8.883 ( -4.670 -2.466 -1.819) 5.586 9.534 ( -8.120 9.697 -4.127) 13.304 9.971 ( -1.002 6.753 -4.727) 8.304 10.260 ( -11.844 -10.866 -11.399) 19.705 11.214 ( 10.881 5.936 -2.348) 12.616 11.773 ( 6.826 10.995 8.210) 15.326 12.110 ( 8.168 -14.696 8.118) 18.671 12.668 ( 9.395 -0.510 -4.857) 10.589 14.733 ( -9.281 -1.003 -17.271) 19.633 16.408 ( -5.650 -1.253 6.196) 8.478 17.765 ( -7.734 9.367 5.844) 13.480 18.802 ( 12.442 10.705 9.218) 18.825 19.135 ( 29.061 -13.639 19.926) 37.784 20.009 ( -3.399 8.753 -7.785) 12.197 20.277 ( -1.232 -13.240 -7.864) 15.448 21.715 ( -9.309 1.153 -7.091) 11.758 21.775 ( -9.423 1.155 0.235) 9.496 29.527 ( 15.003 0.266 -4.145) 15.567 30.351 ( 6.334 0.413 -0.709) 6.387 30.905 ( -10.665 -2.476 1.019) 10.996 31.570 ( -9.353 -0.231 4.735) 10.486 32.369 ( 0.838 0.165 4.204) 4.290 33.781 ( 15.972 0.213 -4.344) 16.553 35.793 ( -7.609 0.456 -4.179) 8.693 36.100 ( 3.759 1.150 2.568) 4.696 36.351 ( -0.226 0.430 4.055) 4.084 36.470 ( -5.066 -0.937 -3.069) 5.997 51.149 ( -10.876 0.399 6.427) 12.640 52.310 ( 3.316 -1.390 -9.187) 9.866 54.589 ( 3.032 1.523 -2.504) 4.217 55.429 ( 15.251 4.096 3.607) 16.199 56.092 ( -4.765 7.487 -4.862) 10.119 56.278 ( -1.501 -7.973 -4.532) 9.292 57.939 ( 11.722 -0.703 11.111) 16.166 58.043 ( -6.251 -1.483 -2.244) 6.805 60.297 ( -2.637 7.355 1.232) 7.910 60.522 ( -1.709 -7.463 -2.570) 8.076 ======================= Grid point 203 (88/355) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( -18.919 13.246 24.296) 33.522 4.740 ( -13.007 7.609 -2.403) 15.259 5.865 ( 15.241 16.130 -9.448) 24.119 6.267 ( 18.773 3.994 -1.892) 19.286 7.259 ( 20.264 14.220 6.728) 25.653 8.789 ( -17.622 -4.300 -0.400) 18.144 9.155 ( -8.002 18.598 -1.427) 20.297 9.897 ( 4.145 -0.768 -9.514) 10.407 10.248 ( -4.563 -9.153 -3.152) 10.702 11.222 ( 7.864 13.288 -0.806) 15.462 11.747 ( 1.089 9.134 2.116) 9.439 12.356 ( -0.836 -11.938 3.515) 12.473 12.866 ( 14.944 0.558 3.265) 15.307 14.558 ( -4.155 -3.961 -9.911) 11.453 16.390 ( -4.369 -2.364 3.656) 6.168 17.565 ( -9.930 9.365 7.115) 15.393 18.808 ( 7.657 18.594 0.612) 20.118 19.788 ( 11.155 0.080 1.289) 11.229 19.866 ( 11.095 -9.490 8.769) 17.031 20.428 ( 3.242 -13.933 -4.922) 15.129 21.502 ( -10.368 0.201 -8.299) 13.282 21.625 ( -8.070 2.617 0.383) 8.493 29.744 ( 17.375 -0.488 -2.083) 17.506 30.438 ( 7.368 1.219 -1.973) 7.725 30.795 ( -11.161 -5.111 1.290) 12.343 31.439 ( -12.042 0.147 2.870) 12.380 32.400 ( -0.106 0.276 3.626) 3.638 33.966 ( 14.525 1.146 -5.303) 15.505 35.657 ( -7.057 -0.096 -2.789) 7.589 36.140 ( 2.423 2.772 2.573) 4.492 36.350 ( -1.877 0.105 -1.952) 2.710 36.404 ( -3.257 -1.032 1.648) 3.794 51.047 ( -8.297 -0.139 5.618) 10.021 52.328 ( 3.802 -2.326 -7.222) 8.487 54.604 ( 3.494 2.435 -0.204) 4.264 55.559 ( 9.999 10.757 4.510) 15.363 55.891 ( -5.252 7.151 -3.494) 9.535 56.373 ( 2.627 -11.066 -3.486) 11.896 57.967 ( -4.721 -1.802 -2.569) 5.669 58.150 ( 7.175 -0.275 6.601) 9.754 60.203 ( -1.114 5.608 1.660) 5.954 60.555 ( -2.614 -6.099 -1.692) 6.848 ======================= Grid point 204 (89/355) ======================= q-point: (-0.42 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -14.397 19.803 22.762) 33.429 4.473 ( -8.300 15.864 8.851) 19.972 5.854 ( 16.028 14.462 -6.441) 22.528 6.351 ( 3.554 12.796 1.917) 13.418 7.350 ( 18.854 22.464 1.211) 29.352 8.388 ( -22.819 13.931 3.695) 26.990 9.025 ( 1.010 3.222 4.799) 5.867 9.939 ( 6.088 -4.326 -11.092) 13.372 10.269 ( -3.278 -6.423 0.147) 7.213 11.135 ( 5.515 16.113 -0.679) 17.045 11.605 ( -2.839 12.957 -0.728) 13.284 12.486 ( -1.314 -12.352 -0.964) 12.459 13.035 ( 6.083 4.696 7.745) 10.911 14.588 ( 3.818 -5.944 0.681) 7.097 16.391 ( -1.340 -3.480 -0.884) 3.833 17.357 ( -10.530 8.325 6.319) 14.836 18.622 ( 4.027 22.077 -4.455) 22.879 19.743 ( 0.524 2.343 -0.221) 2.411 20.403 ( 16.564 -15.670 7.628) 24.044 20.544 ( -4.871 -9.472 -6.587) 12.523 21.355 ( -1.598 -1.194 -4.855) 5.249 21.489 ( -6.349 2.026 0.414) 6.677 30.009 ( 17.906 -1.549 -0.557) 17.982 30.456 ( -3.561 1.640 0.110) 3.922 30.763 ( -1.532 -7.166 -1.534) 7.487 31.269 ( -11.697 0.717 1.025) 11.764 32.405 ( -1.406 0.887 2.805) 3.261 34.089 ( 10.046 1.915 -7.160) 12.484 35.564 ( -4.274 -0.827 -0.899) 4.445 36.132 ( -0.332 3.754 0.416) 3.791 36.288 ( -1.271 1.697 -0.921) 2.311 36.415 ( -0.941 -2.271 1.520) 2.890 50.994 ( -5.424 -1.124 5.794) 8.016 52.374 ( 4.059 -2.851 -5.068) 7.091 54.628 ( 3.308 3.147 2.334) 5.128 55.505 ( 0.261 15.580 3.878) 16.058 55.757 ( 0.461 6.172 -1.504) 6.369 56.558 ( 4.338 -12.970 -1.327) 13.740 57.911 ( -2.533 -1.353 -3.245) 4.333 58.240 ( 1.229 -0.117 1.701) 2.102 60.145 ( -0.285 5.260 2.068) 5.659 60.579 ( -1.781 -5.303 -0.702) 5.638 ======================= Grid point 205 (90/355) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( -9.699 23.703 29.525) 39.085 4.260 ( 2.746 23.870 13.520) 27.570 5.879 ( 15.130 18.623 -2.856) 24.164 6.074 ( -13.183 20.594 4.896) 24.938 7.224 ( -1.360 19.318 -8.736) 21.245 8.046 ( 4.339 28.017 17.052) 33.084 9.073 ( -0.644 -3.435 5.956) 6.906 9.986 ( 2.126 -5.778 -12.456) 13.894 10.339 ( 2.822 -3.951 2.635) 5.524 10.987 ( -0.474 13.641 -0.828) 13.674 11.402 ( 2.133 16.170 0.125) 16.311 12.592 ( -2.375 -12.050 -4.904) 13.225 13.060 ( -0.238 6.413 9.723) 11.650 14.757 ( 5.501 -2.064 8.060) 9.974 16.431 ( 4.478 -3.291 -5.238) 7.636 17.142 ( -11.956 6.457 5.261) 14.571 18.390 ( 2.244 19.035 -2.591) 19.342 19.746 ( 2.570 3.484 2.754) 5.131 20.377 ( -19.655 -9.659 -14.792) 26.427 20.821 ( 10.333 -14.568 3.570) 18.214 21.326 ( 0.371 6.812 -0.589) 6.847 21.514 ( 6.349 -7.014 1.964) 9.663 30.270 ( 11.414 0.201 0.249) 11.419 30.321 ( -10.687 -2.369 1.890) 11.108 30.870 ( 4.218 -7.719 -3.147) 9.343 31.122 ( -4.846 1.865 -0.688) 5.237 32.371 ( -2.966 2.318 1.654) 4.112 34.100 ( 2.613 2.292 -9.631) 10.238 35.546 ( 0.580 -1.020 0.603) 1.319 36.038 ( -3.739 4.713 -2.425) 6.487 36.292 ( 3.840 2.215 2.619) 5.149 36.436 ( -1.075 -2.759 -0.081) 2.962 50.997 ( -2.821 -2.286 6.478) 7.426 52.441 ( 3.968 -3.061 -3.165) 5.927 54.656 ( 2.171 3.468 5.181) 6.601 55.292 ( -4.559 16.240 1.367) 16.923 55.709 ( 3.045 7.327 1.870) 8.152 56.744 ( 0.382 -11.644 -1.697) 11.773 57.902 ( 2.764 -1.901 -2.548) 4.212 58.231 ( -3.426 -1.946 -1.265) 4.138 60.087 ( -0.745 6.231 2.553) 6.775 60.628 ( 0.893 -4.872 -0.518) 4.981 ======================= Grid point 206 (91/355) ======================= q-point: (-0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -8.537 23.610 33.200) 41.624 4.185 ( 12.982 31.021 18.543) 38.402 5.448 ( -12.401 38.541 7.225) 41.126 5.973 ( 8.014 7.765 -0.268) 11.162 6.812 ( -14.481 13.392 -8.327) 21.410 8.018 ( 21.580 35.804 20.527) 46.572 9.162 ( -0.998 -6.366 5.983) 8.793 9.956 ( -3.631 -2.859 -9.060) 10.171 10.336 ( -2.347 9.032 -5.374) 10.769 10.940 ( 5.993 -3.767 6.176) 9.394 11.318 ( 10.439 15.579 1.415) 18.807 12.612 ( -4.958 -7.828 -8.271) 12.420 13.054 ( -1.235 4.026 11.592) 12.333 14.816 ( -0.807 7.731 3.065) 8.355 16.507 ( 10.824 5.706 -6.030) 13.641 16.985 ( -10.511 -4.682 7.053) 13.496 18.203 ( -2.810 13.147 4.452) 14.162 19.751 ( 2.303 6.604 4.353) 8.238 20.096 ( -20.288 -13.979 -16.893) 29.873 21.112 ( 5.019 -13.782 -0.521) 14.677 21.263 ( 2.672 5.103 -0.676) 5.799 21.736 ( 9.035 -5.923 2.896) 11.184 30.088 ( -17.533 0.091 1.907) 17.637 30.454 ( 3.015 -2.617 -0.161) 3.995 30.991 ( 2.345 -7.986 -0.270) 8.328 31.132 ( 10.928 1.613 -3.245) 11.513 32.284 ( -4.393 4.473 0.446) 6.285 33.975 ( -4.431 3.836 -11.414) 12.830 35.606 ( 4.724 -1.003 0.712) 4.882 35.905 ( -3.563 5.246 -2.061) 6.668 36.363 ( 5.074 0.503 1.431) 5.296 36.450 ( 0.081 -1.683 0.089) 1.687 51.052 ( -1.056 -3.526 7.203) 8.090 52.515 ( 3.321 -3.074 -1.729) 4.844 54.661 ( -3.003 4.164 6.849) 8.560 55.046 ( -1.938 15.421 1.543) 15.619 55.683 ( 3.302 8.213 3.185) 9.407 56.771 ( -6.277 -4.574 -6.345) 10.029 58.000 ( 3.223 -3.686 -0.686) 4.944 58.227 ( -0.022 -8.340 -0.241) 8.343 60.006 ( -2.431 6.611 2.935) 7.631 60.716 ( 4.397 -4.214 -1.076) 6.185 ======================= Grid point 207 (92/355) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -4.015 19.458 35.463) 40.649 3.894 ( -9.451 45.518 11.720) 47.944 5.143 ( 14.235 22.018 19.430) 32.633 5.951 ( 1.671 7.571 -2.146) 8.045 6.479 ( -3.107 11.852 -3.449) 12.728 8.042 ( 19.376 34.362 19.512) 44.010 9.271 ( 0.891 -4.928 4.647) 6.832 9.775 ( -10.051 7.775 -3.219) 13.108 10.169 ( -0.688 0.167 -9.107) 9.134 11.212 ( 12.369 -3.473 1.892) 12.985 11.332 ( 9.676 8.525 6.029) 14.235 12.550 ( -2.936 -3.327 -7.487) 8.703 13.093 ( -0.630 1.010 11.853) 11.912 14.570 ( -7.144 18.297 -9.160) 21.673 16.496 ( 7.153 12.474 0.500) 14.388 17.033 ( -1.883 -6.853 0.133) 7.108 18.079 ( -10.051 1.663 16.879) 19.715 19.706 ( 0.610 9.309 4.034) 10.164 19.919 ( -14.714 -17.813 -15.350) 27.739 21.266 ( -4.568 -9.712 2.805) 11.093 21.322 ( 12.738 -1.185 -6.642) 14.414 21.936 ( 5.904 -6.347 2.045) 8.906 29.833 ( -18.341 -0.094 1.171) 18.379 30.438 ( -6.894 -2.662 -0.886) 7.443 31.170 ( 11.130 -3.748 0.442) 11.753 31.293 ( 11.867 -2.345 -1.898) 12.245 32.144 ( -5.352 6.887 -0.284) 8.727 33.740 ( -6.831 7.297 -11.317) 15.099 35.696 ( 4.583 -0.772 -0.270) 4.655 35.801 ( -0.625 3.911 -0.383) 3.979 36.390 ( -1.443 -2.197 -3.704) 4.542 36.527 ( 7.363 0.422 2.807) 7.891 51.143 ( -0.670 -4.757 7.878) 9.227 52.582 ( 1.965 -2.912 -0.842) 3.613 54.501 ( -11.226 9.052 3.589) 14.861 54.978 ( 6.658 7.716 7.118) 12.431 55.641 ( 3.386 10.782 2.561) 11.588 56.626 ( -5.745 2.197 -9.537) 11.349 57.977 ( -7.984 -4.135 -3.315) 9.583 58.477 ( 8.716 -14.086 4.054) 17.053 59.907 ( -4.326 4.358 2.938) 6.808 60.834 ( 6.538 -3.194 -1.579) 7.446 ======================= Grid point 208 (93/355) ======================= q-point: (-0.08 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -10.947 36.160 15.936) 41.004 3.431 ( -0.473 12.995 30.703) 33.343 5.416 ( 19.587 8.605 22.254) 30.870 5.835 ( -0.677 5.777 -5.587) 8.065 6.378 ( 12.593 16.203 -0.857) 20.539 8.045 ( 12.849 24.789 17.524) 32.965 9.311 ( 1.827 4.562 -2.704) 5.609 9.612 ( -3.057 -1.157 5.270) 6.201 10.154 ( 1.351 -3.790 -6.722) 7.834 11.261 ( 11.517 15.023 -4.728) 19.511 11.483 ( -2.251 -7.078 4.628) 8.751 12.568 ( 6.705 -2.244 -3.036) 7.695 13.166 ( -1.340 -1.305 10.760) 10.921 14.142 ( -3.583 22.086 -11.352) 25.090 16.446 ( 2.710 12.267 3.779) 13.119 16.995 ( 1.687 3.275 -10.836) 11.445 18.125 ( -13.329 -9.895 26.247) 31.056 19.590 ( -2.022 13.256 2.725) 13.683 19.867 ( -9.365 -18.789 -12.146) 24.254 21.312 ( -6.859 -9.440 -0.517) 11.680 21.498 ( 12.650 -3.664 -4.584) 13.945 22.093 ( 1.911 -8.928 0.649) 9.153 29.584 ( -16.013 -0.396 -0.148) 16.019 30.350 ( -8.210 -3.113 -0.811) 8.818 31.358 ( 12.100 1.352 -1.066) 12.222 31.504 ( 10.129 -5.728 1.577) 11.743 31.968 ( -5.636 8.583 0.147) 10.269 33.478 ( -3.753 10.129 -9.354) 14.289 35.700 ( -0.757 1.420 0.182) 1.620 35.841 ( 5.963 -0.483 0.636) 6.016 36.354 ( -2.617 -1.873 -4.464) 5.503 36.650 ( 7.405 0.079 0.595) 7.429 51.248 ( -1.762 -5.808 8.793) 10.684 52.623 ( -0.025 -2.219 -0.694) 2.325 54.264 ( -8.066 7.758 2.421) 11.450 55.072 ( 5.223 2.659 7.143) 9.240 55.573 ( 7.327 14.951 3.096) 16.935 56.467 ( -1.151 4.184 -9.058) 10.044 57.866 ( -11.010 -5.647 -4.446) 13.148 58.753 ( 4.277 -9.175 2.457) 10.417 59.844 ( -4.679 -2.674 3.297) 6.318 60.942 ( 5.469 -1.307 -1.778) 5.897 ======================= Grid point 214 (94/355) ======================= q-point: ( 0.42 -0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( -17.649 0.000 25.211) 30.774 4.819 ( -11.415 0.000 -4.568) 12.295 6.092 ( 7.872 -0.000 -6.583) 10.262 6.287 ( 23.248 -0.000 -6.022) 24.016 7.438 ( 24.647 -0.000 8.390) 26.036 8.721 ( -14.806 0.000 0.213) 14.808 9.416 ( -11.713 0.000 -2.929) 12.074 9.918 ( -0.845 0.000 -14.312) 14.337 10.088 ( 1.494 -0.000 1.310) 1.987 11.368 ( 7.976 -0.000 -2.881) 8.481 12.002 ( 3.506 -0.000 0.361) 3.524 12.083 ( -1.376 0.000 9.337) 9.438 12.872 ( 17.897 -0.000 2.456) 18.065 14.502 ( -6.385 0.000 -10.814) 12.558 16.362 ( -5.380 0.000 5.719) 7.852 17.683 ( -12.517 0.000 3.637) 13.034 19.092 ( 10.105 -0.000 5.058) 11.300 19.616 ( 26.482 -0.000 11.975) 29.064 19.901 ( -8.738 0.000 -8.618) 12.273 20.218 ( 9.178 -0.000 -0.660) 9.202 21.497 ( -12.425 0.000 -8.951) 15.313 21.667 ( -7.391 0.000 1.218) 7.491 29.740 ( 17.258 -0.000 -2.914) 17.502 30.455 ( 8.662 -0.000 -2.068) 8.905 30.730 ( -12.673 0.000 1.980) 12.827 31.439 ( -12.012 0.000 3.274) 12.450 32.402 ( -0.057 0.000 3.324) 3.325 33.980 ( 14.794 -0.000 -5.005) 15.617 35.657 ( -7.275 0.000 -3.320) 7.997 36.169 ( 2.948 -0.000 0.790) 3.052 36.371 ( -1.352 0.000 3.909) 4.136 36.376 ( -4.036 0.000 -2.203) 4.599 51.047 ( -8.857 0.000 5.687) 10.526 52.299 ( 4.270 -0.000 -7.646) 8.757 54.634 ( 3.084 -0.000 0.076) 3.085 55.698 ( 13.139 -0.000 4.140) 13.776 56.060 ( -6.877 0.000 -0.995) 6.949 56.150 ( 1.148 -0.000 -6.536) 6.636 57.945 ( -4.172 0.000 -2.034) 4.641 58.148 ( 7.700 -0.000 7.242) 10.571 60.293 ( -5.073 0.000 2.156) 5.512 60.457 ( 1.231 -0.000 -2.445) 2.738 ======================= Grid point 216 (95/355) ======================= q-point: (-0.50 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( -13.480 7.305 21.249) 26.203 4.696 ( -5.872 3.974 8.429) 11.015 6.120 ( 8.142 7.123 -3.789) 11.462 6.518 ( 13.157 2.005 -6.048) 14.619 7.750 ( 17.654 9.328 3.122) 20.210 8.473 ( -18.610 -1.135 4.621) 19.209 9.250 ( -2.409 8.887 4.492) 10.245 9.874 ( 4.879 -1.209 -11.718) 12.750 10.131 ( -0.661 -4.087 0.293) 4.150 11.405 ( 4.351 5.613 -3.024) 7.719 11.904 ( -0.445 12.320 0.710) 12.349 12.198 ( -2.864 -11.803 0.870) 12.176 13.130 ( 11.157 2.652 8.955) 14.550 14.447 ( 1.860 -4.255 -0.372) 4.658 16.329 ( -4.379 -1.402 3.084) 5.536 17.503 ( -10.481 3.328 0.487) 11.008 19.105 ( 3.938 15.583 -4.484) 16.686 19.783 ( -1.024 1.049 -0.044) 1.466 19.993 ( 8.310 -14.473 -0.646) 16.702 20.417 ( 8.842 -2.511 2.883) 9.633 21.292 ( -6.404 -1.849 -5.168) 8.434 21.571 ( -4.866 2.369 0.858) 5.479 29.987 ( 17.897 -0.374 -1.265) 17.946 30.514 ( -5.175 3.108 0.445) 6.053 30.614 ( -0.427 -5.118 -1.140) 5.261 31.277 ( -11.529 0.090 1.267) 11.599 32.414 ( -1.094 0.046 2.547) 2.772 34.122 ( 9.948 0.764 -6.455) 11.883 35.553 ( -4.046 -0.139 -1.583) 4.347 36.184 ( 0.088 0.799 -2.446) 2.574 36.325 ( -0.694 1.316 1.107) 1.855 36.377 ( -1.762 -1.012 2.665) 3.351 50.978 ( -5.880 -0.277 5.429) 8.008 52.327 ( 4.699 -1.047 -5.328) 7.181 54.680 ( 2.614 1.094 2.847) 4.017 55.834 ( 6.904 7.167 3.829) 10.663 55.889 ( -4.474 8.723 -2.382) 10.088 56.248 ( 2.992 -12.486 -1.414) 12.917 57.887 ( -2.029 -0.536 -2.541) 3.296 58.243 ( 1.145 0.174 1.427) 1.838 60.233 ( -2.671 2.058 2.153) 4.000 60.481 ( 0.803 -2.468 -0.493) 2.642 ======================= Grid point 217 (96/355) ======================= q-point: (-0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( -9.213 14.035 26.417) 31.300 4.653 ( 2.257 9.729 12.539) 16.031 6.132 ( 8.682 8.206 -1.069) 11.994 6.490 ( -2.807 9.467 -4.974) 11.056 7.640 ( -11.456 13.068 -8.972) 19.558 8.450 ( 9.951 6.574 17.106) 20.853 9.182 ( 1.905 11.468 9.127) 14.780 9.889 ( 4.352 -2.213 -11.647) 12.629 10.195 ( 1.541 -6.629 1.766) 7.032 11.316 ( -0.182 11.216 -3.151) 11.651 11.738 ( -1.405 12.180 -0.931) 12.296 12.293 ( -2.585 -12.448 -3.054) 13.076 13.225 ( 0.241 6.927 12.697) 14.466 14.641 ( 9.002 -6.554 10.182) 15.088 16.320 ( -2.102 -4.098 -0.108) 4.607 17.312 ( -6.864 6.014 -3.464) 9.761 18.860 ( -0.973 18.676 -7.061) 19.990 19.801 ( 3.000 1.437 1.683) 3.728 20.119 ( -13.584 -12.146 -11.211) 21.395 20.525 ( 2.369 -8.808 1.977) 9.333 21.370 ( 10.580 -3.936 3.631) 11.858 21.482 ( -1.757 4.680 -0.133) 5.001 30.237 ( 12.564 -1.084 0.997) 12.650 30.340 ( -10.940 1.660 2.019) 11.248 30.704 ( 2.500 -5.585 -3.482) 7.041 31.150 ( -3.987 0.513 -0.968) 4.135 32.401 ( -2.386 0.489 1.709) 2.975 34.147 ( 2.156 1.499 -8.169) 8.581 35.533 ( 1.586 -0.244 0.134) 1.611 36.122 ( -2.537 2.181 -4.102) 5.294 36.334 ( 1.766 1.363 2.439) 3.305 36.387 ( -0.648 -1.340 1.948) 2.452 50.959 ( -2.906 -0.951 5.436) 6.237 52.383 ( 4.686 -1.673 -3.080) 5.852 54.721 ( 1.348 1.861 5.455) 5.919 55.663 ( -4.326 14.059 -0.951) 14.740 55.861 ( 3.408 5.393 2.543) 6.868 56.453 ( 3.012 -12.402 1.230) 12.821 57.868 ( 1.221 -0.991 -2.915) 3.312 58.203 ( -5.290 -0.570 -3.491) 6.364 60.194 ( -1.241 2.852 2.216) 3.818 60.532 ( 1.739 -2.967 0.795) 3.530 ======================= Grid point 218 (97/355) ======================= q-point: (-0.33 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( -10.829 18.526 28.868) 35.970 4.734 ( 15.150 15.373 16.176) 26.972 6.129 ( -8.426 14.078 5.480) 17.298 6.186 ( 0.156 13.396 -5.305) 14.409 7.141 ( -20.576 13.248 -10.680) 26.700 8.693 ( 21.643 16.054 16.729) 31.717 9.132 ( -0.926 8.554 8.998) 12.449 9.876 ( 1.231 -2.132 -10.560) 10.843 10.376 ( 7.551 -6.203 2.975) 10.215 11.091 ( -4.995 14.065 -1.509) 15.001 11.602 ( 1.423 8.385 -1.451) 8.628 12.370 ( -2.633 -11.571 -6.047) 13.319 13.194 ( -4.955 7.105 15.777) 17.998 14.909 ( 7.468 -0.050 12.736) 14.765 16.396 ( 2.841 -9.348 0.404) 9.778 17.100 ( -4.461 9.953 -6.413) 12.653 18.579 ( -3.175 16.409 -3.836) 17.148 19.757 ( -19.731 -11.791 -18.266) 29.359 19.905 ( -1.843 4.602 4.486) 6.685 20.749 ( 2.729 -15.614 2.203) 16.003 21.413 ( 2.623 6.121 -2.048) 6.967 21.625 ( 11.972 -3.352 4.485) 13.217 30.100 ( -17.131 1.052 3.618) 17.540 30.436 ( 6.268 0.826 -0.715) 6.362 30.783 ( 2.303 -8.650 -1.294) 9.045 31.163 ( 8.032 0.612 -3.080) 8.624 32.353 ( -3.716 1.602 0.758) 4.116 34.044 ( -4.503 2.097 -9.075) 10.345 35.596 ( 5.979 0.079 0.586) 6.008 36.015 ( -3.188 3.744 -3.670) 6.136 36.353 ( -0.496 -1.011 -0.196) 1.143 36.434 ( 3.710 0.055 3.401) 5.033 50.988 ( -0.641 -1.849 5.321) 5.670 52.455 ( 4.190 -1.913 -1.441) 4.826 54.743 ( -1.203 2.699 7.336) 7.909 55.412 ( -5.248 14.407 -0.913) 15.360 55.865 ( 4.205 6.965 4.070) 9.098 56.604 ( -1.264 -8.788 -0.108) 8.879 57.922 ( 4.892 -2.703 -2.029) 5.946 58.086 ( -7.970 -3.907 -5.171) 10.272 60.142 ( -2.110 4.700 1.854) 5.475 60.620 ( 4.050 -3.724 0.972) 5.587 ======================= Grid point 219 (98/355) ======================= q-point: (-0.25 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( -9.674 18.194 29.335) 35.849 4.826 ( 7.713 29.143 14.740) 33.557 5.647 ( -12.207 21.325 4.765) 25.030 6.118 ( -3.203 6.464 -0.844) 7.263 6.735 ( -5.301 8.829 -4.658) 11.302 8.818 ( 14.564 29.541 13.541) 35.611 9.147 ( 2.339 -4.311 7.006) 8.552 9.839 ( -0.678 -0.932 -7.897) 7.981 10.370 ( -4.546 12.448 -6.534) 14.776 11.049 ( 7.843 -3.634 8.858) 12.377 11.540 ( 1.415 3.988 -3.492) 5.486 12.412 ( -0.804 -7.920 -6.087) 10.021 13.162 ( -5.566 4.448 17.979) 19.339 14.950 ( 0.598 12.592 1.669) 12.716 16.640 ( 7.517 -12.319 6.458) 15.810 16.873 ( -3.633 9.877 -4.910) 11.613 18.313 ( -7.392 13.735 0.697) 15.614 19.463 ( -21.579 -18.882 -18.627) 34.193 19.916 ( 3.685 7.334 5.932) 10.127 20.958 ( -1.081 -14.027 2.019) 14.213 21.399 ( 8.185 4.987 -4.578) 10.622 21.832 ( 7.778 -2.656 2.520) 8.597 29.852 ( -17.438 1.803 3.183) 17.818 30.407 ( -5.609 -0.238 -2.139) 6.007 30.996 ( 10.548 -8.599 1.784) 13.726 31.288 ( 11.536 0.028 -3.469) 12.046 32.263 ( -4.815 3.309 -0.103) 5.844 33.859 ( -7.268 3.138 -9.034) 12.011 35.693 ( 6.892 0.546 -0.200) 6.916 35.901 ( -2.481 4.096 -2.272) 5.301 36.343 ( -1.962 -1.713 -1.822) 3.179 36.533 ( 6.205 0.041 3.364) 7.058 51.052 ( 0.411 -2.855 4.955) 5.733 52.526 ( 3.211 -1.835 -0.584) 3.744 54.688 ( -7.047 6.231 6.119) 11.222 55.201 ( -1.770 10.418 2.105) 10.775 55.873 ( 5.418 8.791 4.768) 11.374 56.615 ( -4.273 -2.918 -3.868) 6.460 57.882 ( -10.094 -3.864 -6.176) 12.449 58.180 ( 8.709 -10.218 1.935) 13.564 60.041 ( -4.128 6.167 1.007) 7.489 60.747 ( 6.000 -4.083 0.466) 7.272 ======================= Grid point 220 (99/355) ======================= q-point: (-0.17 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( -6.234 13.292 31.911) 35.126 4.245 ( -23.421 44.935 3.440) 50.789 5.586 ( 8.308 6.276 11.107) 15.225 5.957 ( -4.809 4.186 -2.117) 6.718 6.692 ( 11.357 8.847 2.360) 14.588 8.656 ( -0.449 25.116 10.513) 27.231 9.347 ( 11.497 -1.700 4.666) 12.523 9.708 ( -6.743 7.411 -4.930) 11.167 10.135 ( -0.142 4.636 -7.339) 8.682 11.304 ( 3.405 -7.041 7.481) 10.823 11.476 ( 1.244 2.275 -7.574) 8.005 12.493 ( 6.220 -4.585 -1.442) 7.861 13.171 ( -5.690 1.601 17.142) 18.132 14.687 ( -1.954 21.955 -8.712) 23.701 16.704 ( -0.020 9.911 1.246) 9.989 16.903 ( 0.771 -9.874 1.535) 10.023 18.087 ( -9.383 6.165 9.667) 14.815 19.363 ( -11.015 -23.013 -14.601) 29.396 19.885 ( 1.360 10.894 4.944) 12.040 21.075 ( -4.105 -10.289 1.428) 11.170 21.474 ( 11.973 1.350 -6.252) 13.574 21.953 ( 3.030 -3.099 0.576) 4.373 29.602 ( -15.729 2.106 2.387) 16.048 30.302 ( -6.897 -1.054 -2.308) 7.349 31.277 ( 11.572 -7.522 3.201) 14.168 31.433 ( 10.434 -0.614 -2.476) 10.741 32.133 ( -5.630 5.235 -0.500) 7.704 33.650 ( -6.172 4.550 -8.314) 11.310 35.739 ( 0.843 1.974 -1.669) 2.719 35.858 ( 3.936 1.709 0.299) 4.301 36.314 ( -2.455 -1.431 -2.482) 3.773 36.648 ( 6.342 -0.257 2.080) 6.680 51.131 ( 0.103 -3.887 4.691) 6.093 52.580 ( 1.854 -1.443 -0.438) 2.390 54.481 ( -10.219 9.799 3.112) 14.496 55.151 ( 1.299 3.801 5.208) 6.577 55.879 ( 6.975 10.795 4.973) 13.781 56.530 ( -3.009 0.973 -6.010) 6.791 57.731 ( -11.872 -5.608 -6.080) 14.469 58.479 ( 9.129 -12.049 3.785) 15.583 59.899 ( -5.523 5.697 0.281) 7.940 60.885 ( 6.006 -3.481 -0.188) 6.944 ======================= Grid point 221 (100/355) ======================= q-point: (-0.08 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -18.799 32.374 5.358) 37.818 3.729 ( -4.527 6.279 32.725) 33.628 5.634 ( -3.896 1.097 3.333) 5.243 5.915 ( 7.174 4.503 -3.503) 9.166 6.815 ( 16.175 10.307 4.166) 19.627 8.414 ( -5.819 15.878 8.786) 19.057 9.451 ( 4.843 10.686 -6.304) 13.319 9.611 ( 4.470 -4.555 5.856) 8.662 10.121 ( 3.612 -1.115 -4.560) 5.923 11.271 ( -12.060 -3.605 -4.223) 13.277 11.519 ( 8.585 2.808 -2.150) 9.285 12.663 ( 9.428 -2.397 0.368) 9.735 13.155 ( -9.003 1.356 9.341) 13.044 14.385 ( 5.564 19.260 -2.824) 20.246 16.607 ( -2.769 8.874 4.578) 10.362 16.909 ( -0.068 -2.088 -13.036) 13.202 18.053 ( -10.091 -3.492 20.950) 23.515 19.452 ( -2.272 -20.879 -10.890) 23.658 19.763 ( -1.320 14.452 4.339) 15.147 21.111 ( -5.374 -6.966 -0.573) 8.817 21.607 ( 11.135 -1.409 -5.732) 12.603 22.016 ( -0.664 -5.080 -0.632) 5.162 29.388 ( -11.840 1.662 1.249) 12.021 30.212 ( -5.329 -1.717 -1.841) 5.894 31.515 ( 9.320 -1.024 0.687) 9.402 31.591 ( 8.624 -5.223 1.685) 10.222 31.974 ( -6.010 6.455 0.324) 8.826 33.472 ( -2.314 5.387 -7.146) 9.243 35.704 ( -0.791 0.980 0.007) 1.259 35.930 ( 5.579 0.227 0.447) 5.601 36.274 ( -2.306 -0.863 -2.456) 3.478 36.741 ( 4.711 -0.001 0.287) 4.720 51.209 ( -1.244 -4.853 5.066) 7.124 52.605 ( 0.351 -0.571 -0.933) 1.149 54.263 ( -6.728 7.157 2.174) 10.061 55.161 ( -0.217 2.075 2.401) 3.181 55.903 ( 9.127 10.390 5.843) 15.013 56.445 ( -0.101 2.228 -5.424) 5.865 57.592 ( -10.662 -5.559 -4.986) 13.017 58.730 ( 4.521 -7.790 1.559) 9.141 59.777 ( -4.757 1.180 0.973) 4.996 60.989 ( 4.026 -1.560 -0.696) 4.373 ======================= Grid point 228 (101/355) ======================= q-point: (-0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( -8.738 -0.000 25.511) 26.966 4.763 ( 2.186 -0.000 12.516) 12.705 6.249 ( 5.353 -0.000 1.828) 5.657 6.581 ( 1.740 -0.000 -11.675) 11.804 7.789 ( -15.338 -0.000 -10.963) 18.853 8.516 ( 11.669 -0.000 20.443) 23.539 9.370 ( 4.042 -0.000 10.413) 11.170 9.871 ( 6.881 -0.000 -10.076) 12.201 10.090 ( -1.750 -0.000 -0.700) 1.885 11.456 ( 1.117 -0.000 -3.863) 4.022 12.006 ( -1.154 -0.000 -4.195) 4.351 12.014 ( -5.579 0.000 0.030) 5.579 13.327 ( 0.765 -0.000 14.863) 14.883 14.539 ( 10.201 -0.000 10.058) 14.326 16.269 ( -4.171 -0.000 0.724) 4.233 17.387 ( -4.760 -0.000 -5.655) 7.392 19.139 ( -4.678 -0.000 -10.570) 11.559 19.842 ( -8.183 -0.000 -11.567) 14.169 19.890 ( 7.891 -0.000 8.802) 11.821 20.423 ( -6.472 -0.000 -2.588) 6.971 21.321 ( 11.457 -0.000 4.805) 12.424 21.542 ( -1.534 -0.000 -0.098) 1.538 30.227 ( 12.585 -0.000 1.515) 12.676 30.363 ( -10.750 -0.000 2.234) 10.980 30.632 ( 2.261 -0.000 -4.049) 4.637 31.154 ( -3.993 -0.000 -0.982) 4.112 32.405 ( -2.176 -0.000 1.770) 2.805 34.166 ( 1.948 -0.000 -7.846) 8.084 35.530 ( 1.980 -0.000 -0.056) 1.981 36.146 ( -1.602 -0.000 -5.023) 5.272 36.356 ( -2.254 -0.000 1.934) 2.970 36.368 ( 2.287 -0.000 3.459) 4.146 50.948 ( -2.956 -0.000 5.102) 5.896 52.363 ( 4.936 -0.000 -2.967) 5.759 54.743 ( 1.090 -0.000 5.575) 5.680 55.851 ( -4.510 -0.000 -3.662) 5.809 55.982 ( 1.380 -0.000 2.776) 3.100 56.230 ( 6.148 -0.000 3.957) 7.311 57.856 ( 0.789 -0.000 -2.866) 2.973 58.197 ( -5.968 -0.000 -4.464) 7.453 60.227 ( -1.187 -0.000 2.160) 2.465 60.495 ( 1.927 -0.000 1.363) 2.360 ======================= Grid point 230 (102/355) ======================= q-point: (-0.42 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( -11.974 7.243 27.963) 31.269 4.957 ( 14.660 4.155 15.001) 21.382 6.316 ( 4.425 4.724 5.019) 8.191 6.418 ( -9.433 3.650 -10.864) 14.843 7.368 ( -24.199 4.776 -13.027) 27.894 8.837 ( 12.458 1.811 17.275) 21.376 9.465 ( 6.347 10.567 9.372) 15.485 9.905 ( 5.897 5.802 -5.716) 10.055 10.153 ( 5.803 -11.079 2.539) 12.762 11.377 ( -2.768 6.543 -4.523) 8.422 11.791 ( -6.314 9.807 -4.197) 12.396 12.079 ( -2.864 -12.627 -4.657) 13.760 13.350 ( -9.029 4.520 19.692) 22.129 14.854 ( 14.617 -2.688 17.638) 23.065 16.235 ( -1.884 -3.427 -1.446) 4.169 17.290 ( 2.204 4.576 -10.105) 11.310 18.907 ( -7.760 9.103 -8.740) 14.814 19.516 ( -26.162 -6.809 -19.615) 33.400 20.046 ( 6.659 6.634 8.074) 12.391 20.404 ( -0.661 -11.811 1.364) 11.908 21.522 ( 2.097 2.610 -1.750) 3.777 21.574 ( 13.956 -1.071 5.841) 15.167 30.131 ( -15.874 1.051 5.513) 16.837 30.479 ( 9.992 2.569 -0.708) 10.341 30.603 ( -1.127 -5.771 -2.823) 6.522 31.167 ( 6.787 -0.093 -3.165) 7.490 32.374 ( -3.298 0.330 1.085) 3.487 34.077 ( -5.125 0.684 -8.386) 9.852 35.601 ( 7.008 0.201 0.453) 7.026 36.075 ( -2.153 1.273 -5.178) 5.751 36.334 ( -2.310 -0.390 0.966) 2.535 36.437 ( 3.819 0.103 3.807) 5.394 50.961 ( -0.440 -0.542 4.424) 4.479 52.424 ( 4.564 -0.668 -0.996) 4.719 54.787 ( -0.669 0.947 7.622) 7.709 55.679 ( -8.528 6.511 -3.907) 11.419 56.019 ( 5.479 5.633 4.723) 9.168 56.391 ( 2.646 -7.616 4.180) 9.081 57.877 ( 4.257 -0.951 -2.506) 5.031 58.027 ( -11.201 -1.226 -8.240) 13.959 60.225 ( 0.054 2.031 1.691) 2.644 60.549 ( 2.306 -1.859 2.257) 3.724 ======================= Grid point 231 (103/355) ======================= q-point: (-0.33 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( -14.139 12.079 27.329) 33.056 5.256 ( 19.628 9.112 15.449) 26.589 6.085 ( -16.401 10.769 -6.469) 20.659 6.291 ( -4.533 9.683 3.984) 11.410 6.881 ( -17.288 3.413 -9.999) 20.261 9.067 ( 6.813 -1.025 10.412) 12.485 9.423 ( 4.473 17.982 6.228) 19.548 9.851 ( 2.521 3.647 -5.950) 7.420 10.468 ( 11.515 -4.914 5.434) 13.648 11.178 ( -3.114 11.586 -1.082) 12.046 11.561 ( -9.411 1.261 -7.551) 12.132 12.171 ( -0.769 -12.543 -3.918) 13.163 13.281 ( -11.585 4.709 22.565) 25.799 15.150 ( 8.200 4.423 13.336) 16.268 16.328 ( 4.617 -9.943 3.052) 11.380 17.177 ( 4.945 11.739 -11.288) 17.020 18.616 ( -9.454 10.256 -5.078) 14.844 19.053 ( -30.450 -14.239 -21.265) 39.776 20.084 ( 4.686 7.443 6.525) 10.952 20.618 ( 2.696 -14.039 4.005) 14.846 21.517 ( 5.977 4.219 -4.433) 8.555 21.796 ( 9.882 -0.648 3.754) 10.591 29.914 ( -15.660 2.960 5.602) 16.893 30.408 ( -7.094 -0.063 -3.805) 8.050 30.811 ( 12.510 -6.116 1.929) 14.058 31.277 ( 10.080 -0.745 -3.874) 10.824 32.314 ( -4.286 1.193 0.374) 4.464 33.906 ( -8.428 1.012 -8.059) 11.705 35.714 ( 8.518 0.941 -0.220) 8.573 35.983 ( -2.565 2.533 -4.401) 5.689 36.311 ( -2.376 -0.897 0.014) 2.539 36.530 ( 5.188 -0.178 3.704) 6.377 51.004 ( 1.114 -1.222 3.312) 3.701 52.493 ( 3.703 -0.952 0.133) 3.825 54.797 ( -3.126 2.985 8.296) 9.355 55.432 ( -9.210 7.850 -2.325) 12.322 56.066 ( 6.409 7.388 5.393) 11.169 56.505 ( -1.066 -5.698 1.353) 5.953 57.799 ( -12.575 -2.789 -8.801) 15.600 58.000 ( 7.777 -4.934 -0.308) 9.215 60.183 ( -1.249 5.413 0.676) 5.596 60.644 ( 3.632 -4.308 2.020) 5.985 ======================= Grid point 232 (104/355) ======================= q-point: (-0.25 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.984 ( -13.221 12.001 27.886) 33.112 5.231 ( -15.590 34.436 2.642) 37.893 5.724 ( -1.444 5.539 2.274) 6.159 6.043 ( -9.931 3.987 -1.861) 10.862 6.781 ( 3.780 -1.223 2.154) 4.520 9.119 ( -7.809 8.411 6.784) 13.332 9.368 ( 11.845 8.357 2.950) 14.794 9.824 ( 2.999 3.085 -4.392) 6.148 10.419 ( -5.040 15.693 -6.586) 17.749 11.190 ( 4.357 -0.769 8.765) 9.818 11.400 ( -6.049 -7.215 -10.860) 14.373 12.314 ( 3.218 -11.015 0.522) 11.488 13.232 ( -10.132 3.121 22.345) 24.732 15.121 ( -1.597 13.487 -2.414) 13.794 16.617 ( 8.228 -10.583 8.974) 16.132 16.996 ( -0.328 13.670 -4.857) 14.511 18.300 ( -12.486 9.424 -3.519) 16.034 18.797 ( -16.012 -23.583 -16.055) 32.716 20.098 ( 2.589 7.082 6.097) 9.697 20.827 ( 1.682 -10.210 4.071) 11.120 21.542 ( 9.770 3.825 -7.134) 12.688 21.925 ( 4.966 0.140 1.311) 5.138 29.686 ( -14.119 4.649 5.130) 15.725 30.284 ( -6.562 -0.822 -3.851) 7.653 31.090 ( 11.779 -7.267 3.814) 14.356 31.409 ( 9.326 -1.493 -3.388) 10.034 32.224 ( -5.123 2.555 -0.273) 5.731 33.713 ( -8.392 1.094 -7.390) 11.235 35.795 ( 4.458 2.525 -2.523) 5.711 35.905 ( 0.705 1.891 -1.646) 2.605 36.286 ( -2.311 -0.877 -0.423) 2.508 36.639 ( 5.654 -0.454 2.985) 6.410 51.062 ( 1.487 -1.940 2.067) 3.201 52.552 ( 2.565 -0.895 0.392) 2.745 54.703 ( -7.985 8.226 5.572) 12.747 55.243 ( -5.410 3.590 1.519) 6.668 56.096 ( 5.074 7.605 4.402) 10.148 56.516 ( -2.740 -2.017 -2.188) 4.045 57.610 ( -11.173 -4.218 -6.621) 13.655 58.226 ( 10.139 -8.706 2.442) 13.585 60.068 ( -3.355 7.915 -0.538) 8.613 60.777 ( 4.586 -5.502 1.177) 7.258 ======================= Grid point 233 (105/355) ======================= q-point: (-0.17 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -11.803 7.377 30.802) 33.801 4.346 ( -31.781 40.373 -3.012) 51.469 5.661 ( -6.214 1.266 -1.300) 6.473 5.996 ( 4.652 2.077 0.390) 5.110 6.915 ( 7.229 -1.487 3.341) 8.101 8.828 ( -13.404 16.954 5.098) 22.206 9.516 ( 6.731 -2.738 1.144) 7.356 9.737 ( 1.337 11.142 -5.687) 12.581 10.173 ( 1.242 7.228 -4.603) 8.658 11.142 ( -11.939 -5.763 -5.570) 14.380 11.499 ( 7.644 -4.428 -0.917) 8.882 12.530 ( 6.659 -9.277 3.918) 12.073 13.206 ( -8.516 2.841 17.979) 20.096 14.822 ( -6.167 15.523 -10.216) 19.579 16.765 ( 0.240 7.331 -3.322) 8.052 16.873 ( -2.283 -1.935 6.219) 6.901 18.056 ( -10.319 3.241 5.835) 12.290 18.889 ( -0.517 -25.351 -10.534) 27.457 20.060 ( -0.016 9.574 5.500) 11.041 20.961 ( 0.648 -5.425 2.773) 6.127 21.613 ( 11.497 1.713 -8.461) 14.377 21.964 ( 0.889 0.262 -0.507) 1.056 29.472 ( -11.065 5.327 4.288) 13.007 30.187 ( -4.409 -0.724 -3.367) 5.595 31.375 ( 10.341 -7.933 5.179) 14.024 31.531 ( 7.034 -1.900 -2.274) 7.632 32.100 ( -5.959 4.095 -0.561) 7.252 33.544 ( -5.900 0.989 -6.649) 8.944 35.747 ( -1.339 2.597 -2.450) 3.813 35.945 ( 5.157 0.762 -0.548) 5.241 36.261 ( -1.627 -0.267 -0.118) 1.653 36.738 ( 4.737 -0.216 1.701) 5.038 51.119 ( 0.857 -2.699 1.365) 3.144 52.591 ( 1.384 -0.495 0.004) 1.470 54.476 ( -9.750 10.254 2.640) 14.394 55.193 ( -2.273 0.405 3.463) 4.162 56.088 ( 1.445 5.068 1.280) 5.423 56.472 ( -1.356 0.073 -2.909) 3.210 57.488 ( -6.546 -2.805 -2.890) 7.686 58.504 ( 8.841 -9.925 2.952) 13.615 59.904 ( -4.440 8.246 -1.235) 9.446 60.911 ( 4.155 -4.899 0.295) 6.431 ======================= Grid point 234 (106/355) ======================= q-point: (-0.08 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( -23.783 26.725 -0.264) 35.776 3.887 ( -12.513 1.523 33.593) 35.881 5.548 ( -5.187 -0.580 -5.872) 7.856 6.009 ( 2.643 3.115 -5.622) 6.949 7.019 ( 1.990 -2.033 -1.739) 3.335 8.473 ( -13.009 11.839 4.978) 18.281 9.508 ( -2.658 4.259 -1.200) 5.162 9.724 ( 8.608 -0.659 -4.000) 9.515 10.165 ( 3.711 1.323 -1.177) 4.112 11.017 ( -7.048 -4.885 -5.527) 10.202 11.616 ( 4.650 -1.429 -1.427) 5.070 12.737 ( 5.319 -5.354 1.828) 7.766 13.122 ( -8.569 7.161 7.160) 13.265 14.552 ( -4.156 4.310 -2.743) 6.586 16.627 ( -8.176 3.075 3.497) 9.409 16.869 ( 6.585 5.001 -10.837) 13.631 17.978 ( -12.355 -3.986 14.443) 19.420 19.183 ( 7.934 -21.020 -4.987) 23.015 19.941 ( -2.183 13.547 4.941) 14.584 21.017 ( 0.218 -1.169 0.458) 1.275 21.704 ( 9.643 -0.020 -8.090) 12.588 21.954 ( -1.548 -1.048 -1.233) 2.239 29.307 ( -6.400 4.793 3.193) 8.609 30.130 ( -1.745 -0.787 -2.567) 3.202 31.616 ( 4.953 -1.258 0.741) 5.164 31.647 ( 7.215 -6.971 3.195) 10.529 31.952 ( -6.378 4.544 0.681) 7.861 33.433 ( -1.747 0.633 -5.949) 6.232 35.700 ( -0.882 0.510 -0.265) 1.053 35.995 ( 2.718 -0.082 -1.139) 2.948 36.249 ( 0.312 0.868 0.970) 1.339 36.797 ( 2.561 0.546 0.099) 2.620 51.170 ( -0.403 -3.470 1.751) 3.908 52.603 ( 0.335 0.339 -0.831) 0.958 54.263 ( -6.519 6.582 1.755) 9.429 55.172 ( -2.120 1.249 0.445) 2.500 56.046 ( -2.639 -0.519 -1.906) 3.297 56.449 ( 1.164 1.040 -1.213) 1.977 57.447 ( -0.315 0.376 1.314) 1.403 58.718 ( 4.348 -6.043 -0.017) 7.445 59.755 ( -3.325 4.637 -0.118) 5.707 61.008 ( 2.529 -2.720 -0.348) 3.730 ======================= Grid point 242 (107/355) ======================= q-point: (-0.42 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -15.853 0.000 27.420) 31.673 5.354 ( 20.299 -0.000 14.887) 25.172 6.180 ( -13.567 0.000 -12.857) 18.692 6.452 ( 2.301 -0.000 10.740) 10.984 6.916 ( -27.539 0.000 -14.998) 31.358 9.061 ( 4.331 -0.000 11.528) 12.315 9.621 ( 3.830 -0.000 -0.716) 3.896 9.977 ( -3.952 0.000 -2.480) 4.666 10.337 ( 23.104 -0.000 12.509) 26.273 11.303 ( -6.641 0.000 -7.279) 9.854 11.746 ( -10.293 0.000 -6.545) 12.198 11.870 ( -2.694 0.000 -3.528) 4.439 13.345 ( -14.979 0.000 24.431) 28.657 15.194 ( 12.377 -0.000 18.584) 22.329 16.208 ( 4.450 -0.000 0.044) 4.451 17.336 ( 10.411 -0.000 -13.307) 16.895 18.752 ( -11.998 0.000 -7.574) 14.188 18.859 ( -36.069 0.000 -21.217) 41.847 20.279 ( -2.041 0.000 1.009) 2.276 20.336 ( 11.619 -0.000 10.140) 15.421 21.572 ( 5.452 -0.000 -4.363) 6.983 21.789 ( 10.682 -0.000 4.441) 11.568 29.958 ( -14.664 0.000 7.206) 16.338 30.402 ( -8.987 0.000 -5.172) 10.369 30.735 ( 14.311 -0.000 2.084) 14.462 31.265 ( 9.454 -0.000 -4.057) 10.288 32.328 ( -4.058 0.000 0.624) 4.105 33.917 ( -9.031 0.000 -7.861) 11.973 35.727 ( 9.201 -0.000 -0.262) 9.204 36.014 ( -2.278 0.000 -5.503) 5.956 36.301 ( -2.691 0.000 0.923) 2.845 36.527 ( 4.748 -0.000 3.908) 6.149 50.990 ( 1.358 -0.000 2.782) 3.096 52.481 ( 3.838 -0.000 0.463) 3.866 54.832 ( -1.862 0.000 9.031) 9.221 55.532 ( -12.031 0.000 -4.071) 12.701 56.185 ( 6.565 -0.000 4.345) 7.873 56.404 ( 0.812 -0.000 4.695) 4.765 57.763 ( -13.544 0.000 -9.839) 16.741 57.942 ( 7.177 -0.000 -1.229) 7.282 60.261 ( 1.416 -0.000 0.516) 1.507 60.579 ( 1.261 -0.000 2.788) 3.060 ======================= Grid point 244 (108/355) ======================= q-point: (-0.33 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( -17.983 5.246 27.096) 32.941 5.696 ( 15.431 5.409 9.572) 18.947 5.857 ( -16.384 3.404 -12.191) 20.703 6.268 ( -22.647 15.123 -5.058) 27.697 6.648 ( -3.632 -9.372 5.319) 11.372 9.154 ( -0.315 -0.502 6.392) 6.419 9.616 ( 2.082 6.915 -1.833) 7.451 9.889 ( -1.396 1.706 -2.259) 3.156 10.685 ( 10.952 5.477 4.264) 12.966 11.170 ( -3.957 -6.093 -7.513) 10.451 11.406 ( -12.162 13.407 -4.131) 18.567 11.974 ( 0.303 -15.623 0.966) 15.656 13.295 ( -13.152 1.664 25.214) 28.487 15.322 ( -3.439 3.846 2.113) 5.575 16.436 ( 15.507 -3.994 13.728) 21.092 17.341 ( 8.843 12.464 -13.320) 20.273 18.278 ( -30.090 -14.947 -19.387) 38.790 18.489 ( -14.181 3.322 -4.669) 15.295 20.236 ( 0.026 4.168 3.279) 5.304 20.617 ( 9.360 -6.234 8.353) 14.009 21.622 ( 8.806 2.107 -7.462) 11.733 21.935 ( 6.140 0.368 2.272) 6.557 29.795 ( -12.431 3.390 8.135) 15.238 30.253 ( -6.929 -1.429 -5.816) 9.158 30.965 ( 12.056 -2.769 3.758) 12.928 31.375 ( 8.293 -0.990 -3.826) 9.186 32.263 ( -4.648 0.777 0.134) 4.714 33.722 ( -9.992 -0.002 -7.080) 12.246 35.845 ( 7.936 1.324 -2.030) 8.298 35.936 ( -2.081 0.662 -4.651) 5.139 36.272 ( -2.340 -0.297 1.169) 2.632 36.630 ( 5.271 -0.233 3.779) 6.490 51.034 ( 2.233 -0.552 0.799) 2.435 52.538 ( 2.802 -0.309 1.040) 3.004 54.845 ( -3.435 3.232 9.073) 10.225 55.308 ( -12.376 1.547 -2.539) 12.728 56.242 ( 1.901 4.149 1.188) 4.716 56.451 ( -1.191 -2.672 2.045) 3.569 57.541 ( -9.111 -1.452 -5.952) 10.980 58.080 ( 9.366 -3.276 0.704) 9.947 60.244 ( 0.296 5.543 -1.020) 5.644 60.643 ( 1.634 -4.617 2.427) 5.466 ======================= Grid point 245 (109/355) ======================= q-point: (-0.25 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( -18.846 5.788 28.035) 34.273 5.213 ( -31.505 28.139 -11.024) 43.656 5.714 ( -8.139 4.865 -4.511) 10.501 6.018 ( 2.855 -0.144 2.040) 3.512 6.777 ( -1.901 -9.091 6.126) 11.126 9.109 ( -9.780 5.070 4.268) 11.814 9.538 ( 3.280 5.572 -3.689) 7.444 9.873 ( 0.375 0.067 -1.624) 1.668 10.511 ( -4.900 18.802 -5.940) 20.318 11.045 ( -10.901 -2.139 -11.581) 16.048 11.345 ( 4.282 -7.140 3.417) 9.000 12.229 ( 5.228 -14.683 6.401) 16.849 13.277 ( -8.829 2.655 22.703) 24.504 15.077 ( -14.458 6.038 -13.463) 20.658 16.787 ( 3.405 -3.472 17.756) 18.409 17.079 ( -0.430 18.144 -8.969) 20.244 18.120 ( -7.780 -4.594 -8.979) 12.738 18.302 ( -6.648 -17.796 -4.843) 19.605 20.215 ( -0.451 3.781 4.261) 5.715 20.856 ( 8.092 -3.261 7.030) 11.205 21.677 ( 11.411 3.049 -10.381) 15.725 21.992 ( 2.036 1.334 0.193) 2.442 29.626 ( -9.513 6.886 7.639) 14.009 30.157 ( -3.920 -2.101 -5.265) 6.892 31.206 ( 9.933 -5.466 5.408) 12.561 31.476 ( 5.903 -2.314 -2.763) 6.917 32.173 ( -5.266 2.072 -0.387) 5.672 33.540 ( -8.832 -0.852 -6.300) 10.882 35.818 ( -1.701 3.021 -4.337) 5.553 35.953 ( 4.808 -0.282 -2.565) 5.457 36.260 ( -0.851 0.094 2.017) 2.191 36.733 ( 4.966 -0.126 3.211) 5.915 51.076 ( 2.216 -1.060 -0.900) 2.617 52.582 ( 1.775 -0.281 0.880) 2.001 54.729 ( -8.652 10.268 4.827) 14.268 55.167 ( -6.864 -2.840 2.332) 7.786 56.157 ( -6.893 1.203 -5.165) 8.697 56.456 ( -1.351 -1.072 0.352) 1.760 57.463 ( -0.538 0.334 0.658) 0.913 58.296 ( 9.931 -6.878 2.266) 12.291 60.127 ( -1.749 9.620 -2.260) 10.035 60.762 ( 2.665 -7.156 1.389) 7.761 ======================= Grid point 246 (110/355) ======================= q-point: (-0.17 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( -20.238 1.760 30.942) 37.014 4.252 ( -35.547 33.579 -8.931) 49.709 5.536 ( -6.064 0.285 -7.186) 9.407 6.055 ( 0.781 0.747 -2.498) 2.722 6.852 ( -7.708 -11.163 -0.801) 13.590 8.801 ( -18.452 12.972 2.348) 22.678 9.533 ( 0.892 -0.104 -2.085) 2.270 9.813 ( -1.452 4.546 -4.926) 6.858 10.249 ( -1.382 8.002 -3.140) 8.707 10.919 ( -0.981 -2.769 -7.781) 8.317 11.491 ( 0.186 -9.239 -0.235) 9.244 12.524 ( 6.527 -11.253 6.486) 14.536 13.272 ( -5.343 5.207 16.948) 18.518 14.639 ( -20.290 2.717 -17.247) 26.768 16.662 ( -19.102 -0.834 4.689) 19.687 17.067 ( 16.088 12.559 -2.480) 20.560 17.929 ( -14.490 -0.133 3.337) 14.870 18.637 ( 12.463 -24.102 -1.249) 27.162 20.177 ( -1.260 6.184 4.587) 7.802 21.022 ( 7.262 1.147 4.502) 8.621 21.735 ( 11.115 2.630 -11.363) 16.111 21.976 ( -0.248 1.922 -1.588) 2.505 29.469 ( -5.690 8.477 6.466) 12.085 30.111 ( -0.830 -1.347 -4.082) 4.378 31.458 ( 7.935 -7.595 6.298) 12.661 31.563 ( 3.221 -3.194 -1.009) 4.647 32.052 ( -6.168 3.570 -0.692) 7.160 33.407 ( -5.921 -2.337 -5.631) 8.498 35.733 ( -1.873 2.103 -2.658) 3.873 35.988 ( 1.801 -0.712 -3.029) 3.595 36.276 ( 1.672 1.206 2.973) 3.618 36.813 ( 3.523 0.758 2.146) 4.194 51.111 ( 1.569 -1.619 -1.545) 2.733 52.607 ( 0.940 0.102 0.308) 0.995 54.474 ( -9.962 10.801 2.054) 14.837 55.161 ( -3.335 -2.658 3.554) 5.552 55.973 ( -12.737 -4.563 -8.842) 16.163 56.457 ( 0.154 -0.242 0.422) 0.510 57.501 ( 5.672 3.632 4.869) 8.311 58.539 ( 8.178 -7.926 1.771) 11.526 59.951 ( -2.655 10.611 -2.897) 11.315 60.894 ( 2.775 -6.652 0.420) 7.220 ======================= Grid point 247 (111/355) ======================= q-point: (-0.08 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -28.726 20.662 -4.253) 35.640 3.848 ( -22.752 -3.607 32.368) 39.729 5.407 ( -4.224 -1.047 -11.863) 12.636 5.976 ( -3.893 1.306 -10.140) 10.940 6.804 ( -13.711 -12.198 -6.812) 19.576 8.394 ( -18.411 7.801 2.094) 20.105 9.505 ( -2.154 1.011 1.506) 2.816 9.731 ( -1.140 -0.418 -5.571) 5.702 10.176 ( -2.233 0.283 -2.077) 3.063 10.966 ( 9.417 -0.816 -4.509) 10.473 11.573 ( -2.444 -8.296 -1.057) 8.713 12.743 ( 3.969 -5.883 2.637) 7.571 13.176 ( -6.028 11.568 4.108) 13.676 14.316 ( -15.102 -10.580 -5.250) 19.172 16.497 ( -11.080 -4.104 3.378) 12.289 17.073 ( 12.384 13.868 -9.169) 20.731 17.779 ( -16.103 -6.566 6.859) 18.694 19.106 ( 13.484 -18.551 3.869) 23.258 20.091 ( -1.052 10.684 4.869) 11.788 21.102 ( 6.496 5.356 0.722) 8.450 21.769 ( 6.102 1.366 -8.915) 10.889 21.934 ( 0.438 1.809 -3.732) 4.170 29.361 ( -0.823 8.037 5.153) 9.583 30.107 ( 2.153 -0.423 -2.905) 3.640 31.616 ( 0.219 -3.738 -0.431) 3.769 31.704 ( 5.622 -6.086 6.285) 10.399 31.907 ( -6.681 3.136 0.856) 7.430 33.352 ( -1.452 -3.911 -5.199) 6.666 35.687 ( -0.901 0.060 -0.462) 1.015 35.984 ( -1.033 -1.061 -2.506) 2.911 36.317 ( 3.519 2.138 3.417) 5.350 36.839 ( 0.905 2.203 0.594) 2.455 51.141 ( 0.502 -2.202 -0.702) 2.365 52.610 ( 0.305 0.925 -0.462) 1.078 54.254 ( -6.717 6.393 1.534) 9.399 55.138 ( -3.681 0.417 -1.155) 3.881 55.814 ( -12.671 -10.198 -6.748) 17.609 56.475 ( 1.653 0.021 0.554) 1.744 57.597 ( 8.909 5.371 6.899) 12.483 58.712 ( 4.083 -4.298 -1.686) 6.163 59.785 ( -1.878 7.415 -1.821) 7.862 60.995 ( 1.791 -4.116 -0.218) 4.494 ======================= Grid point 256 (112/355) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( -22.013 0.000 27.370) 35.124 5.504 ( -22.075 0.000 -17.558) 28.206 5.939 ( -21.049 0.000 -9.587) 23.130 5.960 ( 8.740 -0.000 3.109) 9.277 6.607 ( -7.453 0.000 13.593) 15.502 9.144 ( -5.457 0.000 2.804) 6.135 9.673 ( 1.718 -0.000 -3.366) 3.779 9.819 ( -4.863 0.000 -1.670) 5.142 10.871 ( 2.779 -0.000 -3.431) 4.415 10.952 ( -3.911 0.000 -11.344) 12.000 11.258 ( -17.699 0.000 -1.869) 17.798 11.992 ( 11.203 -0.000 9.374) 14.608 13.312 ( -9.061 0.000 24.212) 25.852 15.143 ( -16.875 0.000 -14.231) 22.074 16.739 ( 1.476 -0.000 20.848) 20.900 17.543 ( 15.245 -0.000 -15.505) 21.744 17.674 ( -11.472 0.000 -7.894) 13.926 18.245 ( -17.166 0.000 -3.604) 17.541 20.258 ( -1.147 0.000 2.575) 2.819 20.815 ( 11.768 -0.000 9.473) 15.107 21.720 ( 11.686 -0.000 -11.032) 16.071 22.009 ( 2.215 -0.000 0.674) 2.315 29.731 ( -8.661 0.000 10.729) 13.789 30.115 ( -3.799 0.000 -7.588) 8.486 31.139 ( 9.668 -0.000 5.288) 11.020 31.444 ( 5.330 -0.000 -2.986) 6.109 32.198 ( -4.872 0.000 -0.170) 4.875 33.526 ( -10.066 0.000 -6.239) 11.842 35.865 ( -2.845 0.000 -4.760) 5.546 35.941 ( 5.626 -0.000 -3.997) 6.901 36.262 ( -0.458 0.000 2.927) 2.962 36.732 ( 5.105 -0.000 3.990) 6.480 51.064 ( 2.695 -0.000 -1.670) 3.171 52.579 ( 1.869 -0.000 1.246) 2.246 54.893 ( -2.982 0.000 9.834) 10.276 55.096 ( -13.869 0.000 -2.211) 14.044 56.168 ( -10.763 0.000 -8.727) 13.857 56.440 ( -0.824 0.000 2.378) 2.517 57.474 ( 2.376 -0.000 2.494) 3.445 58.208 ( 9.866 -0.000 1.570) 9.990 60.280 ( 0.865 -0.000 -3.621) 3.723 60.640 ( 0.616 -0.000 2.895) 2.960 ======================= Grid point 257 (113/355) ======================= q-point: (-0.25 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( -25.698 0.960 28.250) 38.202 4.884 ( -33.651 14.807 -18.660) 41.229 5.617 ( -8.085 6.853 -6.093) 12.225 6.037 ( -0.702 -2.501 -3.937) 4.717 6.560 ( -16.843 -10.110 6.319) 20.636 8.992 ( -16.314 3.009 0.585) 16.599 9.606 ( 1.032 6.136 -4.396) 7.618 9.789 ( -4.490 -5.461 -1.100) 7.155 10.618 ( -7.724 20.244 -6.323) 22.571 10.888 ( 2.461 -0.240 -8.793) 9.134 11.163 ( -9.318 -17.647 -0.533) 19.963 12.294 ( 12.685 -5.997 9.353) 16.863 13.362 ( -4.446 2.092 21.330) 21.889 14.681 ( -25.861 0.819 -23.325) 34.835 16.608 ( -25.837 -2.139 8.451) 27.268 17.468 ( 17.611 19.400 -5.779) 26.831 17.940 ( -12.801 -0.312 -2.541) 13.054 18.069 ( 13.408 -21.639 4.903) 25.924 20.261 ( -0.130 1.434 3.345) 3.641 21.047 ( 11.367 0.620 7.957) 13.889 21.806 ( 13.483 2.298 -14.232) 19.739 22.011 ( -0.879 0.705 -1.016) 1.517 29.671 ( -4.719 6.724 10.961) 13.697 30.051 ( -0.302 -3.100 -7.110) 7.762 31.322 ( 7.151 -3.156 6.616) 10.241 31.494 ( 2.276 -1.880 -1.479) 3.302 32.114 ( -5.259 1.444 -0.584) 5.485 33.353 ( -8.904 -1.556 -5.495) 10.578 35.783 ( -2.568 1.570 -3.869) 4.901 35.964 ( 1.392 -0.934 -4.889) 5.169 36.299 ( 2.408 0.576 3.846) 4.574 36.829 ( 4.415 0.439 4.001) 5.975 51.088 ( 2.584 -0.428 -3.382) 4.278 52.609 ( 1.164 0.026 1.059) 1.574 54.757 ( -10.142 12.259 2.926) 16.177 55.023 ( -5.984 -8.944 5.164) 11.936 55.882 ( -17.499 -2.231 -12.946) 21.882 56.448 ( -0.321 -0.342 1.699) 1.762 57.584 ( 8.421 2.425 6.475) 10.896 58.387 ( 9.372 -3.877 1.932) 10.325 60.200 ( -0.230 8.233 -5.436) 9.868 60.718 ( 1.726 -6.500 2.191) 7.073 ======================= Grid point 258 (114/355) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( -30.959 -1.839 30.082) 43.206 3.981 ( -37.471 24.124 -15.115) 47.058 5.415 ( -5.550 3.018 -10.699) 12.425 5.947 ( -9.777 -5.236 -12.176) 16.470 6.465 ( -18.127 -13.591 1.175) 22.686 8.594 ( -27.752 6.668 -1.975) 28.610 9.538 ( -0.730 3.157 -1.340) 3.507 9.749 ( -5.556 -0.865 -0.652) 5.660 10.277 ( -4.123 10.708 -6.379) 13.128 10.949 ( 9.280 -1.563 -4.783) 10.556 11.260 ( -5.971 -16.884 -0.880) 17.930 12.584 ( 9.154 -5.982 5.484) 12.233 13.400 ( -2.433 6.822 14.228) 15.965 14.138 ( -25.824 -4.341 -18.907) 32.299 16.364 ( -19.149 -6.027 6.093) 20.980 17.440 ( 13.379 15.897 -9.515) 22.853 17.678 ( -18.612 -2.135 -0.538) 18.742 18.651 ( 18.701 -18.486 11.344) 28.638 20.262 ( 1.338 4.145 3.985) 5.903 21.225 ( 10.624 4.132 4.137) 12.126 21.841 ( 8.356 4.308 -12.024) 15.262 21.976 ( 1.583 0.873 -5.803) 6.078 29.592 ( -0.561 10.689 8.637) 13.754 30.072 ( 3.044 -3.098 -4.247) 6.074 31.504 ( 3.047 -4.994 3.796) 6.974 31.549 ( 1.387 -5.152 4.091) 6.724 31.997 ( -6.162 3.355 -0.945) 7.080 33.240 ( -6.146 -4.588 -4.881) 9.091 35.708 ( -1.883 1.425 -2.423) 3.383 35.949 ( -1.035 -1.690 -4.026) 4.487 36.361 ( 3.745 1.352 3.779) 5.489 36.895 ( 2.825 2.181 3.486) 4.989 51.104 ( 2.072 -0.913 -3.631) 4.279 52.626 ( 0.706 0.459 0.900) 1.232 54.472 ( -10.103 11.416 1.683) 15.337 55.087 ( -3.624 -5.756 4.462) 8.135 55.581 ( -18.365 -7.598 -11.804) 23.116 56.466 ( 0.680 -0.552 1.677) 1.892 57.722 ( 9.610 4.622 6.812) 12.654 58.581 ( 7.405 -5.471 0.757) 9.238 60.027 ( -1.005 11.270 -6.473) 13.036 60.850 ( 2.591 -7.481 0.964) 7.976 ======================= Grid point 259 (115/355) ======================= q-point: (-0.08 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -35.472 14.185 -8.539) 39.146 3.581 ( -33.282 -7.700 28.382) 44.413 5.179 ( -14.801 -3.910 -18.675) 24.148 5.750 ( -9.924 -5.399 -17.250) 20.620 6.377 ( -14.537 -11.373 -1.306) 18.503 8.095 ( -30.004 -0.834 -1.638) 30.060 9.489 ( -3.047 0.344 3.722) 4.823 9.661 ( -5.717 1.782 1.576) 6.192 10.145 ( 1.472 2.749 -7.228) 7.872 11.080 ( 5.720 -5.951 -5.159) 9.733 11.370 ( -1.101 -10.082 -0.082) 10.142 12.747 ( 0.929 -3.737 0.322) 3.864 13.224 ( -8.165 12.082 -4.512) 15.265 13.960 ( -6.499 -14.651 4.545) 16.660 16.288 ( -9.335 -9.494 4.936) 14.200 17.331 ( 3.799 13.033 -9.240) 16.422 17.471 ( -13.271 -5.874 -3.410) 14.908 19.157 ( 12.088 -14.146 11.061) 21.646 20.259 ( 4.297 8.273 5.182) 10.666 21.301 ( 8.792 8.343 -2.407) 12.357 21.795 ( 0.124 2.827 -3.593) 4.573 21.949 ( 5.304 2.822 -12.511) 13.879 29.538 ( 3.895 10.666 6.605) 13.136 30.141 ( 5.973 -0.779 -2.333) 6.459 31.548 ( -2.980 -3.977 0.855) 5.042 31.738 ( 3.005 -7.502 8.340) 11.613 31.845 ( -7.260 3.299 -0.040) 7.974 33.227 ( -1.067 -8.058 -4.597) 9.338 35.670 ( -0.834 -0.255 -0.497) 1.004 35.923 ( -2.232 -1.742 -2.689) 3.905 36.424 ( 3.918 1.831 3.423) 5.516 36.894 ( -0.154 5.006 2.114) 5.436 51.122 ( 1.217 -1.406 -2.054) 2.771 52.630 ( 0.342 1.457 0.917) 1.755 54.246 ( -6.592 6.844 1.790) 9.669 55.047 ( -7.218 0.376 -5.070) 8.829 55.433 ( -11.914 -14.780 -2.808) 19.191 56.510 ( 2.433 -0.809 2.469) 3.560 57.848 ( 9.201 4.886 6.381) 12.217 58.715 ( 4.085 -2.586 -2.799) 5.587 59.836 ( -1.348 9.084 -6.313) 11.144 60.967 ( 2.099 -4.992 0.124) 5.417 ======================= Grid point 269 (116/355) ======================= q-point: (-0.25 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( -32.389 0.000 28.400) 43.077 4.320 ( -37.127 0.000 -21.289) 42.798 5.560 ( -1.265 0.000 -6.788) 6.905 5.741 ( -27.113 0.000 -18.324) 32.725 6.299 ( -13.404 0.000 8.865) 16.070 8.670 ( -29.691 0.000 -3.704) 29.921 9.657 ( 2.765 -0.000 -6.290) 6.871 9.657 ( -6.277 0.000 4.158) 7.529 10.654 ( -5.905 0.000 -10.389) 11.950 10.711 ( -16.102 0.000 -0.967) 16.131 11.032 ( 13.311 -0.000 -0.935) 13.344 12.507 ( 11.628 -0.000 5.902) 13.040 13.485 ( -0.205 0.000 19.258) 19.259 14.091 ( -29.541 0.000 -25.100) 38.764 16.279 ( -22.585 0.000 7.499) 23.798 17.655 ( -21.361 0.000 -0.536) 21.368 17.701 ( 11.492 -0.000 -19.694) 22.802 18.361 ( 24.335 -0.000 21.172) 32.256 20.309 ( 2.494 -0.000 3.478) 4.280 21.276 ( 11.903 -0.000 5.988) 13.325 21.922 ( 15.477 -0.000 -18.452) 24.084 21.967 ( -3.929 0.000 -1.915) 4.371 29.778 ( -0.277 0.000 15.465) 15.467 29.988 ( 3.449 -0.000 -9.790) 10.379 31.434 ( 4.195 -0.000 7.510) 8.602 31.485 ( -0.996 0.000 0.150) 1.007 32.041 ( -5.411 0.000 -0.866) 5.480 33.177 ( -8.466 0.000 -4.802) 9.733 35.732 ( -2.327 0.000 -3.015) 3.809 35.923 ( -0.944 0.000 -4.941) 5.030 36.377 ( 3.734 -0.000 3.790) 5.321 36.924 ( 3.823 -0.000 4.868) 6.190 51.094 ( 2.562 -0.000 -4.783) 5.426 52.632 ( 0.834 -0.000 1.465) 1.686 54.702 ( -11.603 0.000 0.056) 11.603 54.920 ( -4.186 0.000 8.691) 9.646 55.495 ( -19.364 0.000 -13.863) 23.814 56.458 ( 0.229 -0.000 2.143) 2.155 57.785 ( 9.544 -0.000 6.539) 11.569 58.506 ( 8.286 -0.000 1.446) 8.411 60.204 ( 0.453 -0.000 -10.068) 10.078 60.723 ( 2.346 -0.000 3.345) 4.086 ======================= Grid point 270 (117/355) ======================= q-point: (-0.17 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -40.910 1.192 23.716) 47.303 3.517 ( -39.959 10.161 -14.473) 43.697 5.059 ( -39.542 -5.130 -23.649) 46.359 5.559 ( -2.215 -6.932 -13.085) 14.973 6.219 ( -8.479 -2.375 5.142) 10.197 8.094 ( -42.144 0.095 -5.318) 42.478 9.573 ( -2.808 5.149 4.324) 7.286 9.675 ( -2.420 -1.317 1.371) 3.077 10.310 ( -4.129 12.363 -7.065) 14.825 10.723 ( -11.103 -19.915 -5.197) 23.386 11.267 ( 16.249 -0.684 0.641) 16.276 12.660 ( 3.199 -2.431 -0.850) 4.106 13.476 ( -13.861 8.491 -8.294) 18.249 13.698 ( -4.329 -7.897 7.085) 11.458 16.085 ( -14.758 -5.567 7.012) 17.261 17.336 ( -23.121 -1.986 -0.006) 23.206 17.655 ( 9.913 8.211 -21.184) 24.788 18.869 ( 16.473 -7.976 19.064) 26.428 20.383 ( 5.982 2.426 4.144) 7.670 21.453 ( 11.338 3.558 0.160) 11.885 21.864 ( -4.259 2.164 -3.106) 5.698 22.002 ( 13.086 1.255 -19.849) 23.808 29.819 ( 4.190 11.741 9.445) 15.640 30.065 ( 6.518 -6.261 -1.923) 9.241 31.470 ( -3.360 -2.077 1.811) 4.345 31.558 ( 1.366 -4.857 8.260) 9.679 31.936 ( -6.206 2.512 -1.074) 6.781 33.058 ( -6.510 -4.638 -4.244) 9.050 35.680 ( -1.671 0.638 -1.924) 2.627 35.879 ( -1.782 -1.374 -3.959) 4.554 36.453 ( 3.671 0.631 3.364) 5.019 36.995 ( 2.691 2.627 5.076) 6.317 51.099 ( 2.213 -0.532 -4.506) 5.048 52.654 ( 0.661 0.562 2.821) 2.951 54.473 ( -9.397 10.299 1.454) 14.017 54.981 ( -4.060 -8.462 6.120) 11.205 55.150 ( -18.111 -4.381 -11.678) 21.990 56.488 ( 0.998 -0.676 3.333) 3.544 57.941 ( 8.269 2.348 5.091) 9.990 58.637 ( 6.380 -2.498 0.133) 6.853 60.074 ( 0.213 7.970 -13.566) 15.735 60.823 ( 3.316 -5.329 2.310) 6.688 ======================= Grid point 271 (118/355) ======================= q-point: (-0.08 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -41.840 10.079 -12.363) 44.777 3.099 ( -43.413 -9.148 24.721) 50.788 4.418 ( -46.376 -20.930 -22.806) 55.758 5.480 ( -1.486 -4.281 -21.682) 22.150 6.145 ( -8.966 -1.870 1.234) 9.242 7.486 ( -41.303 -9.448 0.450) 42.372 9.509 ( -2.611 4.232 7.022) 8.604 9.646 ( -4.840 2.612 8.958) 10.511 10.182 ( 5.266 3.483 -8.932) 10.938 10.753 ( -12.381 -19.863 -5.712) 24.092 11.480 ( 12.731 2.944 -0.576) 13.080 12.611 ( -9.688 -4.235 -7.758) 13.113 13.193 ( -3.307 5.195 -4.711) 7.754 13.904 ( 6.511 -7.953 12.558) 16.228 16.091 ( -5.169 -12.138 7.128) 14.995 17.041 ( -23.227 -6.708 -0.821) 24.191 17.512 ( 6.923 10.604 -22.851) 26.126 19.256 ( 7.151 -8.079 14.013) 17.685 20.484 ( 9.585 5.513 5.927) 12.545 21.480 ( 6.471 9.069 -10.939) 15.613 21.788 ( -2.036 -0.197 0.770) 2.186 21.983 ( 7.874 5.409 -19.453) 21.672 29.806 ( 7.597 12.213 5.635) 15.447 30.234 ( 9.071 -1.233 1.922) 9.354 31.458 ( -5.304 -3.100 3.070) 6.868 31.716 ( -0.385 -10.049 9.178) 13.615 31.784 ( -7.242 4.924 -0.519) 8.773 33.067 ( -0.555 -11.687 -4.015) 12.370 35.650 ( -0.777 -0.470 -0.430) 1.005 35.848 ( -2.110 -1.920 -2.633) 3.882 36.513 ( 2.981 1.144 2.517) 4.066 36.987 ( -0.335 7.788 3.648) 8.606 51.113 ( 1.624 -1.170 -2.144) 2.933 52.675 ( 0.413 2.209 5.375) 5.826 54.254 ( -5.985 7.720 2.129) 9.998 54.842 ( -12.819 -0.816 -9.999) 16.278 55.133 ( -5.007 -15.202 4.237) 16.557 56.562 ( 3.163 -2.033 5.904) 6.999 58.048 ( 6.637 2.935 4.130) 8.350 58.731 ( 3.943 -1.048 -3.342) 5.274 59.852 ( -1.853 9.174 -15.882) 18.434 60.947 ( 2.949 -4.765 0.711) 5.649 ======================= Grid point 282 (119/355) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -45.583 0.000 -19.866) 49.724 2.976 ( -46.535 0.000 27.845) 54.229 4.065 ( -58.299 0.000 -24.530) 63.249 5.428 ( -1.290 0.000 -21.421) 21.460 6.134 ( -6.018 0.000 2.152) 6.391 7.368 ( -49.689 0.000 -0.188) 49.690 9.634 ( -4.663 0.000 18.539) 19.117 9.649 ( -0.221 0.000 -2.169) 2.180 10.286 ( -11.989 0.000 -0.468) 11.998 10.402 ( 1.431 -0.000 -12.031) 12.116 11.519 ( 16.210 -0.000 0.580) 16.220 12.548 ( -10.402 0.000 -10.581) 14.837 13.250 ( -6.774 0.000 -6.349) 9.284 13.822 ( 7.481 -0.000 13.699) 15.609 15.918 ( -9.413 0.000 6.798) 11.611 16.964 ( -25.229 0.000 -0.569) 25.235 17.657 ( 7.169 -0.000 -27.277) 28.203 19.147 ( 8.852 -0.000 17.976) 20.037 20.549 ( 10.138 -0.000 5.060) 11.331 21.620 ( 11.793 -0.000 -9.839) 15.358 21.762 ( -6.937 0.000 -3.354) 7.705 22.061 ( 12.197 -0.000 -21.726) 24.916 30.044 ( 10.150 -0.000 -10.813) 14.831 30.156 ( 8.047 -0.000 22.994) 24.361 31.401 ( -6.448 0.000 3.653) 7.410 31.585 ( -1.027 0.000 7.595) 7.664 31.852 ( -6.786 0.000 -0.652) 6.818 32.900 ( -6.343 0.000 -3.801) 7.394 35.649 ( -1.316 0.000 -1.284) 1.839 35.819 ( -1.661 0.000 -3.294) 3.690 36.527 ( 2.968 -0.000 2.766) 4.057 37.094 ( 2.873 -0.000 5.428) 6.141 51.097 ( 2.007 -0.000 -3.738) 4.243 52.704 ( 0.833 -0.000 8.055) 8.098 54.430 ( -7.573 0.000 0.960) 7.633 54.798 ( -14.807 0.000 -6.625) 16.222 54.899 ( -5.229 0.000 3.355) 6.213 56.531 ( 1.295 -0.000 6.429) 6.559 58.087 ( 6.165 -0.000 3.247) 6.968 58.705 ( 4.859 -0.000 -0.737) 4.914 60.005 ( 0.587 -0.000 -23.601) 23.609 60.862 ( 3.731 -0.000 2.748) 4.633 ======================= Grid point 283 (120/355) ======================= q-point: (-0.08 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -46.186 7.518 -13.623) 48.737 2.467 ( -51.629 -6.494 21.832) 56.430 3.200 ( -60.954 -24.750 -10.435) 66.610 5.128 ( -17.402 -5.256 -32.636) 37.357 6.045 ( -5.795 1.979 -0.545) 6.148 6.818 ( -34.382 -9.680 11.270) 37.454 9.578 ( -2.389 4.887 2.633) 6.043 9.737 ( -2.918 3.689 27.951) 28.344 10.177 ( -4.342 -6.133 -2.176) 7.824 10.412 ( 2.774 -4.915 -10.556) 11.970 11.695 ( 10.158 5.262 -1.834) 11.586 12.319 ( -11.620 -5.948 -9.642) 16.229 13.180 ( -0.337 -0.646 -1.984) 2.114 14.055 ( 10.601 -2.741 10.259) 15.005 15.946 ( -1.405 -13.069 7.433) 15.100 16.608 ( -25.019 -3.977 -1.626) 25.385 17.493 ( 2.364 5.183 -30.384) 30.913 19.352 ( 1.863 -3.041 12.725) 13.215 20.736 ( 11.509 2.811 6.522) 13.524 21.535 ( -0.419 9.816 -17.767) 20.303 21.726 ( 3.874 -5.356 -16.145) 17.446 22.032 ( 4.246 5.391 -11.663) 13.532 30.088 ( 11.838 8.027 -4.445) 14.978 30.449 ( 10.771 4.302 18.362) 21.718 31.357 ( -6.984 -4.479 5.628) 10.026 31.635 ( -3.866 -4.882 4.609) 7.747 31.733 ( -6.760 1.495 3.731) 7.864 32.879 ( -0.842 -13.506 -3.626) 14.009 35.630 ( -0.757 -0.568 -0.269) 0.984 35.786 ( -1.326 -1.220 -2.210) 2.852 36.575 ( 1.868 0.924 1.690) 2.683 37.111 ( 0.691 8.514 1.548) 8.682 51.113 ( 1.727 -1.136 -0.864) 2.240 52.797 ( 1.769 3.626 18.886) 19.312 54.279 ( -5.131 7.393 1.448) 9.115 54.574 ( -11.179 -2.159 -7.568) 13.671 54.945 ( -3.423 -12.343 4.619) 13.616 56.643 ( 4.101 -3.212 12.645) 13.676 58.175 ( 4.294 1.326 2.525) 5.155 58.753 ( 3.235 0.215 -4.454) 5.509 59.743 ( -4.222 6.387 -33.813) 34.669 60.951 ( 3.167 -3.055 1.021) 4.518 ======================= Grid point 295 (121/355) ======================= q-point: (-0.08 -0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -45.833 0.000 -5.199) 46.127 1.705 ( -56.455 0.000 1.725) 56.481 2.169 ( -63.728 0.000 37.572) 73.979 4.469 ( -31.494 0.000 -26.096) 40.900 5.981 ( -3.398 0.000 -3.769) 5.075 6.477 ( -17.516 0.000 13.882) 22.350 9.569 ( -4.036 0.000 2.149) 4.572 9.903 ( -6.186 0.000 7.422) 9.662 10.224 ( 11.639 -0.000 46.187) 47.631 10.467 ( 12.646 -0.000 -11.246) 16.923 11.847 ( 5.993 -0.000 -2.569) 6.521 12.040 ( -10.042 0.000 -7.956) 12.812 13.132 ( -1.715 0.000 -2.218) 2.804 14.277 ( 12.703 -0.000 9.551) 15.893 15.853 ( -1.951 0.000 4.562) 4.962 16.217 ( -23.062 0.000 -3.685) 23.354 17.307 ( -4.166 0.000 -16.357) 16.879 19.407 ( -2.063 0.000 8.722) 8.963 20.962 ( 9.926 -0.000 6.916) 12.097 21.458 ( 1.704 -0.000 -56.851) 56.876 21.502 ( -6.735 0.000 -3.685) 7.677 22.051 ( -0.650 0.000 -0.735) 0.981 30.273 ( 14.949 -0.000 -9.689) 17.815 30.917 ( 19.347 -0.000 29.541) 35.312 31.214 ( -11.095 0.000 6.477) 12.847 31.565 ( -5.169 0.000 0.495) 5.193 31.687 ( -5.610 0.000 10.080) 11.536 32.708 ( -3.020 0.000 -3.804) 4.857 35.616 ( -0.550 0.000 0.332) 0.642 35.753 ( -0.462 0.000 -1.415) 1.489 36.612 ( 1.002 -0.000 0.735) 1.242 37.157 ( -1.124 0.000 -16.070) 16.110 51.132 ( 1.582 -0.000 2.146) 2.666 53.182 ( 17.149 -0.000 55.705) 58.285 54.268 ( -3.868 0.000 -0.674) 3.926 54.388 ( -6.567 0.000 -4.613) 8.026 54.823 ( -4.405 0.000 4.438) 6.253 56.837 ( 10.133 -0.000 28.536) 30.282 58.249 ( 2.615 -0.000 2.149) 3.385 58.738 ( 0.591 -0.000 -18.588) 18.598 59.312 ( -19.573 0.000 -55.714) 59.052 60.979 ( 2.248 -0.000 0.328) 2.272 ======================= Grid point 296 (122/355) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 12.862 -0.000 39.821) 41.847 2.041 ( -0.929 0.000 44.249) 44.258 3.608 ( -5.634 0.000 84.411) 84.599 4.759 ( 33.677 -0.000 22.249) 40.363 5.653 ( -0.620 0.000 -14.260) 14.273 6.515 ( -12.026 0.000 20.053) 23.382 9.595 ( -8.253 0.000 -7.736) 11.312 9.633 ( -0.463 0.000 0.264) 0.533 10.294 ( -17.253 0.000 6.821) 18.552 10.332 ( 11.074 -0.000 -14.062) 17.899 11.963 ( 10.744 -0.000 3.648) 11.346 12.148 ( -5.328 0.000 0.692) 5.373 13.027 ( 2.186 -0.000 -3.167) 3.848 14.171 ( -21.002 0.000 -18.544) 28.017 15.803 ( 17.786 -0.000 0.239) 17.787 15.900 ( -4.654 0.000 2.424) 5.247 19.339 ( -10.790 0.000 0.700) 10.813 19.785 ( -6.078 0.000 -3.792) 7.164 21.028 ( -12.496 0.000 -1.182) 12.552 21.569 ( 7.333 -0.000 6.056) 9.510 21.579 ( 79.880 -0.000 -8.287) 80.308 21.979 ( -2.684 0.000 -1.383) 3.019 30.524 ( 17.598 -0.000 -3.290) 17.902 30.891 ( -35.418 0.000 -6.261) 35.967 31.081 ( -13.007 0.000 5.918) 14.290 31.360 ( 3.549 -0.000 -2.233) 4.193 31.710 ( -8.552 0.000 6.282) 10.611 32.511 ( 3.373 -0.000 -7.325) 8.064 35.654 ( -4.427 0.000 2.413) 5.042 35.776 ( 2.671 -0.000 0.855) 2.804 36.049 ( 4.567 -0.000 3.509) 5.760 36.541 ( -1.979 0.000 -3.888) 4.362 51.571 ( 2.027 -0.000 19.483) 19.588 53.836 ( -7.065 0.000 -16.207) 17.680 54.296 ( 5.482 -0.000 0.865) 5.550 54.873 ( -3.333 0.000 5.289) 6.252 54.878 ( -56.600 0.000 0.235) 56.600 55.575 ( 19.013 -0.000 -11.839) 22.397 58.372 ( -2.856 0.000 4.319) 5.178 58.844 ( 6.724 -0.000 -0.611) 6.752 59.963 ( 43.008 -0.000 7.866) 43.721 60.895 ( -2.148 0.000 -5.696) 6.087 ======================= Grid point 297 (123/355) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 15.201 -6.851 35.580) 39.293 2.591 ( 21.368 -23.034 38.569) 49.746 4.204 ( 8.749 -1.628 75.506) 76.029 5.371 ( 20.357 -1.742 -3.107) 20.666 5.628 ( 9.888 -10.249 -14.396) 20.250 6.655 ( 3.731 -7.466 37.003) 37.932 9.411 ( -9.148 -0.212 -8.268) 12.333 9.672 ( 2.517 -5.937 -4.483) 7.853 10.141 ( -6.118 4.135 8.397) 11.182 10.399 ( 7.138 -0.917 -5.766) 9.221 11.939 ( -0.935 11.366 2.279) 11.629 12.282 ( 7.633 -9.254 2.137) 12.185 13.065 ( 4.755 -0.745 -1.434) 5.022 13.778 ( -17.246 -4.364 -19.651) 26.507 15.847 ( -0.610 -2.421 1.507) 2.916 16.158 ( 14.709 -11.080 -0.894) 18.437 19.177 ( -12.813 -1.049 -0.131) 12.856 19.605 ( -13.199 2.836 6.019) 14.781 20.785 ( -14.389 4.874 -3.784) 15.656 21.634 ( 10.032 12.435 4.405) 16.573 21.807 ( -6.934 2.108 -2.571) 7.690 22.340 ( 38.110 11.111 -20.712) 44.775 30.300 ( -31.451 5.164 2.652) 31.982 30.758 ( 12.231 -1.326 -2.376) 12.530 30.935 ( -9.714 1.046 5.035) 10.991 31.424 ( 7.367 1.645 -1.251) 7.651 31.702 ( -4.460 -5.861 6.022) 9.514 32.625 ( 4.635 -14.713 -9.750) 18.249 35.634 ( -1.104 -1.028 1.388) 2.050 35.821 ( 3.691 1.921 1.939) 4.591 36.226 ( 12.327 -2.202 0.925) 12.557 36.477 ( -2.393 0.176 -4.958) 5.508 51.716 ( -0.665 2.364 21.630) 21.769 53.354 ( -19.471 20.831 -7.828) 29.569 54.301 ( -16.138 -1.957 5.197) 17.066 54.523 ( 4.491 -12.660 3.706) 13.935 54.928 ( -3.543 -7.456 3.192) 8.851 55.836 ( 15.334 -8.398 -13.906) 22.339 58.319 ( -6.308 1.990 2.975) 7.253 58.879 ( 0.212 0.004 -0.042) 0.216 60.388 ( 20.362 10.816 0.523) 23.062 60.808 ( -1.793 0.003 -7.556) 7.766 ======================= Grid point 298 (124/355) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 12.543 -3.700 27.678) 30.612 3.493 ( 18.872 -20.981 41.975) 50.580 4.948 ( 20.137 -14.200 50.535) 56.222 5.434 ( 8.068 0.474 -13.388) 15.638 5.771 ( 0.537 -8.813 -13.595) 16.211 7.312 ( 23.908 -15.640 34.489) 44.784 9.233 ( -6.161 0.262 -9.692) 11.487 9.758 ( 2.511 -5.299 -2.542) 6.391 10.107 ( 1.165 2.497 0.359) 2.779 10.526 ( 8.930 -5.546 0.396) 10.519 11.789 ( -7.722 4.304 -0.104) 8.841 12.485 ( 10.970 1.497 -0.192) 11.073 13.206 ( 10.553 -2.055 6.785) 12.713 13.511 ( -12.062 -8.900 -15.560) 21.606 15.920 ( -2.535 -13.131 -1.668) 13.477 16.489 ( 15.817 -7.941 -2.536) 17.880 18.977 ( -16.288 0.747 3.446) 16.666 19.470 ( -11.539 -1.001 11.739) 16.491 20.445 ( -14.329 10.098 -6.761) 18.788 21.568 ( -2.562 8.506 -4.798) 10.096 21.710 ( 3.434 8.464 3.180) 9.672 22.404 ( 14.297 15.117 -14.967) 25.631 29.884 ( -23.192 1.313 0.980) 23.250 30.673 ( -11.015 5.031 1.055) 12.155 31.060 ( 13.383 -2.560 1.900) 13.757 31.509 ( 6.933 0.712 -0.760) 7.011 31.779 ( -1.600 -6.258 6.493) 9.158 32.810 ( 5.164 -15.145 -10.462) 19.118 35.655 ( 0.621 -1.413 0.785) 1.731 35.868 ( 4.837 3.229 2.689) 6.407 36.367 ( 0.618 0.907 -4.578) 4.708 36.458 ( 7.356 -2.952 -1.839) 8.136 51.773 ( -4.639 6.924 20.745) 22.356 52.880 ( -11.625 11.809 -4.681) 17.219 54.199 ( -7.891 -4.091 2.934) 9.360 54.848 ( 4.698 -19.863 1.017) 20.437 55.015 ( 7.397 -0.784 7.967) 10.900 56.015 ( 9.550 -7.553 -13.054) 17.851 58.176 ( -10.210 3.867 0.241) 10.920 58.866 ( -1.639 -0.405 -1.170) 2.054 60.356 ( 0.093 15.786 0.843) 15.808 60.802 ( 4.943 -2.180 -5.769) 7.903 ======================= Grid point 299 (125/355) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 10.201 -2.085 18.405) 21.146 4.136 ( 4.443 -7.304 47.460) 48.224 5.444 ( 2.453 -8.903 -13.626) 16.460 5.739 ( 0.308 -9.417 -16.090) 18.646 5.826 ( 26.356 -14.318 32.364) 44.126 7.990 ( 17.585 -13.122 17.354) 27.974 9.109 ( 0.242 -0.238 -11.564) 11.569 9.828 ( 1.711 -0.814 3.683) 4.142 10.085 ( 2.974 4.098 -4.916) 7.057 10.794 ( 11.825 -12.441 -2.293) 17.317 11.614 ( -10.458 1.458 -1.141) 10.621 12.568 ( 7.468 3.171 -3.273) 8.748 13.225 ( -12.043 -3.891 -7.078) 14.500 13.715 ( 22.565 -9.561 14.518) 28.484 16.045 ( -3.427 -18.636 -6.141) 19.919 16.744 ( 13.126 -1.821 -3.974) 13.835 18.756 ( -17.761 1.243 10.332) 20.586 19.452 ( -8.940 -6.501 12.079) 16.373 20.058 ( -10.540 13.878 -8.821) 19.532 21.364 ( -7.837 4.675 -7.210) 11.630 21.687 ( 7.448 11.894 1.019) 14.070 22.281 ( 4.326 12.276 -9.543) 16.140 29.582 ( -17.521 0.027 -0.372) 17.525 30.456 ( -9.609 6.090 0.371) 11.382 31.294 ( 11.799 -2.786 1.917) 12.274 31.594 ( 4.391 -1.600 -0.412) 4.692 31.881 ( 0.504 -3.690 7.545) 8.414 32.982 ( 5.570 -12.174 -9.812) 16.598 35.691 ( 1.384 -1.046 0.922) 1.965 35.923 ( 5.516 3.574 2.792) 7.141 36.292 ( -2.491 0.826 -4.797) 5.468 36.602 ( 7.146 -2.609 -1.495) 7.753 51.705 ( -7.201 10.583 15.925) 20.431 52.648 ( -4.654 3.543 -4.345) 7.286 54.183 ( -3.591 -3.341 2.573) 5.539 54.984 ( -4.569 -12.239 -4.274) 13.745 55.397 ( 19.839 -7.537 13.970) 25.408 56.132 ( 6.487 -6.495 -9.722) 13.371 57.934 ( -13.216 5.728 -3.103) 14.734 58.825 ( -2.767 -0.546 -2.792) 3.968 60.139 ( -4.036 13.768 0.465) 14.355 60.876 ( 4.627 -2.600 -2.859) 6.028 ======================= Grid point 300 (126/355) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 6.011 1.167 10.823) 12.435 4.516 ( -3.346 -2.545 46.502) 46.691 5.436 ( -4.674 -8.313 -14.315) 17.201 5.732 ( 1.766 -1.407 -5.626) 6.062 6.531 ( 19.207 -18.101 6.849) 27.266 8.358 ( 5.165 -7.083 8.161) 11.977 9.108 ( 9.164 -2.574 -13.577) 16.582 9.888 ( 3.285 3.681 7.829) 9.254 10.041 ( 3.400 2.756 -6.901) 8.172 11.044 ( 5.899 -8.373 -6.873) 12.334 11.474 ( -4.778 -0.464 0.667) 4.847 12.617 ( 3.446 -2.492 -3.567) 5.551 13.034 ( -14.282 -5.771 -6.500) 16.719 14.323 ( 26.546 -5.117 21.215) 34.365 16.160 ( -2.879 -18.715 -11.584) 22.198 16.842 ( 6.576 5.549 -2.328) 8.914 18.591 ( -16.507 -0.434 15.065) 22.352 19.510 ( -6.176 -7.925 8.417) 13.107 19.731 ( -3.304 12.066 -6.089) 13.913 21.147 ( -8.359 2.526 -7.221) 11.331 21.658 ( 7.863 10.535 -2.677) 13.416 22.129 ( 0.117 8.948 -6.123) 10.843 29.368 ( -12.328 -1.154 0.111) 12.382 30.266 ( -6.391 5.432 -0.884) 8.434 31.485 ( 7.910 -2.560 1.738) 8.494 31.666 ( 1.957 -2.819 -0.070) 3.433 31.981 ( 1.819 -0.621 8.592) 8.805 33.121 ( 5.549 -8.365 -9.177) 13.601 35.728 ( 1.634 0.174 1.510) 2.232 35.978 ( 4.946 3.092 1.883) 6.130 36.228 ( -1.764 -0.358 -2.845) 3.367 36.699 ( 4.152 -1.808 -1.837) 4.887 51.558 ( -6.909 10.679 10.083) 16.231 52.561 ( -1.946 -0.308 -3.349) 3.886 54.197 ( -1.816 -2.248 2.444) 3.785 55.018 ( -3.391 -8.614 -4.628) 10.350 55.829 ( 14.476 -6.282 7.132) 17.317 56.252 ( 6.327 -5.943 -1.584) 8.824 57.643 ( -11.846 5.792 -3.929) 13.759 58.762 ( -3.572 -1.000 -4.557) 5.876 59.949 ( -2.893 10.121 1.403) 10.620 60.949 ( 2.907 -2.653 -1.605) 4.251 ======================= Grid point 301 (127/355) ======================= q-point: ( 0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 2.194 4.726 6.691) 8.481 4.770 ( -9.613 -1.077 47.597) 48.569 5.309 ( -8.540 -4.077 -15.205) 17.909 5.701 ( -0.870 -0.642 -11.204) 11.256 6.862 ( 4.202 -8.279 -5.930) 11.016 8.478 ( -1.840 -1.858 7.378) 7.827 9.210 ( 11.175 -4.268 -15.370) 19.476 9.896 ( 3.493 10.918 3.552) 12.001 10.090 ( 5.847 -4.751 -1.052) 7.607 11.025 ( -3.545 3.394 -4.541) 6.687 11.530 ( 5.136 -4.394 -0.943) 6.825 12.677 ( -1.418 -9.015 -3.551) 9.792 12.880 ( -10.679 -6.349 -4.684) 13.277 14.748 ( 11.144 5.200 11.559) 16.877 16.293 ( 5.362 -15.730 -8.454) 18.646 16.804 ( 0.048 7.197 2.074) 7.490 18.449 ( -16.538 2.686 13.487) 21.508 19.486 ( 6.301 10.473 -2.846) 12.549 19.704 ( -4.290 -11.628 6.939) 14.204 20.984 ( -5.471 -0.736 -5.580) 7.850 21.631 ( 7.088 7.371 -6.146) 11.931 21.994 ( -1.510 5.841 -3.918) 7.194 29.259 ( -6.647 -3.136 1.557) 7.513 30.134 ( -2.479 3.955 -2.127) 5.130 31.604 ( 1.831 -3.410 1.452) 4.134 31.716 ( 1.140 -1.445 0.206) 1.852 32.066 ( 2.553 2.120 9.287) 9.862 33.213 ( 5.302 -4.192 -8.896) 11.172 35.752 ( 1.474 1.804 2.080) 3.123 36.003 ( 1.485 2.102 -0.248) 2.586 36.229 ( 1.607 -1.858 0.550) 2.517 36.744 ( 1.457 -1.444 -2.440) 3.188 51.407 ( -5.249 8.678 6.143) 11.857 52.533 ( -1.084 -1.846 -2.831) 3.549 54.210 ( -1.458 -1.120 2.160) 2.836 55.026 ( -3.071 -6.130 -5.245) 8.632 56.011 ( 3.596 -0.890 -3.336) 4.985 56.407 ( 3.787 -1.968 3.236) 5.356 57.485 ( -0.888 0.336 2.553) 2.724 58.685 ( -4.033 -1.912 -6.361) 7.771 59.837 ( -1.026 6.519 2.753) 7.150 60.998 ( 1.363 -1.921 -1.288) 2.685 ======================= Grid point 302 (128/355) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -2.139 9.718 4.397) 10.879 4.865 ( -27.187 4.753 51.041) 58.025 5.109 ( -3.048 -0.568 -16.451) 16.740 5.562 ( -3.568 -2.052 -21.969) 22.351 6.810 ( -6.889 2.442 -9.161) 11.720 8.465 ( -6.941 2.702 7.932) 10.881 9.304 ( 8.915 -5.474 -15.580) 18.766 9.818 ( 3.062 11.621 0.857) 12.048 10.203 ( -2.151 -2.528 4.358) 5.478 10.922 ( 3.160 3.912 -4.332) 6.638 11.620 ( 2.865 -0.430 -2.363) 3.739 12.733 ( -4.740 -11.028 -3.086) 12.394 12.818 ( -4.437 -6.717 -3.399) 8.738 14.679 ( -3.704 15.055 -1.928) 15.623 16.585 ( 11.124 -11.226 4.160) 16.343 16.719 ( -2.852 5.050 2.056) 6.154 18.199 ( -17.813 9.722 7.918) 21.784 19.501 ( 10.826 8.641 1.723) 13.958 19.860 ( -1.119 -13.931 5.140) 14.891 20.944 ( -0.136 -4.796 -3.992) 6.242 21.603 ( 5.217 3.658 -8.382) 10.529 21.895 ( -1.932 2.810 -2.711) 4.357 29.274 ( -0.646 -5.599 2.917) 6.347 30.072 ( 1.568 2.116 -2.988) 3.983 31.647 ( -3.583 -4.672 1.485) 6.073 31.729 ( -0.238 0.875 0.245) 0.939 32.133 ( 2.859 4.457 9.785) 11.125 33.252 ( 5.250 0.219 -8.960) 10.387 35.757 ( 1.134 3.066 2.362) 4.033 35.976 ( -1.428 1.216 -0.868) 2.067 36.313 ( 3.955 -2.735 2.089) 5.243 36.749 ( -0.792 -2.260 -3.078) 3.900 51.291 ( -3.309 6.229 4.281) 8.251 52.531 ( -0.542 -2.946 -2.251) 3.747 54.211 ( -1.355 -0.301 2.108) 2.523 54.992 ( -4.122 -3.336 -6.234) 8.184 55.937 ( -5.131 6.300 -3.749) 8.948 56.449 ( 2.247 -0.463 -0.972) 2.491 57.634 ( 8.881 -4.453 8.824) 13.288 58.605 ( -3.981 -3.152 -8.035) 9.505 59.790 ( -0.144 4.091 3.352) 5.291 61.017 ( 0.326 -0.798 -1.300) 1.559 ======================= Grid point 303 (129/355) ======================= q-point: (-0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -8.125 16.955 2.508) 18.968 4.497 ( -37.007 12.116 18.221) 42.992 5.030 ( -8.790 3.118 10.281) 13.881 5.379 ( -4.120 -1.157 -19.974) 20.427 6.535 ( -11.754 9.368 -6.156) 16.243 8.293 ( -15.105 9.129 7.316) 19.106 9.403 ( 8.163 -8.045 -13.658) 17.830 9.735 ( 3.303 11.210 1.877) 11.836 10.127 ( -11.255 1.133 6.463) 13.028 10.976 ( 8.382 -1.133 -7.004) 10.982 11.560 ( -3.560 6.372 -2.931) 7.865 12.731 ( -6.204 -4.596 -2.915) 8.253 12.862 ( 0.885 -7.887 -2.568) 8.342 14.416 ( -1.435 15.205 -2.599) 15.492 16.605 ( -3.941 7.166 5.736) 9.989 16.892 ( 7.048 -8.622 3.556) 11.690 17.823 ( -18.630 14.411 3.928) 23.879 19.569 ( 6.120 5.478 4.072) 9.168 20.096 ( 7.802 -12.020 5.052) 15.194 21.001 ( 3.402 -4.812 -7.299) 9.381 21.592 ( 2.985 -1.951 -8.112) 8.861 21.826 ( -2.302 0.835 -2.045) 3.190 29.407 ( 4.949 -7.509 3.161) 9.533 30.089 ( 5.210 -0.179 -2.922) 5.976 31.632 ( -6.057 -2.591 1.679) 6.799 31.697 ( -3.702 -0.785 0.413) 3.807 32.176 ( 2.470 6.640 10.333) 12.529 33.240 ( 5.964 4.707 -9.352) 12.049 35.747 ( 0.817 3.674 2.408) 4.468 35.927 ( -2.410 1.348 -0.586) 2.823 36.418 ( 3.619 -2.769 1.362) 4.756 36.743 ( -2.471 -4.859 -3.342) 6.394 51.223 ( -1.480 4.099 4.036) 5.940 52.562 ( 0.178 -4.690 -0.454) 4.715 54.212 ( -0.770 0.110 2.550) 2.666 54.891 ( -6.028 0.181 -6.840) 9.119 55.713 ( -7.625 10.203 -1.297) 12.804 56.518 ( 5.760 -2.127 -0.230) 6.144 57.885 ( 9.058 -3.864 8.043) 12.715 58.533 ( -3.665 -4.559 -10.035) 11.616 59.760 ( -1.114 3.704 2.292) 4.496 61.013 ( 0.015 0.095 -1.241) 1.245 ======================= Grid point 304 (130/355) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -13.075 24.313 3.374) 27.811 3.833 ( -41.196 15.726 7.200) 44.679 4.814 ( -28.006 13.349 25.614) 40.232 5.174 ( -0.269 7.044 -18.634) 19.922 6.216 ( -11.956 7.637 -3.120) 14.526 7.906 ( -23.766 15.798 8.409) 29.751 9.562 ( 8.692 -10.840 -8.588) 16.335 9.685 ( 4.595 8.572 2.419) 10.022 10.027 ( -7.575 -1.698 6.559) 10.163 10.944 ( -4.000 7.719 -11.097) 14.097 11.418 ( -2.637 0.971 -0.321) 2.828 12.624 ( -4.279 5.278 -2.358) 7.192 12.978 ( 3.986 -7.287 -2.155) 8.581 14.288 ( 5.103 10.046 1.086) 11.320 16.509 ( -2.725 6.338 3.083) 7.556 17.009 ( -1.143 2.930 -0.539) 3.191 17.429 ( -15.042 10.597 8.907) 20.442 19.604 ( 1.188 2.661 5.087) 5.862 20.427 ( 13.641 -9.041 6.431) 17.583 21.004 ( 3.451 -0.212 -16.340) 16.702 21.609 ( -1.462 -5.913 -8.471) 10.434 21.800 ( -0.408 -2.258 1.595) 2.795 29.624 ( 9.629 -7.474 1.166) 12.245 30.193 ( 7.638 -3.954 -0.897) 8.647 31.560 ( -7.319 -0.165 2.209) 7.646 31.652 ( -6.967 -3.925 0.460) 8.010 32.185 ( 0.943 8.688 10.735) 13.842 33.191 ( 8.184 9.293 -10.096) 15.977 35.728 ( 0.484 3.751 2.259) 4.405 35.868 ( -2.219 2.160 -0.277) 3.109 36.487 ( 0.923 -2.754 -1.064) 3.093 36.753 ( -3.361 -7.902 -3.672) 9.339 51.205 ( 0.090 2.633 5.001) 5.653 52.657 ( 1.305 -8.401 3.768) 9.300 54.226 ( 0.303 0.272 3.211) 3.237 54.729 ( -6.356 4.000 -5.122) 9.090 55.482 ( -6.471 10.364 0.386) 12.224 56.666 ( 9.501 -2.560 3.123) 10.324 58.083 ( 6.336 -2.231 5.896) 8.938 58.457 ( -4.290 -5.677 -14.129) 15.820 59.679 ( -3.837 5.757 0.023) 6.919 61.002 ( 0.216 0.475 -1.169) 1.280 ======================= Grid point 305 (131/355) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -14.878 29.012 10.108) 34.135 3.081 ( -39.248 19.375 10.374) 44.982 4.241 ( -46.005 25.836 40.267) 66.373 4.917 ( -1.438 16.813 -15.149) 22.677 5.985 ( -9.554 1.298 -2.340) 9.921 7.401 ( -25.357 17.794 12.022) 33.228 9.661 ( 0.315 3.389 6.673) 7.491 9.829 ( 17.772 -9.697 -14.409) 24.850 10.055 ( -5.113 -8.702 12.027) 15.701 10.566 ( -12.408 17.152 -9.743) 23.304 11.458 ( -1.626 -9.642 -0.392) 9.786 12.482 ( 0.702 12.193 0.789) 12.238 13.093 ( 4.378 -4.133 -3.917) 7.183 14.320 ( 8.965 5.984 5.177) 11.957 16.358 ( -11.158 2.982 -9.849) 15.179 16.724 ( -4.207 23.808 -5.198) 24.729 17.426 ( 1.305 -1.774 29.475) 29.557 19.612 ( -2.218 1.228 5.626) 6.171 20.737 ( 7.539 -4.302 0.571) 8.699 20.916 ( 8.017 1.491 -17.246) 19.077 21.545 ( -5.742 -3.262 -7.848) 10.257 21.893 ( 1.176 -6.967 3.164) 7.741 29.862 ( 13.499 -4.614 -3.063) 14.591 30.400 ( 7.562 -10.714 3.239) 13.508 31.471 ( -8.457 -1.813 3.029) 9.164 31.586 ( -8.585 -3.693 -0.201) 9.348 32.141 ( -1.797 9.924 10.355) 14.455 33.121 ( 12.021 14.710 -11.661) 22.291 35.703 ( -0.082 3.310 1.906) 3.820 35.814 ( -0.837 2.964 0.377) 3.103 36.497 ( -3.705 -5.308 -4.128) 7.678 36.758 ( -4.797 -7.231 -6.299) 10.723 51.230 ( 1.311 1.859 7.013) 7.372 52.882 ( 3.309 -16.808 10.342) 20.011 54.257 ( 1.164 0.274 3.241) 3.454 54.568 ( -2.753 7.399 -0.025) 7.895 55.282 ( -5.016 9.604 0.582) 10.851 56.913 ( 15.132 -2.891 7.790) 17.263 58.194 ( -0.815 -1.878 0.175) 2.055 58.326 ( -4.407 -3.921 -18.369) 19.293 59.508 ( -6.562 9.680 0.286) 11.698 60.991 ( 0.278 0.507 -1.549) 1.653 ======================= Grid point 306 (132/355) ======================= q-point: (-0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -11.396 28.578 23.717) 38.847 2.408 ( -31.150 26.532 23.934) 47.404 3.562 ( -47.400 21.219 55.303) 75.864 4.548 ( -5.083 24.247 2.001) 24.854 5.860 ( -4.672 -1.005 -5.703) 7.440 6.952 ( -21.431 14.093 13.964) 29.204 9.668 ( -0.621 2.594 5.865) 6.443 10.035 ( 9.338 1.717 -13.684) 16.655 10.152 ( -2.260 8.409 -14.510) 16.922 10.289 ( -4.470 -22.234 14.483) 26.909 11.563 ( -2.552 -13.541 0.305) 13.783 12.371 ( 3.795 15.237 4.274) 16.274 13.126 ( 2.595 1.156 -7.324) 7.856 14.476 ( 10.231 1.165 8.990) 13.670 15.937 ( -21.082 4.254 -20.209) 29.512 16.387 ( 1.482 26.226 -4.030) 26.575 17.971 ( 31.811 -7.429 54.019) 63.128 19.578 ( -5.699 1.269 4.947) 7.652 20.624 ( -1.385 2.924 -22.658) 22.887 21.094 ( 9.745 -1.523 5.419) 11.254 21.449 ( -3.287 -1.212 -5.281) 6.338 21.999 ( -0.997 -6.407 2.057) 6.803 30.083 ( 16.328 -1.255 -5.888) 17.403 30.698 ( 3.730 -19.024 5.403) 20.125 31.404 ( -8.481 -4.256 2.657) 9.854 31.488 ( -8.747 -2.250 -1.270) 9.120 32.040 ( -5.434 9.099 8.573) 13.631 33.006 ( 13.906 22.368 -15.723) 30.674 35.679 ( -0.391 2.073 1.975) 2.890 35.782 ( 0.892 3.531 1.149) 3.819 36.424 ( -13.690 -9.329 -10.485) 19.606 36.679 ( -4.958 -0.558 -6.836) 8.463 51.297 ( 2.146 1.267 10.480) 10.772 53.317 ( 4.957 -32.299 10.484) 34.318 54.283 ( 0.247 0.248 0.758) 0.835 54.521 ( 6.453 8.166 10.579) 14.841 55.124 ( -1.302 8.970 0.535) 9.080 57.213 ( 6.453 -1.192 -8.584) 10.805 57.951 ( -7.037 0.239 -12.942) 14.733 58.337 ( 4.469 0.624 2.514) 5.165 59.311 ( -4.637 11.427 8.435) 14.941 60.974 ( -0.130 0.257 -2.526) 2.542 ======================= Grid point 307 (133/355) ======================= q-point: (-0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -4.249 31.135 31.935) 44.803 1.954 ( -19.816 16.377 42.557) 49.719 3.291 ( -28.345 4.161 75.146) 80.422 4.376 ( 11.096 19.197 20.885) 30.461 5.764 ( -2.250 -0.127 -10.357) 10.600 6.647 ( -16.708 6.882 15.129) 23.567 9.656 ( -1.682 2.356 3.914) 4.868 9.792 ( -8.369 6.681 -5.735) 12.147 10.228 ( 13.986 -3.627 -17.498) 22.693 10.463 ( -12.983 -13.889 -0.119) 19.013 11.735 ( 2.140 -14.794 1.922) 15.071 12.269 ( 1.820 14.167 3.292) 14.658 13.060 ( 0.402 3.363 -5.866) 6.773 14.543 ( -9.944 0.133 -6.183) 11.710 15.610 ( 1.168 -0.660 -7.207) 7.330 16.080 ( -1.634 20.162 -0.400) 20.232 19.299 ( 62.219 -20.583 37.808) 75.659 19.483 ( -8.479 1.213 3.208) 9.147 20.527 ( 19.815 -0.147 -5.998) 20.704 21.165 ( -7.013 -1.995 2.123) 7.594 21.463 ( 9.509 4.444 1.646) 10.625 22.031 ( -3.988 -3.373 0.468) 5.244 30.296 ( 17.632 0.148 -5.395) 18.440 30.979 ( -6.533 -23.041 2.773) 24.110 31.326 ( -8.889 0.365 -1.427) 9.010 31.389 ( -6.923 -3.540 -2.643) 8.212 31.880 ( -10.858 6.395 5.295) 13.669 32.726 ( 4.799 26.856 -16.360) 31.811 35.678 ( -0.512 0.168 3.021) 3.069 35.764 ( 0.900 3.055 0.745) 3.271 36.152 ( -18.881 -2.881 -7.385) 20.478 36.594 ( -1.698 0.883 -3.088) 3.633 51.412 ( 2.641 0.226 15.317) 15.545 53.780 ( -1.141 -30.665 -8.148) 31.750 54.274 ( 1.508 2.538 -0.660) 3.025 54.734 ( 3.138 -10.991 14.119) 18.166 55.090 ( 13.279 7.841 1.249) 15.472 56.398 ( -53.295 25.407 -39.867) 71.241 58.312 ( 8.355 -7.360 7.911) 13.659 58.513 ( 31.522 -1.302 7.142) 32.347 59.329 ( 14.427 5.411 21.567) 26.506 60.945 ( -0.868 -0.293 -3.883) 3.989 ======================= Grid point 309 (134/355) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 35.818 -0.000 32.694) 48.496 2.966 ( 23.165 -0.000 34.504) 41.559 4.771 ( 5.258 -0.000 55.471) 55.719 5.551 ( 7.251 -0.000 -18.283) 19.669 5.566 ( 10.166 -0.000 -5.878) 11.743 7.117 ( 26.231 -0.000 37.426) 45.704 9.255 ( -2.932 0.000 -12.174) 12.522 9.644 ( 4.189 -0.000 -5.901) 7.237 10.155 ( -3.009 0.000 8.539) 9.054 10.471 ( 6.942 -0.000 -0.682) 6.976 11.840 ( -12.920 0.000 -3.305) 13.336 12.507 ( 16.305 -0.000 4.777) 16.990 13.180 ( 12.227 -0.000 4.838) 13.149 13.407 ( -12.058 0.000 -17.432) 21.196 15.745 ( -5.424 0.000 -2.567) 6.001 16.387 ( 20.474 -0.000 0.120) 20.474 18.971 ( -14.147 0.000 -1.090) 14.189 19.464 ( -14.979 0.000 11.346) 18.791 20.568 ( -14.580 0.000 -5.968) 15.754 21.656 ( -10.048 0.000 -5.205) 11.316 21.828 ( 4.523 -0.000 5.694) 7.272 22.647 ( 15.913 -0.000 -24.233) 28.991 29.905 ( -25.735 0.000 1.224) 25.764 30.732 ( -10.722 0.000 3.171) 11.181 31.027 ( 12.465 -0.000 3.131) 12.852 31.494 ( 1.051 -0.000 -0.493) 1.161 31.719 ( 5.180 -0.000 5.634) 7.654 32.597 ( 8.767 -0.000 -5.938) 10.589 35.637 ( 1.074 -0.000 0.831) 1.358 35.913 ( 4.723 -0.000 3.085) 5.641 36.392 ( 11.756 -0.000 -1.731) 11.883 36.403 ( -2.553 0.000 -5.909) 6.437 51.858 ( -3.859 0.000 23.055) 23.375 53.075 ( -23.047 0.000 -6.674) 23.994 54.161 ( -2.917 0.000 1.435) 3.251 54.539 ( 4.671 -0.000 1.760) 4.992 55.012 ( 10.373 -0.000 10.143) 14.507 55.916 ( 12.612 -0.000 -12.681) 17.884 58.225 ( -9.890 0.000 0.494) 9.903 58.850 ( -3.269 0.000 -0.222) 3.276 60.655 ( 7.511 -0.000 -0.752) 7.548 60.693 ( -3.836 0.000 -9.240) 10.005 ======================= Grid point 310 (135/355) ======================= q-point: ( 0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 30.569 23.536 25.310) 46.141 3.846 ( 23.118 -19.088 38.593) 48.869 5.116 ( 4.697 -12.765 6.038) 14.882 5.460 ( 0.571 -3.738 -19.333) 19.699 5.813 ( 12.782 1.203 22.935) 26.284 7.771 ( 27.537 -4.844 19.584) 34.137 9.151 ( 3.793 2.547 -14.246) 14.960 9.711 ( 4.514 -5.940 -4.968) 8.964 10.174 ( 1.115 2.724 4.865) 5.686 10.608 ( 8.409 -3.443 2.792) 9.506 11.622 ( -13.060 -0.209 -2.774) 13.353 12.641 ( 2.926 2.116 -3.339) 4.918 13.163 ( -9.177 -1.279 -12.363) 15.450 13.578 ( 28.964 -2.452 17.925) 34.150 15.700 ( -3.393 -8.401 -6.068) 10.905 16.694 ( 19.921 -1.566 -2.004) 20.083 18.744 ( -17.186 -0.911 0.555) 17.219 19.355 ( -13.847 -1.904 15.730) 21.043 20.288 ( -12.144 5.016 -8.277) 15.529 21.443 ( -11.371 1.777 -7.041) 13.492 21.893 ( 3.630 4.421 4.114) 7.046 22.568 ( 3.402 8.657 -17.106) 19.471 29.586 ( -17.890 0.174 -1.109) 17.926 30.576 ( -10.689 3.052 3.066) 11.531 31.240 ( 11.572 -1.291 3.561) 12.176 31.497 ( -2.564 -3.811 0.395) 4.610 31.862 ( 8.023 0.516 5.547) 9.767 32.741 ( 9.913 -6.306 -5.991) 13.188 35.672 ( 2.415 -0.449 0.774) 2.575 35.999 ( 5.212 2.081 4.098) 6.949 36.316 ( -2.523 0.899 -6.229) 6.780 36.539 ( 8.292 -2.033 -2.494) 8.894 51.903 ( -7.849 4.836 21.521) 23.412 52.731 ( -13.400 2.559 -7.000) 15.334 54.170 ( 3.244 1.740 0.752) 3.757 54.649 ( 0.091 -11.467 -2.628) 11.765 55.325 ( 18.693 -0.452 16.055) 24.645 56.006 ( 8.783 -3.221 -11.799) 15.058 58.036 ( -12.888 2.423 -2.589) 13.367 58.789 ( -5.207 -1.399 -1.707) 5.655 60.477 ( -3.305 12.463 -5.610) 14.061 60.767 ( 0.981 -6.481 -1.858) 6.813 ======================= Grid point 311 (136/355) ======================= q-point: ( 0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 28.935 26.120 15.064) 41.790 4.456 ( 2.852 -3.099 46.013) 46.205 5.258 ( 0.171 -6.663 -14.975) 16.391 5.532 ( 11.115 -17.798 -18.685) 28.097 6.181 ( 10.768 -6.663 21.580) 25.021 8.243 ( 18.497 -2.911 5.338) 19.470 9.125 ( 10.923 3.381 -13.308) 17.545 9.822 ( 3.547 -7.050 -3.143) 8.495 10.177 ( 3.230 6.339 2.089) 7.415 10.832 ( 10.240 -7.384 0.857) 12.654 11.452 ( -9.494 -1.468 0.458) 9.618 12.566 ( -6.192 -1.551 -6.763) 9.300 12.971 ( -8.596 -0.164 -7.999) 11.743 14.246 ( 35.156 -1.600 24.128) 42.669 15.754 ( 0.237 -13.710 -10.101) 17.031 16.942 ( 16.031 2.600 -3.485) 16.610 18.523 ( -18.275 -3.834 4.950) 19.318 19.325 ( -12.128 -5.525 17.441) 21.950 20.004 ( -6.325 8.511 -9.376) 14.154 21.196 ( -11.713 1.555 -8.620) 14.626 21.891 ( 3.143 7.349 1.433) 8.121 22.367 ( -1.312 9.787 -10.836) 14.661 29.357 ( -11.851 0.003 -1.976) 12.015 30.402 ( -8.119 5.251 1.820) 9.839 31.420 ( 5.482 -2.255 2.845) 6.575 31.535 ( -0.523 -6.454 1.806) 6.722 32.003 ( 7.119 1.495 6.398) 9.688 32.925 ( 9.755 -7.072 -6.648) 13.761 35.726 ( 3.302 -0.236 1.138) 3.500 36.069 ( 4.968 3.784 3.985) 7.408 36.228 ( -2.476 0.371 -5.279) 5.843 36.645 ( 4.700 -2.511 -2.391) 5.841 51.811 ( -10.009 9.473 15.746) 20.925 52.538 ( -6.481 -1.559 -6.042) 8.997 54.209 ( 4.739 3.254 1.605) 5.968 54.760 ( -0.407 -12.068 -5.365) 13.213 55.738 ( 18.725 -1.190 14.376) 23.637 56.103 ( 7.240 -5.882 -6.288) 11.250 57.770 ( -13.419 4.358 -4.619) 14.846 58.708 ( -6.569 -2.620 -3.623) 7.947 60.244 ( -2.547 13.243 -3.250) 13.872 60.839 ( -0.105 -6.489 -1.221) 6.604 ======================= Grid point 312 (137/355) ======================= q-point: ( 0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( 25.534 28.585 7.038) 38.970 4.746 ( -6.506 -0.645 44.668) 45.144 5.196 ( -0.773 -4.321 -17.477) 18.020 5.698 ( 3.400 -2.296 -6.860) 7.994 6.544 ( 7.747 -16.676 -1.094) 18.420 8.479 ( 10.598 1.061 1.175) 10.715 9.190 ( 13.808 2.699 -12.676) 18.937 9.945 ( 4.540 -7.578 -3.420) 9.473 10.151 ( 4.381 10.020 3.634) 11.524 11.021 ( 4.800 -3.419 -2.202) 6.291 11.420 ( -0.243 -4.137 3.026) 5.131 12.433 ( -12.362 -8.837 -7.513) 16.952 12.824 ( -5.190 -0.071 -4.656) 6.973 14.835 ( 21.418 2.346 15.026) 26.269 15.924 ( 10.753 -14.097 -6.714) 18.958 17.020 ( 7.090 9.734 -1.441) 12.128 18.401 ( -13.120 -6.178 8.165) 16.643 19.372 ( -10.007 -9.531 17.089) 21.978 19.791 ( 0.550 9.136 -8.440) 12.450 20.965 ( -10.021 -0.757 -9.104) 13.560 21.836 ( 2.728 8.464 -1.875) 9.088 22.165 ( -3.249 7.953 -6.504) 10.775 29.216 ( -6.251 -0.690 -1.150) 6.394 30.251 ( -4.491 5.467 0.206) 7.078 31.482 ( -4.004 -5.950 1.481) 7.323 31.655 ( 4.295 -3.223 3.368) 6.338 32.122 ( 5.660 2.153 7.151) 9.371 33.092 ( 9.304 -5.419 -7.459) 13.099 35.784 ( 3.496 0.793 1.626) 3.936 36.079 ( 0.418 3.913 -0.767) 4.009 36.198 ( 1.507 -0.574 0.509) 1.691 36.701 ( 1.450 -2.203 -2.455) 3.603 51.636 ( -9.030 10.029 9.493) 16.500 52.465 ( -3.914 -3.889 -4.321) 7.008 54.245 ( 4.220 3.974 1.851) 6.085 54.849 ( 0.960 -8.677 -5.905) 10.540 55.984 ( 8.226 -0.405 -2.809) 8.702 56.318 ( 8.597 -5.318 8.305) 13.083 57.533 ( -7.050 3.094 -1.474) 7.839 58.611 ( -7.259 -3.565 -5.474) 9.765 60.059 ( -0.547 11.321 -0.688) 11.355 60.901 ( -0.751 -6.131 -1.128) 6.279 ======================= Grid point 313 (138/355) ======================= q-point: ( 0.42 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 21.779 30.195 4.008) 37.445 4.922 ( -15.128 0.422 47.027) 49.402 5.100 ( 2.412 0.055 -18.789) 18.943 5.589 ( -6.247 3.976 -11.981) 14.085 6.737 ( 1.634 -9.169 -8.490) 12.603 8.572 ( 5.651 4.974 2.603) 7.966 9.251 ( 10.134 1.425 -14.008) 17.347 10.030 ( 1.931 -0.513 -6.576) 6.873 10.164 ( 5.595 5.831 9.386) 12.386 11.016 ( -1.356 3.199 -2.606) 4.343 11.543 ( 4.911 -5.152 0.200) 7.120 12.371 ( -8.430 -15.222 -4.158) 17.891 12.752 ( -2.586 -1.625 -3.346) 4.530 14.946 ( -0.167 6.804 -5.388) 8.680 16.318 ( 19.677 -9.839 6.083) 22.825 16.939 ( 0.836 12.447 3.888) 13.067 18.340 ( -9.094 1.066 6.824) 11.419 19.508 ( -5.264 -13.768 14.827) 20.907 19.690 ( 5.130 6.763 -5.942) 10.362 20.823 ( -5.372 -5.101 -7.652) 10.650 21.748 ( 1.700 7.589 -5.144) 9.325 21.997 ( -3.882 5.411 -3.783) 7.659 29.182 ( -0.468 -2.256 0.545) 2.368 30.151 ( -0.397 4.310 -1.447) 4.564 31.490 ( -6.854 -7.217 1.647) 10.089 31.746 ( 1.735 -0.323 2.786) 3.298 32.217 ( 4.325 2.655 7.709) 9.229 33.220 ( 9.188 -2.580 -8.280) 12.634 35.824 ( 2.774 2.270 1.688) 3.962 36.016 ( -2.190 2.111 -1.257) 3.291 36.262 ( 3.601 -1.098 2.377) 4.453 36.706 ( -1.370 -1.717 -2.909) 3.645 51.462 ( -6.984 7.976 6.036) 12.199 52.441 ( -2.850 -4.754 -3.782) 6.710 54.262 ( 3.303 4.262 1.706) 5.655 54.908 ( 1.839 -3.934 -5.537) 7.037 56.018 ( 1.414 1.134 -5.547) 5.835 56.449 ( 0.253 0.066 2.122) 2.138 57.549 ( 6.376 -2.431 7.911) 10.448 58.509 ( -7.218 -4.404 -6.984) 10.967 59.948 ( 1.095 8.655 1.439) 8.842 60.944 ( -1.520 -5.207 -1.292) 5.576 ======================= Grid point 314 (139/355) ======================= q-point: (-0.50 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 16.205 33.876 3.233) 37.691 4.779 ( -24.678 11.015 16.492) 31.660 5.104 ( -3.244 2.495 17.885) 18.347 5.353 ( -1.262 0.794 -22.545) 22.594 6.700 ( -4.028 3.131 -6.178) 8.012 8.551 ( -0.297 11.113 4.997) 12.189 9.270 ( 6.486 -2.367 -14.782) 16.315 9.967 ( 0.010 4.328 -5.289) 6.834 10.195 ( -3.021 7.279 11.315) 13.789 10.944 ( -0.005 -0.842 -7.249) 7.298 11.627 ( 1.260 -0.634 -1.933) 2.393 12.487 ( 0.567 -13.274 0.971) 13.321 12.738 ( -0.662 -3.895 -2.562) 4.708 14.729 ( -4.551 9.622 -10.709) 15.099 16.653 ( 2.700 -5.376 1.556) 6.214 16.888 ( 9.191 11.483 14.243) 20.474 18.157 ( -10.017 12.301 3.157) 16.175 19.653 ( 0.944 -0.741 -2.519) 2.790 19.784 ( 7.323 -11.062 11.072) 17.279 20.831 ( 0.505 -9.081 -5.448) 10.602 21.636 ( -0.406 5.133 -7.565) 9.151 21.870 ( -3.846 2.793 -2.729) 5.480 29.265 ( 5.194 -4.302 2.142) 7.076 30.119 ( 3.579 2.506 -2.799) 5.189 31.478 ( -8.491 -7.515 1.806) 11.482 31.747 ( -2.295 1.990 1.682) 3.472 32.293 ( 3.090 3.261 8.350) 9.482 33.307 ( 9.806 1.033 -9.132) 13.439 35.832 ( 1.287 2.829 0.887) 3.232 35.957 ( -2.421 1.763 0.929) 3.136 36.352 ( 3.516 -2.431 1.594) 4.562 36.666 ( -3.757 -1.896 -3.365) 5.388 51.333 ( -4.972 5.178 5.001) 8.749 52.442 ( -1.938 -5.544 -3.454) 6.813 54.268 ( 3.019 4.189 1.773) 5.459 54.913 ( 1.581 1.499 -4.471) 4.974 55.910 ( -5.438 6.139 -3.494) 8.914 56.464 ( 2.785 -2.065 -1.676) 3.851 57.793 ( 10.245 -3.732 10.160) 14.904 58.411 ( -6.726 -5.220 -8.312) 11.899 59.892 ( 1.474 6.941 2.447) 7.506 60.963 ( -2.239 -4.206 -1.376) 4.960 ======================= Grid point 315 (140/355) ======================= q-point: (-0.42 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 9.022 39.092 3.407) 40.264 4.248 ( -32.122 18.807 7.920) 38.056 5.080 ( -14.692 8.818 28.142) 32.948 5.273 ( 11.162 2.213 -18.460) 21.686 6.477 ( -8.861 12.318 -3.290) 15.527 8.330 ( -11.010 19.074 6.225) 22.887 9.327 ( 5.740 -8.278 -10.915) 14.853 9.885 ( 0.524 1.830 -6.725) 6.990 10.090 ( -4.453 12.146 12.611) 18.066 10.927 ( -1.468 -5.968 -10.023) 11.757 11.542 ( -5.699 6.134 -3.069) 8.917 12.647 ( 3.654 -3.277 3.761) 6.184 12.802 ( 2.467 -6.967 -1.577) 7.557 14.520 ( 0.599 8.147 -6.902) 10.695 16.595 ( -6.229 1.546 -3.570) 7.344 17.086 ( 10.637 5.772 18.782) 22.343 17.816 ( -11.395 19.063 0.106) 22.209 19.646 ( 0.617 0.740 -1.608) 1.875 20.161 ( 12.859 -12.868 10.499) 21.004 20.933 ( 3.428 -7.328 -6.256) 10.227 21.517 ( -2.995 0.243 -9.599) 10.058 21.780 ( -3.643 0.211 -1.716) 4.032 29.458 ( 9.959 -5.938 2.826) 11.934 30.156 ( 6.830 0.366 -3.454) 7.663 31.444 ( -9.939 -7.196 1.612) 12.376 31.665 ( -5.880 2.543 0.990) 6.482 32.341 ( 1.304 4.426 8.833) 9.966 33.359 ( 11.635 4.893 -10.261) 16.267 35.810 ( -0.571 1.979 -0.138) 2.064 35.916 ( -1.424 2.801 2.994) 4.340 36.424 ( 1.019 -2.530 -1.571) 3.148 36.611 ( -4.633 -3.759 -2.218) 6.365 51.264 ( -3.259 2.494 5.658) 6.989 52.474 ( -1.034 -7.111 -2.281) 7.539 54.279 ( 3.274 3.772 1.976) 5.371 54.861 ( 1.456 6.913 -1.475) 7.217 55.704 ( -7.307 8.243 -1.760) 11.155 56.575 ( 7.649 -4.830 -0.561) 9.063 58.029 ( 7.842 -2.308 7.839) 11.326 58.317 ( -6.512 -5.730 -10.500) 13.620 59.840 ( 0.348 7.304 2.056) 7.596 60.964 ( -2.633 -3.599 -1.243) 4.629 ======================= Grid point 316 (141/355) ======================= q-point: (-0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 1.626 42.275 6.503) 42.803 3.595 ( -28.743 24.218 12.345) 39.561 4.817 ( -28.231 20.802 36.492) 50.610 5.310 ( 19.170 13.123 -14.259) 27.258 6.133 ( -13.162 12.894 -1.512) 18.487 7.893 ( -19.753 22.811 8.951) 31.474 9.488 ( 5.403 -12.662 -3.677) 14.249 9.865 ( 6.402 0.672 -8.787) 10.893 9.990 ( -1.819 9.540 10.199) 14.083 10.834 ( -7.586 1.476 -11.248) 13.647 11.339 ( -8.807 2.815 -0.638) 9.268 12.706 ( 3.245 6.289 4.722) 8.507 12.936 ( 4.235 -8.214 -2.294) 9.522 14.471 ( 6.671 5.516 -0.145) 8.657 16.414 ( -9.786 2.715 -9.984) 14.241 17.287 ( 13.612 16.622 8.048) 22.942 17.445 ( -10.963 9.306 14.854) 20.674 19.634 ( -0.773 0.616 0.627) 1.170 20.568 ( 13.149 -9.764 8.532) 18.467 20.964 ( 3.350 0.871 -10.272) 10.839 21.416 ( -5.535 -6.015 -11.610) 14.199 21.755 ( -1.924 -4.039 1.104) 4.608 29.722 ( 13.310 -6.275 2.066) 14.860 30.259 ( 8.501 -2.280 -2.816) 9.241 31.377 ( -11.428 -6.042 1.217) 12.984 31.546 ( -8.173 0.611 0.860) 8.241 32.338 ( -1.459 6.258 8.438) 10.606 33.395 ( 14.861 8.394 -12.286) 21.030 35.770 ( -1.873 1.177 -0.510) 2.271 35.890 ( 0.077 3.935 3.951) 5.577 36.387 ( -6.276 -2.943 -6.104) 9.236 36.613 ( -1.981 -5.001 -0.402) 5.394 51.256 ( -1.870 0.360 7.452) 7.691 52.558 ( -0.463 -10.538 0.263) 10.552 54.300 ( 3.336 3.160 1.756) 4.919 54.791 ( 3.045 10.993 4.231) 12.166 55.492 ( -6.501 8.143 -1.566) 10.537 56.794 ( 12.226 -6.774 1.961) 14.114 58.147 ( -4.470 -2.130 -3.570) 6.104 58.230 ( 1.125 -3.699 -5.235) 6.508 59.744 ( -1.308 9.708 1.612) 9.927 60.957 ( -2.807 -3.345 -1.314) 4.560 ======================= Grid point 317 (142/355) ======================= q-point: (-0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -2.752 41.120 17.182) 44.651 3.066 ( -16.504 29.368 24.063) 41.399 4.277 ( -36.017 34.835 41.946) 65.347 5.242 ( 14.827 30.945 -2.426) 34.399 5.859 ( -7.338 2.248 -3.229) 8.326 7.387 ( -21.854 21.560 12.254) 33.054 9.690 ( 0.480 -10.756 3.686) 11.380 9.936 ( 8.801 4.647 2.001) 10.152 9.966 ( 4.256 -4.330 -7.698) 9.804 10.508 ( -11.307 14.124 -9.046) 20.228 11.277 ( -6.097 -9.037 1.988) 11.081 12.675 ( 2.035 10.435 4.848) 11.685 13.058 ( 3.317 -6.253 -5.434) 8.924 14.554 ( 8.318 4.223 5.980) 11.080 16.084 ( -13.337 7.627 -16.573) 22.599 16.996 ( -0.783 23.786 -7.970) 25.098 17.796 ( 18.822 -6.129 40.436) 45.021 19.609 ( -3.055 1.260 2.271) 4.010 20.718 ( -0.069 3.712 -10.068) 10.730 21.021 ( 7.703 -3.759 2.872) 9.040 21.351 ( -1.197 -7.305 -10.640) 12.962 21.823 ( -0.949 -7.471 1.950) 7.779 30.008 ( 15.355 -4.849 -0.066) 16.102 30.413 ( 7.002 -5.815 -0.371) 9.109 31.276 ( -12.435 -5.413 1.276) 13.622 31.433 ( -8.908 -2.122 0.144) 9.158 32.260 ( -4.702 8.317 6.929) 11.802 33.414 ( 17.324 11.884 -17.163) 27.128 35.725 ( -1.904 0.957 -0.250) 2.145 35.877 ( 0.807 4.245 3.879) 5.806 36.253 ( -11.266 -3.984 -6.666) 13.683 36.628 ( -2.075 -3.228 -2.157) 4.402 51.302 ( -0.724 -1.034 10.120) 10.198 52.726 ( -0.857 -17.302 3.296) 17.634 54.323 ( 3.349 3.082 1.446) 4.775 54.758 ( 3.637 11.597 10.373) 15.978 55.311 ( -3.154 7.298 -1.976) 8.192 57.091 ( 11.369 -8.197 -2.095) 14.171 57.955 ( -7.909 -0.129 -12.737) 14.993 58.321 ( 4.140 -1.570 3.114) 5.413 59.608 ( -0.907 12.407 4.206) 13.131 60.941 ( -3.030 -3.110 -2.168) 4.853 ======================= Grid point 318 (143/355) ======================= q-point: (-0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 6.783 37.235 32.299) 49.757 2.700 ( -9.204 37.458 29.334) 48.459 3.651 ( -32.891 29.728 54.873) 70.545 5.079 ( 14.371 34.850 16.434) 41.123 5.775 ( 2.334 1.564 -9.931) 10.321 6.942 ( -19.664 17.107 15.538) 30.344 9.767 ( 1.284 2.714 2.848) 4.139 9.937 ( -13.890 -3.528 1.413) 14.401 10.070 ( 2.895 -0.521 -7.668) 8.213 10.235 ( 8.096 2.188 -7.775) 11.436 11.387 ( -0.454 -13.404 4.960) 14.300 12.584 ( -0.512 11.474 2.937) 11.855 13.091 ( 1.063 -1.949 -7.823) 8.132 14.593 ( -4.318 4.186 -1.041) 6.103 15.728 ( -2.156 9.715 -9.776) 13.950 16.650 ( -0.589 23.627 -8.146) 24.999 18.678 ( 33.303 -25.414 44.012) 60.762 19.533 ( -6.424 2.918 2.456) 7.471 20.583 ( 5.873 4.686 -11.379) 13.636 21.070 ( -8.591 -5.691 -1.114) 10.365 21.494 ( 14.862 -3.477 -1.445) 15.331 21.900 ( -2.002 -6.778 0.667) 7.098 30.276 ( 15.673 -2.661 -1.652) 15.983 30.572 ( -0.163 -9.517 2.440) 9.826 31.174 ( -12.533 -6.609 1.443) 14.242 31.343 ( -6.463 -3.200 -1.583) 7.384 32.100 ( -7.630 10.096 5.101) 13.645 33.322 ( 12.288 18.270 -25.669) 33.818 35.696 ( -0.730 0.657 0.610) 1.156 35.841 ( -4.266 2.495 1.428) 5.144 36.097 ( -6.303 0.047 -1.470) 6.472 36.598 ( -2.533 -1.007 -3.608) 4.522 51.399 ( 0.235 -1.888 13.820) 13.950 52.986 ( -3.295 -26.662 3.030) 27.035 54.352 ( 4.952 4.095 2.146) 6.775 54.729 ( -4.694 6.423 11.409) 13.908 55.230 ( 4.319 5.825 -0.554) 7.272 56.899 ( -22.026 11.996 -31.566) 40.317 58.082 ( 16.628 -9.665 9.174) 21.309 58.449 ( 9.755 -3.541 3.525) 10.960 59.538 ( 6.260 10.923 11.327) 16.935 60.911 ( -3.085 -2.804 -3.739) 5.600 ======================= Grid point 319 (144/355) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -9.549 43.663 29.188) 53.382 2.357 ( 14.349 28.297 39.336) 50.537 3.639 ( -3.422 6.178 74.535) 74.869 5.122 ( 23.133 24.374 18.866) 38.538 5.711 ( 6.098 5.949 -13.948) 16.343 6.653 ( -13.261 11.607 22.624) 28.678 9.651 ( -13.080 4.797 -4.504) 14.642 9.744 ( 1.308 5.915 -2.605) 6.595 10.107 ( -4.739 -7.324 4.627) 9.875 10.342 ( 8.367 -1.935 -9.329) 12.680 11.650 ( 6.722 -15.144 6.433) 17.774 12.424 ( -2.774 12.239 -0.405) 12.556 13.057 ( 1.355 1.149 -5.103) 5.403 14.257 ( -19.244 6.940 -16.613) 26.353 15.729 ( 11.388 2.957 3.352) 12.234 16.316 ( 0.650 22.655 -5.620) 23.350 19.366 ( -11.962 -0.566 2.705) 12.277 19.568 ( 3.235 -17.210 12.226) 21.357 20.864 ( 8.502 -16.696 0.736) 18.751 21.045 ( 17.297 -10.947 -0.305) 20.473 21.759 ( 16.255 -2.133 -1.003) 16.425 21.941 ( 3.758 -2.787 -2.055) 5.110 30.483 ( 1.487 -5.774 2.309) 6.393 30.632 ( -3.184 -6.167 -1.355) 7.071 31.071 ( -13.682 -5.181 1.591) 14.716 31.327 ( 1.926 -3.026 -2.332) 4.279 31.879 ( -8.905 11.135 4.663) 15.001 32.962 ( 1.620 25.770 -23.005) 34.583 35.679 ( -2.815 1.891 1.584) 3.743 35.758 ( -1.811 -1.483 1.193) 2.627 36.097 ( 7.223 3.750 3.195) 8.743 36.540 ( -2.461 -0.317 -4.165) 4.848 51.544 ( 0.602 -2.568 18.170) 18.361 53.260 ( -8.668 -31.061 -2.660) 32.357 54.391 ( 5.047 6.162 3.037) 8.524 54.629 ( -12.866 -0.780 8.893) 15.660 55.198 ( -5.500 7.258 -0.249) 9.110 56.092 ( -10.443 28.701 -26.541) 40.463 58.318 ( -1.577 -4.267 5.044) 6.793 58.779 ( 12.292 -6.702 -0.220) 14.002 59.830 ( 27.325 -5.797 13.320) 30.947 60.867 ( -2.513 -2.247 -5.614) 6.549 ======================= Grid point 322 (145/355) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( 20.388 -0.000 36.027) 41.396 4.304 ( 35.409 -0.000 24.048) 42.803 5.066 ( 5.173 -0.000 -11.016) 12.171 5.270 ( -0.699 0.000 -21.062) 21.074 6.138 ( 4.733 -0.000 22.774) 23.261 8.209 ( 23.836 -0.000 3.509) 24.093 9.195 ( 13.617 -0.000 -15.152) 20.372 9.695 ( 2.943 -0.000 -4.581) 5.445 10.267 ( 4.704 -0.000 4.237) 6.331 10.738 ( 8.750 -0.000 4.831) 9.995 11.428 ( -10.748 0.000 0.138) 10.749 12.547 ( -10.092 0.000 -7.872) 12.799 12.979 ( -6.162 0.000 -8.611) 10.589 14.230 ( 37.850 -0.000 24.649) 45.169 15.578 ( 1.641 -0.000 -9.194) 9.339 16.971 ( 20.970 -0.000 -3.676) 21.290 18.469 ( -19.849 0.000 1.360) 19.896 19.259 ( -13.949 0.000 19.197) 23.730 20.108 ( -7.492 0.000 -9.511) 12.107 21.216 ( -13.159 0.000 -8.857) 15.862 21.979 ( 1.534 -0.000 2.672) 3.081 22.503 ( -3.211 0.000 -13.415) 13.794 29.359 ( -11.452 0.000 -2.906) 11.815 30.473 ( -9.082 0.000 3.598) 9.768 31.417 ( -4.804 0.000 0.722) 4.858 31.418 ( 9.491 -0.000 4.902) 10.682 32.024 ( 7.823 -0.000 5.274) 9.435 32.832 ( 11.795 -0.000 -5.029) 12.822 35.722 ( 3.884 -0.000 0.934) 3.995 36.120 ( 4.899 -0.000 5.475) 7.347 36.237 ( -2.734 0.000 -6.710) 7.246 36.607 ( 5.133 -0.000 -2.848) 5.871 51.941 ( -11.476 0.000 20.709) 23.676 52.510 ( -9.033 0.000 -9.863) 13.375 54.296 ( 10.048 -0.000 -0.042) 10.048 54.557 ( -0.123 0.000 -3.532) 3.534 55.738 ( 20.011 -0.000 19.861) 28.194 56.019 ( 6.878 -0.000 -11.588) 13.476 57.826 ( -13.715 0.000 -4.852) 14.548 58.671 ( -7.294 0.000 -2.800) 7.813 60.472 ( -1.265 0.000 -9.907) 9.987 60.698 ( -3.213 0.000 3.190) 4.528 ======================= Grid point 323 (146/355) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.474 ( 28.619 28.122 18.494) 44.181 4.774 ( 1.609 7.121 31.250) 32.091 5.122 ( 4.593 -1.968 -17.148) 17.861 5.399 ( 20.878 -24.292 -11.479) 34.026 6.254 ( -5.201 -4.846 7.857) 10.596 8.500 ( 17.503 0.487 -5.127) 18.245 9.313 ( 18.119 5.913 -11.194) 22.104 9.740 ( 2.239 -7.766 -5.580) 9.822 10.354 ( 8.101 5.768 2.863) 10.348 10.918 ( 7.885 -3.620 3.054) 9.198 11.342 ( -4.485 -2.075 5.409) 7.326 12.294 ( -16.596 -2.811 -10.093) 19.626 12.841 ( -5.449 0.853 -5.095) 7.509 14.867 ( 23.373 0.467 14.309) 27.409 15.677 ( 17.130 -5.632 -3.316) 18.335 17.213 ( 18.147 5.157 -4.490) 19.393 18.236 ( -16.850 -5.245 5.764) 18.565 19.217 ( -13.619 -3.303 20.994) 25.242 19.951 ( -1.580 3.668 -9.600) 10.397 20.952 ( -13.328 -0.293 -10.458) 16.944 21.980 ( -0.011 3.140 0.245) 3.149 22.328 ( -5.635 4.324 -8.968) 11.440 29.212 ( -5.515 0.059 -3.322) 6.439 30.362 ( -6.534 2.957 2.692) 7.660 31.363 ( -5.800 -3.056 1.195) 6.664 31.587 ( 6.665 -1.853 5.462) 8.814 32.158 ( 6.008 0.807 5.743) 8.350 32.988 ( 12.036 -2.554 -5.931) 13.659 35.794 ( 4.803 0.161 1.188) 4.951 36.143 ( -2.794 0.852 -6.275) 6.921 36.216 ( 3.842 1.683 5.819) 7.174 36.648 ( 1.765 -1.676 -2.731) 3.658 51.846 ( -13.346 6.159 15.815) 21.591 52.363 ( -4.684 -3.650 -9.687) 11.362 54.391 ( 8.531 7.934 0.251) 11.653 54.622 ( 4.317 -9.793 -4.053) 11.444 56.012 ( 7.464 2.398 -6.376) 10.105 56.182 ( 13.555 -4.973 14.428) 20.412 57.599 ( -9.987 1.787 -3.650) 10.782 58.542 ( -8.366 -1.731 -4.041) 9.451 60.331 ( -0.130 9.875 -6.200) 11.661 60.722 ( -3.399 -7.684 1.310) 8.504 ======================= Grid point 324 (147/355) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( 31.034 36.351 -2.506) 47.862 4.916 ( -9.193 -0.393 40.009) 41.054 5.110 ( 9.277 0.525 -17.435) 19.757 5.692 ( -2.102 2.611 0.375) 3.373 6.375 ( 5.071 -19.800 -6.037) 21.312 8.659 ( 12.373 2.075 -6.158) 13.975 9.377 ( 11.467 8.542 -8.988) 16.889 9.869 ( 5.395 -9.407 -6.563) 12.676 10.404 ( 8.730 10.502 4.187) 14.284 11.034 ( 0.768 -2.266 -2.513) 3.470 11.423 ( 3.062 -3.925 7.596) 9.081 12.068 ( -11.741 -9.209 -7.269) 16.598 12.734 ( -4.520 0.001 -2.941) 5.392 15.016 ( -0.046 -0.031 -9.535) 9.535 16.145 ( 26.969 -4.439 11.057) 29.483 17.274 ( 9.363 14.380 0.515) 17.167 18.237 ( -2.199 -8.749 7.504) 11.734 19.237 ( -12.229 -7.939 21.025) 25.586 19.844 ( 2.991 5.512 -8.584) 10.630 20.716 ( -10.774 -3.575 -11.028) 15.826 21.911 ( -1.425 5.146 -2.647) 5.960 22.131 ( -6.316 5.134 -5.359) 9.745 29.154 ( 0.163 -0.360 -2.284) 2.318 30.260 ( -2.939 4.169 0.875) 5.175 31.332 ( -7.191 -5.474 1.849) 9.225 31.719 ( 3.007 -1.493 5.210) 6.198 32.262 ( 4.242 1.161 6.159) 7.568 33.152 ( 12.209 -2.610 -7.378) 14.502 35.865 ( 4.450 1.231 0.909) 4.706 36.051 ( -3.057 0.441 -4.629) 5.565 36.279 ( 2.995 2.370 5.187) 6.442 36.658 ( -1.210 -2.226 -2.567) 3.607 51.658 ( -11.955 7.858 9.791) 17.335 52.308 ( -3.048 -5.912 -7.639) 10.129 54.396 ( 4.945 6.452 -0.340) 8.136 54.797 ( 8.957 -5.244 -2.603) 10.700 56.029 ( 4.496 0.287 -8.169) 9.329 56.435 ( 2.363 -1.248 7.783) 8.229 57.521 ( 2.291 -0.131 5.228) 5.710 58.416 ( -8.433 -3.062 -5.133) 10.336 60.182 ( 0.986 10.449 -2.528) 10.795 60.776 ( -3.167 -8.466 -0.360) 9.046 ======================= Grid point 325 (148/355) ======================= q-point: (-0.58 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( 26.540 36.370 -2.962) 45.121 4.986 ( -12.831 5.439 28.213) 31.467 5.146 ( 7.938 2.751 -6.415) 10.571 5.454 ( -10.550 6.421 -4.763) 13.237 6.641 ( 7.602 -8.624 -3.089) 11.904 8.744 ( 9.158 4.243 -3.351) 10.635 9.332 ( 4.709 7.456 -9.710) 13.117 9.946 ( -1.277 -3.675 -7.136) 8.128 10.428 ( 6.661 9.702 6.338) 13.367 10.945 ( -7.271 0.138 -8.354) 11.076 11.569 ( 4.558 -2.647 3.462) 6.306 12.153 ( 5.644 -13.853 2.739) 15.208 12.670 ( -3.252 -1.828 -2.233) 4.348 14.855 ( -6.146 1.482 -15.982) 17.187 16.539 ( 8.295 -3.419 8.306) 12.226 17.251 ( 11.599 17.381 9.158) 22.814 18.355 ( 3.150 3.335 5.100) 6.859 19.372 ( -4.538 -14.209 17.425) 22.937 19.788 ( 4.582 4.330 -5.913) 8.643 20.603 ( -4.671 -9.332 -9.289) 13.970 21.783 ( -3.130 5.961 -5.269) 8.549 21.954 ( -6.351 4.007 -3.180) 8.156 29.198 ( 5.689 -1.548 -0.466) 5.914 30.197 ( 1.198 3.712 -1.147) 4.066 31.304 ( -8.603 -6.659 2.379) 11.136 31.770 ( -1.736 0.076 3.824) 4.201 32.343 ( 2.813 1.204 6.529) 7.210 33.302 ( 12.932 -1.050 -8.608) 15.570 35.878 ( -0.133 1.632 -2.409) 2.912 36.003 ( -0.046 1.061 0.941) 1.419 36.327 ( 2.309 0.832 3.275) 4.093 36.628 ( -3.643 -1.685 -2.495) 4.726 51.470 ( -9.726 6.137 6.916) 13.420 52.297 ( -1.921 -6.447 -6.887) 9.627 54.388 ( 4.020 5.317 -0.255) 6.670 54.950 ( 9.896 1.257 -0.925) 10.018 56.006 ( 0.014 2.155 -6.205) 6.568 56.432 ( -2.884 -0.590 -0.787) 3.048 57.715 ( 10.634 -2.590 11.633) 15.972 58.300 ( -7.794 -3.902 -5.950) 10.553 60.080 ( 1.834 8.767 0.039) 8.957 60.819 ( -3.579 -7.668 -1.158) 8.541 ======================= Grid point 326 (149/355) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 13.267 37.682 -1.684) 39.984 4.713 ( -20.144 20.180 12.578) 31.165 5.127 ( -5.523 -2.875 6.993) 9.364 5.425 ( 15.758 8.716 0.899) 18.030 6.715 ( 2.150 6.487 -0.098) 6.834 8.749 ( 3.360 13.129 1.610) 13.647 9.216 ( -1.801 1.312 -9.872) 10.120 9.848 ( -5.865 -2.351 -8.870) 10.890 10.445 ( 4.314 11.161 8.576) 14.722 10.788 ( -5.559 -2.332 -10.273) 11.912 11.629 ( 0.319 1.358 -1.157) 1.812 12.495 ( 12.732 -9.267 8.943) 18.110 12.659 ( -0.940 -4.455 -2.016) 4.979 14.642 ( -4.210 2.045 -13.116) 13.926 16.599 ( -5.441 -0.649 1.937) 5.812 17.330 ( 11.541 13.927 15.628) 23.904 18.255 ( -2.377 16.839 0.460) 17.012 19.608 ( 3.175 -6.227 1.717) 7.198 19.871 ( 8.698 -8.337 8.034) 14.481 20.669 ( 1.614 -13.375 -6.598) 15.001 21.608 ( -5.267 5.676 -7.332) 10.664 21.806 ( -6.273 1.992 -2.486) 7.036 29.349 ( 10.592 -3.167 1.220) 11.122 30.193 ( 5.110 2.412 -2.794) 6.303 31.268 ( -10.005 -7.152 2.466) 12.543 31.718 ( -6.367 1.648 1.853) 6.833 32.406 ( 1.329 1.358 6.942) 7.197 33.433 ( 14.076 1.565 -9.723) 17.179 35.817 ( -3.575 -0.346 -3.001) 4.681 36.008 ( 1.566 3.823 3.845) 5.644 36.371 ( 1.238 -1.381 0.044) 1.855 36.562 ( -5.058 -1.008 -1.676) 5.423 51.332 ( -7.649 3.318 6.608) 10.639 52.310 ( -0.588 -6.692 -6.471) 9.328 54.387 ( 4.164 4.863 0.241) 6.406 55.039 ( 9.221 7.498 1.721) 12.009 55.875 ( -5.807 6.027 -3.572) 9.100 56.452 ( 3.318 -5.148 -2.620) 6.662 57.976 ( 9.525 -2.037 9.890) 13.881 58.196 ( -7.101 -4.237 -6.895) 10.766 60.018 ( 1.869 7.604 1.387) 7.952 60.838 ( -4.209 -6.716 -1.298) 8.031 ======================= Grid point 327 (150/355) ======================= q-point: (-0.42 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -10.987 30.509 1.543) 32.464 4.277 ( -6.973 34.040 14.899) 37.806 5.136 ( -7.717 4.873 21.449) 23.310 5.592 ( 24.888 13.092 -2.668) 28.247 6.548 ( -4.461 18.858 0.894) 19.399 8.463 ( -13.127 24.439 5.009) 28.190 9.213 ( 0.965 -9.954 -4.270) 10.874 9.779 ( 1.266 -4.485 -12.216) 13.075 10.388 ( 3.681 17.649 8.938) 20.122 10.705 ( -4.807 -7.179 -9.627) 12.935 11.512 ( -6.609 7.813 -2.776) 10.603 12.726 ( 1.795 -7.748 -2.245) 8.264 12.788 ( 9.119 -0.377 9.926) 13.484 14.547 ( 2.873 0.622 -5.275) 6.039 16.481 ( -7.289 2.526 -4.329) 8.846 17.458 ( 5.318 6.902 22.278) 23.921 17.940 ( -3.337 23.115 -5.778) 24.059 19.645 ( 1.443 0.493 -2.234) 2.705 20.286 ( 15.204 -13.526 11.355) 23.304 20.829 ( 3.422 -12.236 -6.005) 14.053 21.394 ( -7.277 4.268 -10.153) 13.201 21.696 ( -5.556 -1.013 -1.350) 5.806 29.591 ( 14.146 -4.499 2.091) 14.991 30.248 ( 7.980 0.870 -3.584) 8.791 31.213 ( -11.361 -7.177 1.945) 13.578 31.584 ( -9.635 1.970 0.436) 9.844 32.438 ( -0.796 2.328 6.874) 7.301 33.541 ( 15.366 4.232 -11.398) 19.594 35.753 ( -4.570 -1.780 -1.898) 5.259 36.006 ( 1.517 5.132 4.394) 6.924 36.354 ( -4.065 -0.553 -4.944) 6.425 36.521 ( -2.183 -2.542 1.163) 3.547 51.261 ( -5.902 0.425 7.945) 9.906 52.352 ( 0.720 -7.302 -5.618) 9.241 54.398 ( 4.655 4.768 0.968) 6.734 55.072 ( 7.798 12.030 5.920) 15.510 55.675 ( -6.850 7.271 -2.674) 10.341 56.607 ( 8.397 -8.519 -1.544) 12.061 58.084 ( -7.104 -3.040 -7.543) 10.798 58.167 ( 5.922 -1.548 5.400) 8.163 59.959 ( 1.208 8.246 1.748) 8.516 60.841 ( -4.597 -6.084 -1.134) 7.709 ======================= Grid point 328 (151/355) ======================= q-point: (-0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -10.525 30.375 14.251) 35.164 3.874 ( -7.118 37.454 21.175) 43.610 5.025 ( -10.046 23.798 29.449) 39.173 5.786 ( 25.369 12.877 -4.952) 28.878 6.178 ( -7.395 26.952 1.526) 27.990 7.953 ( -20.688 25.300 9.832) 34.128 9.366 ( 0.291 -13.136 2.542) 13.383 9.816 ( 8.670 -6.218 -16.870) 19.961 10.284 ( 3.919 17.753 6.939) 19.460 10.650 ( -4.056 -2.834 -7.890) 9.313 11.261 ( -10.065 8.272 0.272) 13.031 12.821 ( 1.143 -4.492 -3.295) 5.687 12.921 ( 4.386 1.789 7.291) 8.694 14.624 ( 7.809 0.884 3.672) 8.675 16.269 ( -6.612 7.128 -10.840) 14.561 17.484 ( -12.564 13.425 6.964) 19.662 17.758 ( 16.188 7.496 13.317) 22.262 19.640 ( 0.421 1.509 0.231) 1.583 20.690 ( 10.107 -6.988 5.907) 13.634 20.934 ( 0.061 -7.596 -6.481) 9.985 21.192 ( -2.962 -0.683 -11.019) 11.431 21.666 ( -2.899 -5.362 0.247) 6.100 29.884 ( 15.818 -4.961 2.001) 16.698 30.348 ( 8.578 -0.683 -3.067) 9.135 31.134 ( -11.906 -6.593 0.926) 13.641 31.414 ( -11.128 0.520 -0.165) 11.141 32.413 ( -3.443 4.413 5.947) 8.166 33.618 ( 15.686 6.118 -14.765) 22.394 35.702 ( -4.558 -2.465 -0.748) 5.235 35.989 ( 0.322 5.091 3.516) 6.196 36.232 ( -5.712 1.344 -4.187) 7.209 36.544 ( -1.239 -3.485 -0.165) 3.703 51.259 ( -4.467 -2.109 10.239) 11.368 52.430 ( 1.520 -8.824 -4.140) 9.865 54.423 ( 5.403 5.075 2.104) 7.706 55.062 ( 3.370 13.493 9.987) 17.122 55.485 ( -3.587 7.333 -2.896) 8.662 56.859 ( 9.995 -10.791 -1.631) 14.799 57.942 ( -6.376 -0.907 -9.538) 11.509 58.281 ( 3.004 -1.533 3.950) 5.194 59.880 ( 1.057 10.156 2.739) 10.572 60.834 ( -4.648 -5.577 -1.549) 7.424 ======================= Grid point 329 (152/355) ======================= q-point: (-0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 3.572 32.555 28.182) 43.207 3.499 ( -9.539 33.123 31.300) 46.561 4.633 ( -15.915 45.148 31.255) 57.171 5.768 ( -8.655 11.375 0.750) 14.313 5.980 ( 29.296 26.232 -2.678) 39.415 7.442 ( -19.849 24.390 17.065) 35.779 9.533 ( -4.471 -13.259 7.074) 15.679 9.930 ( 12.273 -7.615 -20.727) 25.263 10.154 ( -3.015 14.243 4.152) 15.139 10.515 ( 2.368 12.449 -6.404) 14.198 11.145 ( -4.016 -4.637 6.892) 9.227 12.787 ( -2.649 3.361 -2.950) 5.198 13.011 ( 2.754 -1.791 1.955) 3.823 14.710 ( 0.872 4.751 3.075) 5.726 16.007 ( -0.263 12.205 -10.185) 15.899 17.149 ( -5.294 17.793 -5.094) 19.250 18.198 ( 14.890 -13.827 30.510) 36.657 19.614 ( -1.350 3.729 2.197) 4.534 20.698 ( -4.943 2.435 -8.040) 9.747 20.920 ( -4.116 -5.534 -8.278) 10.774 21.327 ( 12.535 -8.664 1.189) 15.284 21.729 ( 0.170 -7.359 -0.083) 7.362 30.180 ( 14.180 -4.436 1.858) 14.973 30.453 ( 4.797 -2.356 -1.728) 5.617 31.047 ( -9.457 -4.799 0.304) 10.609 31.262 ( -9.868 -2.643 -1.025) 10.267 32.312 ( -5.879 7.177 4.602) 10.356 33.621 ( 12.025 8.434 -20.689) 25.372 35.671 ( -3.349 -2.575 0.454) 4.249 35.911 ( -5.596 3.980 -0.044) 6.868 36.155 ( 1.877 3.712 1.284) 4.353 36.549 ( -2.136 -2.728 -2.221) 4.116 51.321 ( -3.272 -4.168 13.028) 14.065 52.550 ( 1.239 -11.712 -2.452) 12.030 54.469 ( 7.034 5.604 3.872) 9.792 54.951 ( -7.500 11.462 8.740) 16.249 55.390 ( 4.080 7.480 -0.142) 8.521 56.982 ( -5.075 -3.555 -14.553) 15.817 57.909 ( 8.072 -4.577 0.421) 9.289 58.364 ( 2.039 -3.397 2.898) 4.909 59.806 ( 2.982 10.919 5.986) 12.804 60.816 ( -4.096 -4.878 -3.046) 7.060 ======================= Grid point 330 (153/355) ======================= q-point: (-0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 1.812 36.969 32.750) 49.422 3.285 ( -2.769 30.884 35.010) 46.767 4.127 ( -4.191 38.791 43.538) 58.463 5.585 ( 0.255 11.468 1.718) 11.598 6.040 ( 21.036 20.988 -8.771) 30.983 7.081 ( -9.439 24.449 28.889) 39.005 9.622 ( -9.628 -9.265 4.691) 14.162 9.895 ( -8.666 11.170 -0.104) 14.138 10.034 ( 7.930 -5.470 -16.820) 19.383 10.433 ( 11.641 13.414 -1.956) 17.869 11.325 ( 5.543 -11.564 9.749) 16.109 12.646 ( -5.035 5.454 -5.163) 9.042 13.062 ( 2.141 0.359 0.929) 2.361 14.482 ( -14.253 11.267 -11.369) 21.433 15.916 ( 10.856 11.173 1.575) 15.657 16.836 ( -1.357 19.428 -8.034) 21.068 18.850 ( 3.130 -28.528 30.269) 41.712 19.542 ( -1.995 6.219 3.466) 7.393 20.585 ( -5.236 -8.247 -7.951) 12.596 20.900 ( 6.207 -2.502 -7.114) 9.767 21.600 ( 5.353 -9.452 2.081) 11.060 21.842 ( 7.083 -5.546 -2.023) 9.221 30.343 ( -6.847 -3.936 4.555) 9.117 30.553 ( 10.178 -3.982 -4.009) 11.641 30.975 ( -7.219 -1.467 1.804) 7.584 31.217 ( -0.234 -5.871 -2.390) 6.343 32.140 ( -7.452 9.876 3.785) 12.938 33.444 ( 3.584 14.334 -24.753) 28.827 35.680 ( -0.320 -2.541 1.561) 2.999 35.773 ( -5.447 3.668 0.204) 6.570 36.199 ( 7.729 4.280 2.973) 9.322 36.518 ( -2.657 -1.550 -3.593) 4.730 51.441 ( -2.481 -5.825 16.016) 17.222 52.704 ( -0.759 -15.414 -1.661) 15.522 54.555 ( 9.983 6.622 5.782) 13.302 54.717 ( -14.281 7.855 6.146) 17.419 55.371 ( 2.576 7.899 1.666) 8.474 56.600 ( -13.345 13.400 -24.126) 30.655 58.177 ( 4.190 -7.381 5.578) 10.156 58.540 ( 11.181 -11.059 1.852) 15.834 59.833 ( 7.938 5.193 10.452) 14.115 60.793 ( -1.999 -3.782 -5.095) 6.653 ======================= Grid point 331 (154/355) ======================= q-point: (-0.08 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -11.975 37.165 27.305) 47.647 3.251 ( 12.375 26.825 40.023) 49.745 4.372 ( 22.642 14.796 56.875) 62.979 5.486 ( 3.561 7.923 -6.287) 10.722 5.957 ( 7.987 14.330 -14.347) 21.793 7.031 ( 10.192 23.909 38.608) 46.541 9.452 ( -13.487 2.589 -5.084) 14.644 9.785 ( -1.891 0.810 3.152) 3.764 10.072 ( 4.707 -1.708 -9.154) 10.434 10.466 ( 10.738 8.186 -0.958) 13.536 11.647 ( 7.256 -12.038 8.108) 16.226 12.472 ( -2.322 5.448 -5.568) 8.128 13.099 ( 4.416 2.298 2.561) 5.598 13.981 ( -17.261 12.445 -17.598) 27.614 15.994 ( 9.522 9.413 4.944) 14.273 16.549 ( 3.186 18.812 -7.754) 20.595 19.125 ( -17.006 -10.710 11.762) 23.286 19.518 ( -3.879 -0.336 8.945) 9.755 20.553 ( -13.595 -14.051 -5.965) 20.441 21.208 ( 21.978 -15.880 -2.118) 27.197 21.694 ( -5.356 -7.127 -0.574) 8.934 22.081 ( 16.968 -8.764 -6.080) 20.042 30.182 ( -21.845 -3.637 2.879) 22.332 30.714 ( 1.431 -5.837 -2.746) 6.608 30.926 ( 2.915 1.964 2.199) 4.146 31.344 ( 8.511 -4.983 -0.959) 9.909 31.929 ( -7.132 11.082 4.467) 13.916 33.092 ( 0.261 19.571 -19.160) 27.390 35.681 ( -1.661 2.773 0.773) 3.324 35.753 ( 2.914 -3.203 2.122) 4.823 36.300 ( 9.677 3.277 0.834) 10.251 36.468 ( -1.829 -0.502 -3.956) 4.387 51.603 ( -2.744 -6.973 18.778) 20.218 52.848 ( -5.200 -17.015 -2.633) 17.986 54.426 ( -14.587 7.722 4.276) 17.050 54.719 ( 12.841 5.161 8.815) 16.408 55.220 ( -7.079 13.439 -1.178) 15.235 56.156 ( 1.744 15.407 -18.882) 24.433 58.238 ( -6.258 -4.470 2.740) 8.164 58.819 ( 5.934 -6.734 -0.773) 9.008 60.078 ( 9.587 -10.293 8.879) 16.634 60.786 ( 2.316 -1.714 -6.553) 7.158 ======================= Grid point 335 (155/355) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( -8.167 0.000 34.456) 35.410 5.117 ( 11.943 -0.000 -16.468) 20.342 5.228 ( 24.679 -0.000 -13.108) 27.944 5.596 ( 33.183 -0.000 14.127) 36.065 6.051 ( -17.967 0.000 -3.589) 18.322 8.681 ( 13.773 -0.000 -9.195) 16.560 9.597 ( 20.592 -0.000 -8.029) 22.102 9.642 ( -0.875 0.000 -6.298) 6.359 10.567 ( 13.900 -0.000 -0.015) 13.900 10.965 ( -2.308 0.000 -0.811) 2.446 11.377 ( 3.484 -0.000 11.922) 12.421 11.957 ( -14.218 0.000 -9.344) 17.013 12.738 ( -5.620 0.000 -2.825) 6.290 15.004 ( -0.160 0.000 -11.105) 11.106 16.096 ( 29.535 -0.000 13.226) 32.361 17.502 ( 19.402 -0.000 -5.858) 20.267 18.069 ( -6.279 0.000 13.402) 14.800 19.143 ( -14.254 0.000 22.275) 26.445 19.917 ( 2.772 -0.000 -9.096) 9.508 20.669 ( -13.587 0.000 -12.231) 18.281 21.973 ( -2.577 0.000 -2.008) 3.267 22.200 ( -7.566 0.000 -5.994) 9.652 29.152 ( 0.535 -0.000 -3.608) 3.647 30.316 ( -4.399 0.000 2.269) 4.950 31.260 ( -6.857 0.000 1.588) 7.039 31.697 ( 3.615 -0.000 6.281) 7.247 32.276 ( 4.071 -0.000 5.608) 6.930 33.117 ( 13.383 -0.000 -6.917) 15.065 35.881 ( 5.606 -0.000 1.145) 5.722 36.051 ( -3.732 0.000 -6.703) 7.672 36.322 ( 2.553 -0.000 6.844) 7.305 36.623 ( -1.047 0.000 -2.858) 3.044 51.774 ( -16.254 0.000 14.895) 22.047 52.216 ( -0.796 0.000 -12.871) 12.896 54.508 ( 1.043 -0.000 -4.000) 4.134 54.702 ( 16.307 -0.000 1.597) 16.385 56.034 ( 4.789 -0.000 -9.926) 11.021 56.413 ( 4.349 -0.000 11.078) 11.901 57.523 ( 0.303 -0.000 3.727) 3.740 58.377 ( -8.713 0.000 -4.230) 9.685 60.366 ( 2.355 -0.000 -7.933) 8.275 60.617 ( -5.401 0.000 3.662) 6.525 ======================= Grid point 336 (156/355) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( -3.438 0.979 14.819) 15.244 5.222 ( 17.880 3.119 -14.355) 23.141 5.379 ( 19.963 21.527 7.018) 30.186 5.609 ( -21.635 8.005 -0.978) 23.090 6.303 ( 23.129 -17.388 4.839) 29.338 8.788 ( 9.812 0.486 -7.618) 12.431 9.536 ( 2.553 7.070 -6.749) 10.102 9.843 ( 10.193 -4.078 -6.142) 12.580 10.648 ( -2.247 9.353 -3.946) 10.397 10.870 ( -1.888 -7.130 -8.648) 11.367 11.575 ( 9.445 3.041 13.816) 17.010 11.871 ( 3.306 -8.567 0.121) 9.183 12.645 ( -5.011 -0.433 -1.615) 5.283 14.850 ( -5.986 -0.776 -17.699) 18.700 16.491 ( 9.913 -0.863 10.714) 14.622 17.639 ( 14.944 12.416 -0.899) 19.450 18.310 ( 15.877 -5.237 15.524) 22.814 19.123 ( -12.056 -5.472 21.060) 24.876 19.897 ( 4.896 3.624 -8.063) 10.105 20.419 ( -11.011 -5.027 -12.702) 17.546 21.881 ( -5.025 2.046 -4.580) 7.100 22.038 ( -7.992 2.317 -3.228) 8.925 29.180 ( 6.125 -0.244 -2.645) 6.677 30.272 ( -1.123 1.947 0.661) 2.343 31.184 ( -8.010 -2.881 2.371) 8.837 31.763 ( -1.086 -0.356 5.614) 5.730 32.359 ( 2.399 0.263 5.552) 6.054 33.277 ( 14.852 -0.736 -8.229) 16.995 35.925 ( -1.649 2.207 -4.326) 5.129 35.988 ( 2.487 -1.842 -0.709) 3.175 36.379 ( 0.999 2.384 6.057) 6.586 36.582 ( -3.279 -1.739 -2.458) 4.452 51.601 ( -15.344 3.805 10.930) 19.219 52.160 ( 1.048 -3.942 -11.795) 12.480 54.491 ( 2.519 2.631 -2.202) 4.257 54.966 ( 16.601 0.173 2.055) 16.729 56.032 ( 3.813 0.416 -8.627) 9.441 56.427 ( -6.327 -0.047 1.275) 6.455 57.675 ( 10.276 -0.821 12.067) 15.871 58.233 ( -8.001 -1.509 -4.374) 9.243 60.296 ( 2.069 8.281 -4.022) 9.435 60.618 ( -4.721 -8.062 1.010) 9.397 ======================= Grid point 337 (157/355) ======================= q-point: (-0.58 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.015 ( -10.139 8.158 24.186) 27.464 5.072 ( -12.581 5.674 -16.353) 21.399 5.282 ( 15.915 23.801 -3.514) 28.847 5.583 ( 17.111 5.146 8.122) 19.627 6.760 ( 17.498 -2.539 4.764) 18.311 8.867 ( 7.413 -0.042 -4.080) 8.462 9.423 ( -0.575 10.640 -4.782) 11.680 9.837 ( -4.799 3.059 -9.804) 11.336 10.420 ( -11.476 -8.116 -8.211) 16.278 10.925 ( 9.814 7.148 -3.117) 12.535 11.682 ( 4.709 5.218 4.391) 8.288 12.227 ( 15.839 -12.399 12.120) 23.484 12.591 ( -1.795 -1.633 -1.603) 2.909 14.643 ( -6.531 -1.178 -15.911) 17.239 16.585 ( -4.159 -0.363 7.263) 8.378 17.678 ( 9.214 13.297 4.994) 16.930 18.599 ( 10.505 11.924 7.692) 17.655 19.313 ( 5.846 -15.027 16.868) 23.335 19.848 ( 2.299 4.127 -5.577) 7.309 20.346 ( -2.585 -12.948 -9.552) 16.297 21.720 ( -7.322 3.019 -6.826) 10.456 21.872 ( -7.955 3.146 -1.450) 8.676 29.301 ( 11.040 -1.082 -0.969) 11.135 30.255 ( 2.872 2.350 -1.346) 3.947 31.121 ( -9.585 -4.751 3.010) 11.114 31.741 ( -6.283 0.380 3.487) 7.196 32.420 ( 1.069 0.117 5.591) 5.693 33.449 ( 16.155 0.043 -9.246) 18.614 35.818 ( -4.920 0.444 -4.748) 6.852 36.058 ( 3.908 0.268 1.188) 4.093 36.384 ( -0.365 2.426 2.880) 3.783 36.535 ( -4.454 -1.630 -0.737) 4.800 51.417 ( -12.644 3.353 8.612) 15.662 52.163 ( 2.092 -5.178 -10.238) 11.662 54.492 ( 3.692 3.487 -0.328) 5.089 55.191 ( 15.395 4.745 3.185) 16.421 55.989 ( -0.815 3.481 -6.106) 7.076 56.345 ( -3.940 -3.457 -2.278) 5.715 57.937 ( 10.708 -1.125 11.729) 15.922 58.117 ( -6.868 -2.345 -4.585) 8.584 60.206 ( 1.649 8.138 -0.630) 8.327 60.654 ( -4.432 -8.469 -0.720) 9.586 ======================= Grid point 338 (158/355) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.537 ( -19.833 18.060 1.315) 26.856 5.004 ( -15.248 14.866 27.755) 34.983 5.240 ( 20.986 15.017 -7.096) 26.764 5.866 ( 23.773 7.824 5.180) 25.558 6.936 ( 10.590 12.569 4.457) 17.029 8.951 ( 6.899 4.059 -0.056) 8.004 9.105 ( -18.018 12.726 -0.948) 22.079 9.685 ( 0.352 -2.965 -15.219) 15.509 10.392 ( -5.239 -10.554 -4.031) 12.453 10.907 ( 8.371 15.723 -0.747) 17.828 11.665 ( -0.255 6.053 -0.371) 6.070 12.538 ( -1.952 -8.084 1.871) 8.525 12.742 ( 16.636 -3.086 10.734) 20.037 14.513 ( -1.117 -2.817 -8.804) 9.311 16.527 ( -7.092 1.333 3.012) 7.820 17.662 ( -0.084 9.161 10.978) 14.298 18.470 ( 1.174 21.124 -3.374) 21.424 19.657 ( 7.480 -0.436 -0.070) 7.493 19.953 ( 12.238 -12.778 9.593) 20.126 20.481 ( 3.104 -15.402 -6.158) 16.875 21.507 ( -8.699 3.497 -8.575) 12.706 21.714 ( -7.854 2.602 -0.508) 8.290 29.510 ( 14.781 -2.282 0.587) 14.967 30.284 ( 6.495 1.814 -2.903) 7.342 31.054 ( -11.271 -5.843 3.031) 13.052 31.623 ( -10.314 1.201 0.987) 10.430 32.464 ( -0.392 0.163 5.626) 5.642 33.610 ( 16.460 1.798 -10.494) 19.603 35.716 ( -5.545 -0.994 -3.136) 6.448 36.101 ( 2.584 2.255 1.714) 3.834 36.351 ( -2.359 0.834 -1.730) 3.042 36.490 ( -3.478 -0.575 1.887) 3.998 51.282 ( -9.916 1.271 8.608) 13.193 52.199 ( 3.318 -5.419 -8.968) 10.991 54.511 ( 4.793 4.315 1.458) 6.612 55.339 ( 12.329 9.771 5.444) 16.647 55.840 ( -5.622 6.529 -3.607) 9.340 56.401 ( 3.620 -8.592 -2.908) 9.766 58.018 ( -5.939 -2.328 -5.473) 8.405 58.145 ( 6.772 -0.462 7.636) 10.217 60.141 ( 1.533 7.165 1.220) 7.428 60.677 ( -4.613 -7.504 -0.941) 8.859 ======================= Grid point 339 (159/355) ======================= q-point: (-0.42 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( -12.293 21.853 12.125) 27.851 4.693 ( -14.847 27.759 25.028) 40.217 5.368 ( 14.912 9.509 4.629) 18.282 6.106 ( 17.744 12.300 5.332) 22.238 6.851 ( 7.744 26.428 3.047) 27.707 8.556 ( -19.938 23.806 6.037) 31.634 9.100 ( 1.999 -8.112 2.048) 8.602 9.680 ( 7.014 -4.932 -17.798) 19.756 10.417 ( -4.848 -7.836 -0.223) 9.217 10.810 ( 8.096 18.206 -1.007) 19.950 11.512 ( -5.746 10.681 -1.469) 12.217 12.612 ( -0.878 -9.516 -2.550) 9.891 13.018 ( 8.310 3.299 12.298) 15.204 14.581 ( 7.475 -4.263 1.738) 8.780 16.401 ( -5.315 3.920 -3.280) 7.374 17.611 ( -11.144 2.845 15.809) 19.550 18.190 ( 6.015 22.551 -8.818) 24.950 19.686 ( 2.795 2.366 -0.337) 3.677 20.430 ( 16.723 -14.552 6.615) 23.134 20.643 ( -1.615 -13.045 -6.012) 14.454 21.291 ( -4.515 4.495 -8.132) 10.330 21.587 ( -6.803 -0.526 0.141) 6.825 29.785 ( 16.803 -3.290 1.446) 17.183 30.355 ( 8.025 0.997 -3.203) 8.698 30.974 ( -11.905 -6.485 2.105) 13.719 31.440 ( -12.292 1.281 -0.753) 12.382 32.476 ( -2.326 1.137 5.276) 5.877 33.731 ( 15.075 3.549 -12.755) 20.064 35.641 ( -5.153 -2.185 -1.218) 5.729 36.099 ( 0.105 3.459 0.628) 3.517 36.277 ( -2.614 2.074 -1.689) 3.740 36.479 ( -1.785 -1.676 1.537) 2.891 51.218 ( -7.569 -1.153 9.948) 12.553 52.264 ( 4.439 -5.511 -7.687) 10.448 54.549 ( 5.795 5.096 3.296) 8.392 55.385 ( 5.126 13.217 8.391) 16.474 55.657 ( -3.334 6.990 -3.360) 8.442 56.592 ( 7.478 -11.417 -1.982) 13.791 57.916 ( -4.920 -1.180 -6.663) 8.366 58.255 ( 2.245 -0.638 3.720) 4.392 60.090 ( 1.525 7.504 2.358) 8.012 60.687 ( -4.465 -6.522 -0.949) 7.961 ======================= Grid point 340 (160/355) ======================= q-point: (-0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.858 ( -1.009 23.824 25.505) 34.916 4.301 ( -13.854 31.236 27.071) 43.594 5.460 ( 10.395 19.539 12.889) 25.612 6.052 ( -6.179 17.679 3.344) 19.024 6.675 ( 16.488 28.903 -3.707) 33.481 8.065 ( -14.818 26.321 16.093) 34.225 9.248 ( -0.431 -9.719 5.365) 11.110 9.745 ( 9.873 -7.083 -20.334) 23.688 10.408 ( -5.031 1.189 2.032) 5.554 10.738 ( 10.287 12.328 -2.107) 16.194 11.266 ( -6.349 12.583 2.135) 14.255 12.678 ( -2.368 -9.179 -6.724) 11.622 13.105 ( 2.776 6.916 11.441) 13.654 14.777 ( 7.124 0.137 7.444) 10.304 16.252 ( 0.781 7.537 -7.633) 10.755 17.436 ( -16.465 4.763 6.432) 18.307 18.108 ( 11.009 8.189 4.906) 14.571 19.700 ( 2.603 3.246 2.132) 4.675 20.581 ( -16.684 -10.312 -11.612) 22.793 20.804 ( 11.444 -7.984 -1.855) 14.076 21.228 ( 6.316 2.309 -0.228) 6.728 21.563 ( -1.129 -6.008 0.120) 6.114 30.084 ( 16.292 -3.543 1.604) 16.750 30.424 ( 2.900 -0.156 -1.429) 3.236 30.912 ( -6.717 -6.496 -0.162) 9.346 31.240 ( -11.999 0.423 -1.524) 12.103 32.435 ( -4.476 3.231 4.509) 7.128 33.775 ( 11.096 4.984 -16.301) 20.339 35.604 ( -3.399 -2.614 0.638) 4.335 36.014 ( -4.301 4.049 -2.255) 6.323 36.243 ( 2.630 3.472 2.300) 4.926 36.484 ( -1.781 -2.393 -0.415) 3.012 51.225 ( -5.726 -3.525 11.762) 13.548 52.352 ( 4.995 -5.850 -6.323) 9.958 54.606 ( 6.771 5.580 5.338) 10.270 55.252 ( -7.438 13.402 5.838) 16.402 55.577 ( 5.016 7.943 0.740) 9.423 56.803 ( 3.351 -10.178 -4.785) 11.735 57.845 ( 1.249 -1.458 -4.709) 5.085 58.293 ( -1.331 -2.435 1.463) 3.137 60.040 ( 1.690 8.420 4.073) 9.505 60.690 ( -3.408 -5.454 -1.945) 6.719 ======================= Grid point 341 (161/355) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 0.181 21.483 37.504) 43.221 3.971 ( -2.895 33.214 28.947) 44.153 5.226 ( -6.657 44.938 21.303) 50.175 5.795 ( 0.089 8.389 -2.745) 8.827 6.528 ( 7.128 18.900 -12.053) 23.522 7.771 ( 1.417 31.285 27.803) 41.878 9.380 ( -3.638 -9.730 6.570) 12.291 9.841 ( 8.264 -8.821 -18.685) 22.254 10.209 ( -9.374 13.173 -2.342) 16.337 10.787 ( 14.532 10.776 -3.082) 18.352 11.169 ( 2.029 2.023 10.875) 11.247 12.644 ( -5.600 -5.130 -10.566) 13.012 13.139 ( 2.286 6.185 11.548) 13.298 14.755 ( -6.083 10.616 -2.892) 12.573 16.191 ( 10.498 10.419 -1.106) 14.832 17.179 ( -8.499 7.696 -3.635) 12.028 18.337 ( 3.469 -11.272 20.403) 23.566 19.699 ( 1.539 6.139 3.850) 7.408 20.340 ( -19.342 -11.978 -13.071) 26.238 20.927 ( 9.479 2.238 -8.904) 13.197 21.366 ( 2.014 -8.428 4.359) 9.700 21.691 ( 7.691 -6.637 -1.011) 10.209 30.293 ( -1.504 -0.665 2.662) 3.129 30.435 ( 2.762 -4.956 -0.885) 5.743 30.960 ( 5.075 -2.643 -1.312) 5.870 31.085 ( -7.198 -3.040 -1.926) 8.048 32.330 ( -6.247 5.962 3.804) 9.436 33.693 ( 4.704 7.552 -19.635) 21.557 35.616 ( -0.313 -2.463 1.895) 3.124 35.878 ( -4.445 4.582 -1.819) 6.638 36.288 ( 5.891 3.122 2.911) 7.274 36.474 ( -1.983 -1.895 -1.896) 3.334 51.295 ( -4.519 -5.835 13.460) 15.351 52.458 ( 4.561 -6.629 -4.990) 9.468 54.690 ( 6.971 4.976 7.548) 11.416 54.982 ( -10.659 13.360 3.446) 17.435 55.572 ( 4.547 8.621 3.248) 10.273 56.761 ( -7.732 0.843 -14.220) 16.208 57.989 ( 9.336 -7.456 2.876) 12.289 58.323 ( -0.577 -6.999 0.127) 7.024 60.000 ( 1.094 7.548 6.400) 9.957 60.697 ( -0.353 -4.065 -3.723) 5.524 ======================= Grid point 342 (162/355) ======================= q-point: (-0.17 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( -10.125 42.580 25.185) 50.496 3.781 ( -5.871 19.448 40.618) 45.415 4.920 ( 14.903 28.833 29.512) 43.868 5.727 ( 5.732 11.442 -1.888) 12.936 6.271 ( -2.646 12.452 -14.057) 18.965 7.720 ( 13.747 31.739 30.643) 46.209 9.435 ( -7.446 -4.957 2.255) 9.225 9.862 ( -11.185 5.296 3.852) 12.961 9.958 ( 7.906 -3.776 -18.951) 20.879 10.813 ( 15.400 16.695 -3.719) 23.016 11.398 ( 8.790 -7.825 12.823) 17.404 12.517 ( -5.269 -1.640 -11.300) 12.576 13.189 ( 3.344 5.462 11.482) 13.147 14.351 ( -14.002 17.780 -14.321) 26.782 16.255 ( 11.851 11.627 5.980) 17.647 16.942 ( -2.410 11.918 -9.663) 15.531 18.674 ( -9.191 -20.794 25.550) 34.200 19.648 ( -0.217 8.611 4.872) 9.897 20.173 ( -15.585 -17.084 -11.350) 25.760 21.021 ( 15.262 -1.198 -8.387) 17.456 21.483 ( -4.201 -9.993 1.458) 10.937 21.897 ( 10.169 -6.902 -2.423) 12.527 30.129 ( -18.365 -0.942 1.948) 18.492 30.555 ( -1.176 -6.244 -1.076) 6.444 30.999 ( 7.122 3.243 -0.554) 7.845 31.193 ( 9.437 -7.457 -0.743) 12.051 32.170 ( -7.141 8.521 3.796) 11.747 33.468 ( -0.030 11.949 -19.362) 22.752 35.678 ( 2.565 -2.513 2.161) 4.191 35.767 ( -2.254 3.884 -0.559) 4.525 36.357 ( 4.067 1.230 -0.135) 4.251 36.460 ( 1.598 0.122 -1.091) 1.939 51.413 ( -4.232 -8.082 14.757) 17.349 52.568 ( 2.764 -7.511 -3.998) 8.947 54.634 ( -14.366 8.748 4.118) 17.317 54.858 ( 11.463 7.552 8.388) 16.087 55.515 ( 0.124 11.343 2.375) 11.590 56.463 ( -5.467 9.394 -17.163) 20.315 58.119 ( -5.422 -5.319 1.508) 7.744 58.548 ( 10.150 -14.275 1.090) 17.549 59.989 ( -1.204 1.677 7.439) 7.721 60.736 ( 4.728 -2.292 -4.702) 7.051 ======================= Grid point 343 (163/355) ======================= q-point: (-0.08 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -12.980 36.111 18.912) 42.781 3.873 ( 1.619 12.366 46.362) 48.010 5.276 ( 28.237 9.811 28.282) 41.152 5.636 ( 5.545 16.588 1.404) 17.546 5.991 ( -1.991 10.890 -15.691) 19.203 7.810 ( 17.128 24.827 26.381) 40.071 9.274 ( -9.288 3.283 -7.138) 12.166 9.778 ( -2.836 -1.759 7.167) 7.906 10.027 ( 5.634 -5.392 -11.467) 13.868 10.803 ( 13.990 16.379 -3.695) 21.855 11.649 ( 0.023 -6.802 5.836) 8.962 12.447 ( 4.304 -1.832 -6.619) 8.105 13.275 ( 4.910 3.963 11.560) 13.170 13.835 ( -9.946 17.934 -13.678) 24.650 16.276 ( 4.465 15.005 3.755) 16.099 16.721 ( 3.944 10.290 -10.166) 14.993 18.837 ( -17.024 -11.973 19.269) 28.363 19.564 ( -3.853 7.573 7.094) 11.069 20.105 ( -13.468 -17.714 -9.076) 24.032 21.289 ( 14.883 -10.530 -6.762) 19.445 21.514 ( -5.310 -8.323 -0.059) 9.873 22.105 ( 8.223 -9.683 -5.539) 13.859 29.859 ( -20.387 -0.583 0.900) 20.415 30.528 ( -9.512 -6.180 -0.776) 11.370 31.129 ( 13.650 2.804 0.363) 13.940 31.430 ( 11.223 -5.373 0.517) 12.454 31.987 ( -6.511 9.478 5.024) 12.548 33.185 ( 0.947 14.495 -14.912) 20.817 35.699 ( -0.661 2.053 0.546) 2.224 35.790 ( 4.982 -2.651 1.960) 5.974 36.347 ( -1.876 -0.795 -3.934) 4.431 36.524 ( 7.857 2.292 -0.009) 8.185 51.560 ( -5.142 -9.915 15.599) 19.185 52.648 ( -0.616 -7.076 -3.739) 8.027 54.351 ( -11.715 8.213 3.193) 14.659 55.041 ( 10.510 2.521 9.277) 14.244 55.333 ( 0.497 18.397 0.754) 18.419 56.225 ( 3.187 8.963 -13.412) 16.443 58.058 ( -10.938 -5.722 -1.028) 12.387 58.800 ( 4.089 -7.183 -1.106) 8.339 60.038 ( -3.605 -8.501 5.032) 10.516 60.817 ( 7.535 -0.386 -4.097) 8.586 ======================= Grid point 348 (164/355) ======================= q-point: ( 0.33 0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.010 ( -1.900 0.000 5.700) 6.008 5.262 ( -29.205 0.000 7.712) 30.206 5.488 ( 25.629 -0.000 -10.480) 27.689 5.755 ( 10.618 -0.000 4.121) 11.389 6.687 ( 29.706 -0.000 8.644) 30.938 8.860 ( 5.310 -0.000 -3.516) 6.368 9.542 ( 1.236 -0.000 -6.576) 6.691 9.956 ( 9.139 -0.000 -3.442) 9.766 10.259 ( -28.260 0.000 -16.791) 32.872 10.998 ( 15.235 -0.000 -4.267) 15.821 11.860 ( 5.602 -0.000 -0.780) 5.656 11.972 ( 17.248 -0.000 21.384) 27.473 12.572 ( -1.964 0.000 -1.326) 2.369 14.623 ( -7.054 0.000 -16.486) 17.932 16.582 ( -3.785 0.000 8.890) 9.663 17.859 ( 6.879 -0.000 -3.231) 7.599 18.795 ( 31.167 -0.000 19.845) 36.949 19.056 ( -8.366 0.000 15.056) 17.224 19.965 ( 7.283 -0.000 -6.379) 9.681 20.124 ( -10.790 0.000 -12.439) 16.466 21.753 ( -8.443 0.000 -6.893) 10.899 21.917 ( -8.320 0.000 -0.971) 8.376 29.289 ( 11.220 -0.000 -2.001) 11.397 30.286 ( 1.663 -0.000 -0.476) 1.729 31.061 ( -9.166 0.000 3.029) 9.653 31.744 ( -6.161 0.000 4.311) 7.519 32.420 ( 0.912 -0.000 5.121) 5.202 33.447 ( 17.020 -0.000 -9.078) 19.290 35.827 ( -5.660 0.000 -5.630) 7.983 36.053 ( 5.055 -0.000 0.062) 5.055 36.441 ( -0.758 0.000 6.218) 6.264 36.494 ( -4.470 0.000 -2.426) 5.086 51.464 ( -15.756 0.000 10.379) 18.868 52.094 ( 4.461 -0.000 -12.577) 13.345 54.536 ( 3.197 -0.000 -0.285) 3.210 55.250 ( 17.990 -0.000 3.437) 18.315 56.033 ( 3.632 -0.000 -8.125) 8.900 56.301 ( -9.371 0.000 -0.953) 9.419 57.924 ( 11.173 -0.000 12.577) 16.824 58.088 ( -6.721 0.000 -3.861) 7.751 60.366 ( 3.433 -0.000 -5.065) 6.119 60.487 ( -6.444 0.000 3.012) 7.114 ======================= Grid point 349 (165/355) ======================= q-point: (-0.58 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -17.017 4.684 -7.531) 19.189 5.102 ( -11.130 2.164 30.056) 32.123 5.716 ( 18.034 14.838 -5.391) 23.968 5.937 ( 17.278 -1.544 3.851) 17.769 7.127 ( 24.367 3.642 5.413) 25.225 8.901 ( -0.499 -1.648 1.807) 2.496 9.486 ( -4.458 8.168 0.094) 9.306 9.694 ( -10.659 6.345 -19.779) 23.348 10.124 ( -0.095 -10.743 -3.849) 11.412 11.144 ( 11.653 3.922 -4.560) 13.114 11.861 ( 3.859 9.261 0.274) 10.036 12.327 ( -0.807 -8.619 11.134) 14.103 12.680 ( 17.879 -1.520 7.456) 19.431 14.450 ( -3.886 -1.713 -10.158) 11.010 16.548 ( -7.435 0.444 7.244) 10.390 17.835 ( -4.498 4.243 1.311) 6.321 18.933 ( 3.088 16.427 1.939) 16.827 19.467 ( 23.660 -13.320 10.935) 29.271 19.870 ( -2.834 4.739 -4.339) 7.022 20.145 ( 5.733 -11.555 -3.905) 13.477 21.550 ( -10.992 0.601 -8.568) 13.950 21.784 ( -8.014 2.068 0.528) 8.293 29.477 ( 15.090 -0.623 -0.732) 15.120 30.320 ( 5.085 0.935 -2.046) 5.560 30.952 ( -10.953 -2.331 3.551) 11.748 31.640 ( -10.578 0.305 1.835) 10.740 32.461 ( -0.264 -0.178 4.937) 4.947 33.635 ( 17.538 0.442 -10.031) 20.209 35.705 ( -6.059 -0.106 -4.226) 7.388 36.116 ( 3.603 -0.238 -1.147) 3.789 36.398 ( -3.412 2.317 -0.148) 4.127 36.470 ( -2.818 -1.169 3.843) 4.907 51.311 ( -13.143 0.835 9.537) 16.260 52.104 ( 5.974 -2.225 -11.014) 12.726 54.587 ( 4.269 1.742 2.281) 5.144 55.509 ( 16.110 3.921 4.332) 17.137 55.987 ( -0.955 5.449 -5.540) 7.830 56.212 ( -3.895 -6.540 -1.810) 7.824 57.979 ( -5.322 -0.827 -3.963) 6.687 58.140 ( 7.466 -0.087 8.401) 11.240 60.311 ( 0.400 7.189 -0.044) 7.200 60.493 ( -3.389 -7.685 -0.094) 8.400 ======================= Grid point 350 (166/355) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( -11.046 10.933 6.794) 16.962 5.088 ( -16.162 7.085 33.098) 37.508 5.700 ( 17.070 17.756 -6.305) 25.425 6.257 ( 16.973 -0.333 3.001) 17.240 7.360 ( 18.294 15.077 3.417) 23.951 8.847 ( -17.502 -0.990 6.169) 18.584 9.186 ( -1.107 15.633 1.201) 15.718 9.592 ( 6.728 -2.347 -17.192) 18.610 10.213 ( -0.859 -8.183 -0.955) 8.283 11.172 ( 7.771 10.033 -4.180) 13.361 11.765 ( -0.080 11.011 -0.559) 11.025 12.394 ( -4.837 -8.704 0.397) 9.966 13.066 ( 16.155 0.935 15.972) 22.737 14.454 ( 4.814 -5.333 -0.215) 7.188 16.464 ( -7.205 1.558 3.412) 8.123 17.679 ( -13.089 2.510 4.198) 13.973 18.725 ( 4.085 21.123 -8.999) 23.321 19.749 ( 2.537 2.359 -1.282) 3.694 20.027 ( 12.727 -17.321 0.764) 21.508 20.384 ( 8.697 -8.367 2.981) 12.431 21.332 ( -8.510 -0.204 -7.862) 11.588 21.642 ( -7.456 3.574 1.153) 8.348 29.728 ( 17.379 -1.478 0.506) 17.449 30.384 ( 7.501 1.140 -3.149) 8.214 30.843 ( -12.454 -4.119 3.454) 13.564 31.464 ( -12.899 0.643 -0.616) 12.930 32.484 ( -1.611 -0.129 4.869) 5.130 33.793 ( 15.513 1.688 -11.720) 19.516 35.605 ( -5.149 -0.886 -2.072) 5.621 36.137 ( 0.602 0.068 -3.124) 3.183 36.333 ( -1.493 2.454 1.068) 3.065 36.460 ( -2.791 -0.259 3.228) 4.276 51.204 ( -9.959 -0.160 9.786) 13.964 52.161 ( 6.894 -3.044 -9.192) 11.886 54.650 ( 5.032 3.115 4.619) 7.507 55.666 ( 10.528 9.240 5.882) 15.193 55.822 ( -4.792 7.455 -3.409) 9.495 56.319 ( 4.151 -11.390 -1.714) 12.243 57.891 ( -4.017 -0.801 -4.778) 6.293 58.248 ( 1.898 -0.005 3.023) 3.569 60.245 ( 0.059 5.687 2.285) 6.129 60.533 ( -2.353 -6.180 -0.378) 6.624 ======================= Grid point 351 (167/355) ======================= q-point: (-0.42 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( -1.331 15.952 19.778) 25.445 4.898 ( -18.033 17.945 30.771) 39.926 5.759 ( 17.971 11.173 -2.211) 21.276 6.394 ( 1.844 6.946 3.708) 8.087 7.328 ( 7.943 23.638 -3.982) 25.253 8.580 ( -11.295 13.527 14.723) 22.963 9.153 ( 4.328 4.292 5.285) 8.068 9.615 ( 8.297 -3.471 -18.278) 20.371 10.296 ( -0.306 -7.110 2.251) 7.464 11.091 ( 4.940 13.675 -3.752) 15.016 11.593 ( -2.325 13.479 -0.293) 13.681 12.436 ( -3.798 -10.507 -3.943) 11.848 13.281 ( 5.776 7.623 16.091) 18.719 14.701 ( 11.855 -6.241 9.920) 16.670 16.362 ( -3.213 2.261 -1.965) 4.393 17.462 ( -18.197 -0.096 3.365) 18.506 18.485 ( 6.556 19.725 -8.083) 22.302 19.760 ( 2.760 1.551 0.659) 3.234 20.272 ( -6.455 -14.964 -12.359) 20.454 20.591 ( 6.386 -7.684 4.213) 10.842 21.285 ( 6.622 -0.762 -1.911) 6.934 21.507 ( -6.091 2.516 1.254) 6.709 30.016 ( 17.658 -2.090 1.216) 17.823 30.441 ( 2.671 1.383 -1.713) 3.462 30.756 ( -8.149 -6.088 1.212) 10.245 31.258 ( -12.121 0.717 -2.203) 12.341 32.479 ( -3.356 0.744 4.644) 5.778 33.870 ( 10.791 3.051 -14.119) 18.031 35.555 ( -2.531 -1.482 0.218) 2.941 36.082 ( -2.812 1.479 -4.543) 5.543 36.319 ( 1.832 2.856 2.981) 4.516 36.446 ( -2.224 -0.786 1.605) 2.853 51.161 ( -7.248 -1.816 10.599) 12.968 52.246 ( 7.390 -3.275 -7.602) 11.096 54.723 ( 5.209 3.945 6.688) 9.350 55.574 ( -5.859 13.211 1.920) 14.579 55.754 ( 5.918 6.695 2.127) 9.186 56.535 ( 5.704 -11.853 -0.944) 13.188 57.822 ( -0.998 -0.617 -5.215) 5.345 58.248 ( -3.369 -1.337 -0.860) 3.725 60.203 ( 0.081 5.282 3.590) 6.387 60.567 ( -1.193 -4.613 -0.565) 4.798 ======================= Grid point 352 (168/355) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( -1.580 19.130 33.015) 38.189 4.649 ( -4.672 22.736 24.594) 33.817 5.885 ( 14.317 10.244 4.053) 18.064 6.171 ( -14.251 20.448 5.934) 25.620 6.985 ( -6.721 20.263 -14.450) 25.779 8.467 ( 8.197 24.661 21.617) 33.803 9.220 ( 0.167 -1.653 7.569) 7.749 9.661 ( 8.158 -5.543 -18.632) 21.081 10.384 ( 0.245 -0.516 2.092) 2.169 10.968 ( 2.952 9.930 -1.036) 10.411 11.423 ( 2.261 13.723 2.287) 14.095 12.456 ( -4.658 -9.739 -8.440) 13.703 13.333 ( 1.610 9.832 17.140) 19.825 14.937 ( 4.376 3.688 7.716) 9.607 16.346 ( 8.068 1.678 -1.832) 8.442 17.209 ( -18.233 -1.778 -0.018) 18.320 18.366 ( 5.455 11.096 1.514) 12.457 19.786 ( 1.307 -0.518 -2.251) 2.654 20.081 ( -19.876 -7.520 -10.511) 23.708 20.832 ( 8.236 -10.524 -2.688) 13.631 21.327 ( -0.605 4.787 0.936) 4.915 21.547 ( 9.128 -5.087 0.904) 10.489 30.282 ( 11.790 -0.954 0.989) 11.870 30.361 ( -9.860 -0.463 1.745) 10.024 30.811 ( 3.837 -7.787 -2.090) 8.930 31.089 ( -5.724 1.219 -2.641) 6.421 32.428 ( -5.188 2.508 4.274) 7.174 33.833 ( 4.680 4.459 -16.202) 17.444 35.569 ( 0.943 -1.457 1.687) 2.420 35.974 ( -3.648 3.148 -3.914) 6.208 36.349 ( 2.881 2.004 2.740) 4.452 36.439 ( -0.637 -0.820 0.416) 1.119 51.179 ( -5.356 -3.725 11.250) 13.004 52.345 ( 7.214 -3.351 -6.307) 10.151 54.797 ( 3.871 3.924 8.372) 10.024 55.319 ( -7.138 14.275 0.909) 15.986 55.770 ( 4.825 7.809 4.347) 10.156 56.680 ( -0.798 -6.772 -5.055) 8.489 57.853 ( 6.391 -3.869 -1.676) 7.657 58.191 ( -6.610 -4.437 -2.783) 8.434 60.159 ( -1.551 5.497 4.518) 7.283 60.608 ( 1.713 -3.255 -1.566) 3.998 ======================= Grid point 353 (169/355) ======================= q-point: (-0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( -12.376 18.802 39.712) 45.648 4.595 ( 7.602 29.127 21.335) 36.897 5.631 ( -14.965 28.737 9.232) 33.690 5.988 ( 8.570 9.556 4.462) 13.590 6.573 ( -6.426 13.031 -13.981) 20.163 8.464 ( 14.105 29.219 19.849) 38.036 9.294 ( -2.203 -4.889 6.204) 8.200 9.727 ( 5.769 -7.227 -13.856) 16.658 10.211 ( -8.918 14.344 -4.799) 17.559 11.037 ( 11.551 0.512 1.725) 11.691 11.390 ( 6.641 7.815 6.893) 12.357 12.415 ( -3.964 -6.355 -11.014) 13.319 13.362 ( 0.924 8.971 18.843) 20.890 14.779 ( -7.291 16.961 -7.312) 19.857 16.502 ( 14.416 7.357 5.377) 17.055 17.019 ( -10.801 -5.191 -4.095) 12.664 18.384 ( -2.539 -1.114 13.821) 14.096 19.718 ( -13.989 -14.716 -16.646) 26.255 19.891 ( -4.282 5.061 5.816) 8.819 21.012 ( 9.777 -4.400 -8.472) 13.665 21.287 ( -3.365 -2.794 2.276) 4.931 21.757 ( 9.933 -4.638 -0.857) 10.996 30.130 ( -17.388 0.951 2.136) 17.545 30.443 ( 0.805 -2.953 -0.943) 3.203 30.980 ( 6.240 -8.329 -0.380) 10.414 31.078 ( 9.868 1.305 -2.147) 10.182 32.327 ( -6.602 4.739 4.076) 9.092 33.683 ( -0.011 6.573 -16.692) 17.939 35.633 ( 3.469 -1.266 2.011) 4.205 35.860 ( -2.758 3.673 -2.548) 5.252 36.363 ( -1.047 -0.274 -0.517) 1.199 36.475 ( 4.967 0.903 1.591) 5.293 51.244 ( -4.434 -5.809 11.382) 13.526 52.444 ( 6.157 -3.455 -5.237) 8.790 54.806 ( -6.440 5.635 6.873) 10.975 55.101 ( 1.467 12.198 3.598) 12.802 55.764 ( 3.615 9.499 5.077) 11.362 56.594 ( -5.227 1.817 -11.008) 12.321 57.991 ( -3.098 -5.292 -0.438) 6.148 58.220 ( 5.651 -12.166 -0.217) 13.416 60.081 ( -4.906 4.892 4.358) 8.185 60.682 ( 5.908 -2.196 -2.254) 6.694 ======================= Grid point 354 (170/355) ======================= q-point: (-0.17 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( -18.216 37.477 13.754) 43.881 4.172 ( -10.527 20.528 41.641) 47.605 5.484 ( 12.898 8.793 9.839) 18.453 5.953 ( -5.305 8.237 6.373) 11.688 6.342 ( 10.978 16.658 -7.671) 21.374 8.439 ( 10.883 26.821 16.361) 33.248 9.324 ( -3.133 -0.562 -1.394) 3.475 9.758 ( -6.318 -2.147 0.116) 6.674 9.938 ( 3.113 3.694 -10.250) 11.331 11.151 ( 12.703 9.559 -6.238) 17.078 11.504 ( 0.840 -4.334 8.331) 9.428 12.391 ( 4.188 -2.785 -7.297) 8.862 13.405 ( -0.399 6.917 18.091) 19.373 14.333 ( -7.031 22.844 -12.677) 27.055 16.591 ( 7.550 11.092 7.660) 15.450 16.897 ( -4.180 2.282 -12.020) 12.929 18.506 ( -9.913 -11.806 23.653) 28.233 19.613 ( -12.810 -20.226 -14.752) 28.121 19.819 ( -1.249 9.713 7.079) 12.084 21.146 ( 12.199 -3.451 -10.062) 16.186 21.312 ( -3.824 -7.127 1.162) 8.172 21.924 ( 6.407 -5.588 -2.870) 8.973 29.863 ( -18.728 1.099 1.686) 18.836 30.407 ( -7.638 -3.755 -2.114) 8.770 31.171 ( 12.711 -0.431 -0.039) 12.719 31.282 ( 12.547 -5.805 0.546) 13.835 32.185 ( -7.276 6.752 4.455) 10.880 33.466 ( -1.070 8.975 -15.095) 17.594 35.711 ( 2.158 -0.915 1.576) 2.824 35.790 ( 1.314 2.371 -0.773) 2.819 36.330 ( -2.470 -0.535 -2.211) 3.358 36.564 ( 6.957 1.164 0.938) 7.116 51.341 ( -4.495 -7.971 11.091) 14.379 52.529 ( 4.123 -3.385 -4.329) 6.870 54.573 ( -12.720 9.973 3.174) 16.472 55.128 ( 6.175 4.654 6.886) 10.354 55.714 ( 4.142 13.602 5.088) 15.102 56.406 ( -1.404 5.797 -11.698) 13.131 57.912 ( -11.799 -6.333 -3.310) 13.794 58.535 ( 9.696 -13.466 1.704) 16.681 59.973 ( -7.120 1.912 3.464) 8.145 60.795 ( 8.123 -1.439 -2.219) 8.543 ======================= Grid point 355 (171/355) ======================= q-point: (-0.08 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -17.155 31.679 10.509) 37.527 4.287 ( -3.068 6.579 45.866) 46.437 5.628 ( 9.859 6.878 -8.439) 14.687 5.776 ( -10.989 1.702 5.640) 12.469 6.380 ( 24.421 21.170 4.997) 32.704 8.378 ( 4.919 18.855 12.946) 23.395 9.185 ( -0.548 6.059 -11.069) 12.631 9.755 ( -1.805 -5.442 7.723) 9.619 9.986 ( 6.531 -3.347 -8.269) 11.055 11.121 ( 9.167 12.106 -8.836) 17.568 11.541 ( -7.117 -4.524 1.242) 8.524 12.514 ( 11.027 -1.290 -1.883) 11.260 13.348 ( -11.249 6.381 3.409) 13.375 14.046 ( 11.923 17.912 5.634) 22.243 16.509 ( -2.673 18.935 -2.069) 19.234 16.749 ( 2.760 -1.634 -8.733) 9.303 18.636 ( -13.972 -8.551 23.366) 28.536 19.591 ( -6.320 -11.162 -9.379) 15.890 19.730 ( -4.933 2.762 5.317) 7.761 21.237 ( -3.071 -5.771 -6.608) 9.295 21.422 ( 9.465 -8.471 -3.122) 13.081 22.043 ( 3.045 -7.559 -4.653) 9.384 29.595 ( -16.837 1.317 1.043) 16.921 30.322 ( -8.131 -4.632 -1.823) 9.534 31.351 ( 12.188 1.599 0.542) 12.304 31.537 ( 10.830 -5.275 1.302) 12.116 32.030 ( -6.462 7.153 6.040) 11.375 33.255 ( 1.429 9.878 -12.120) 15.701 35.714 ( -0.333 0.676 0.863) 1.146 35.859 ( 5.851 -1.381 1.354) 6.163 36.280 ( -2.427 -0.198 -2.823) 3.728 36.650 ( 6.243 1.351 -0.597) 6.416 51.452 ( -5.377 -9.830 10.648) 15.457 52.577 ( 1.200 -2.378 -3.625) 4.498 54.319 ( -8.733 7.795 2.675) 12.008 55.158 ( -1.406 4.127 1.380) 4.573 55.689 ( 11.965 14.255 7.523) 20.074 56.284 ( 3.429 5.760 -7.878) 10.344 57.780 ( -13.115 -6.819 -4.131) 15.349 58.761 ( 3.237 -6.587 -1.585) 7.509 59.907 ( -6.012 -4.522 2.775) 8.018 60.903 ( 6.675 -0.128 -1.946) 6.954 ======================= Grid point 361 (172/355) ======================= q-point: ( 0.42 -0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.625 ( -9.600 0.000 3.500) 10.218 5.164 ( -12.516 0.000 32.728) 35.040 6.035 ( 6.403 -0.000 3.848) 7.470 6.142 ( 21.781 -0.000 -7.563) 23.057 7.541 ( 22.545 -0.000 2.113) 22.644 8.823 ( -13.783 0.000 9.325) 16.641 9.420 ( -7.003 0.000 -4.625) 8.392 9.568 ( 6.676 -0.000 -12.595) 14.254 10.089 ( 2.490 -0.000 -1.046) 2.700 11.281 ( 8.689 -0.000 -5.518) 10.293 11.960 ( 2.631 -0.000 -4.430) 5.153 12.242 ( -8.281 0.000 5.592) 9.992 13.075 ( 21.212 -0.000 17.593) 27.559 14.381 ( 2.386 -0.000 -1.181) 2.662 16.482 ( -8.265 0.000 5.938) 10.177 17.712 ( -14.140 0.000 -0.724) 14.159 19.058 ( 2.969 -0.000 -9.199) 9.666 19.694 ( 13.465 -0.000 -4.872) 14.320 19.832 ( -1.518 0.000 2.365) 2.811 20.273 ( 15.459 -0.000 6.600) 16.809 21.325 ( -10.553 0.000 -7.713) 13.071 21.692 ( -7.220 0.000 1.378) 7.350 29.711 ( 17.581 -0.000 0.045) 17.581 30.399 ( 7.351 -0.000 -3.096) 7.976 30.792 ( -12.772 0.000 4.003) 13.384 31.471 ( -13.139 0.000 -0.407) 13.145 32.481 ( -1.368 0.000 4.733) 4.927 33.813 ( 15.853 -0.000 -11.424) 19.540 35.595 ( -5.195 0.000 -2.509) 5.769 36.132 ( 1.092 -0.000 -4.011) 4.157 36.368 ( -1.647 0.000 1.019) 1.937 36.457 ( -2.974 0.000 4.426) 5.333 51.203 ( -10.975 0.000 9.793) 14.709 52.124 ( 7.961 -0.000 -9.654) 12.513 54.688 ( 4.522 -0.000 5.207) 6.897 55.773 ( 11.082 -0.000 2.770) 11.423 56.034 ( 4.842 -0.000 -4.405) 6.546 56.065 ( -5.606 0.000 1.455) 5.791 57.881 ( -3.724 0.000 -4.123) 5.556 58.249 ( 1.812 -0.000 2.675) 3.231 60.349 ( -5.402 0.000 3.348) 6.355 60.420 ( 3.376 -0.000 -1.199) 3.583 ======================= Grid point 363 (173/355) ======================= q-point: (-0.50 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.592 ( 0.360 5.015 14.736) 15.570 5.166 ( -16.111 5.226 35.062) 38.938 6.062 ( 11.717 12.662 -2.142) 17.384 6.379 ( 7.533 -6.466 -5.443) 11.322 7.704 ( 4.246 7.345 -7.078) 11.049 8.734 ( -5.487 2.592 19.721) 20.633 9.351 ( 6.222 6.031 -5.468) 10.247 9.599 ( 6.975 2.110 -5.391) 9.065 10.134 ( 0.084 -5.205 0.117) 5.207 11.315 ( 4.867 4.715 -5.751) 8.888 11.878 ( -0.772 9.526 -3.162) 10.067 12.200 ( -7.163 -8.422 -0.802) 11.085 13.444 ( 11.833 4.753 21.650) 25.127 14.538 ( 11.656 -5.277 8.955) 15.618 16.389 ( -7.825 0.404 2.626) 8.264 17.464 ( -15.895 0.148 -4.456) 16.508 18.920 ( 2.335 13.531 -12.136) 18.325 19.755 ( 0.327 -2.611 -8.988) 9.365 19.949 ( 4.422 -8.570 2.182) 9.887 20.469 ( 1.479 -2.510 1.766) 3.407 21.239 ( 4.855 -1.497 -0.277) 5.088 21.590 ( -5.894 2.458 1.113) 6.482 29.984 ( 18.425 -0.613 0.942) 18.460 30.479 ( 5.936 1.356 -3.368) 6.959 30.641 ( -12.536 -3.041 3.590) 13.389 31.268 ( -12.312 0.188 -2.334) 12.532 32.485 ( -2.717 0.019 4.781) 5.499 33.920 ( 10.830 1.053 -13.361) 17.231 35.533 ( -2.028 -0.441 -0.253) 2.091 36.095 ( -1.361 0.014 -5.579) 5.743 36.373 ( 1.296 1.369 2.732) 3.319 36.438 ( -3.199 -0.129 3.183) 4.515 51.135 ( -8.113 -0.495 10.002) 12.888 52.193 ( 8.704 -1.118 -7.886) 11.798 54.787 ( 3.966 1.402 7.552) 8.644 55.815 ( -2.247 4.396 -4.011) 6.361 55.934 ( 3.339 10.135 5.188) 11.866 56.251 ( 6.942 -11.473 1.651) 13.511 57.812 ( -1.513 -0.201 -4.668) 4.911 58.228 ( -4.580 -0.409 -2.807) 5.387 60.293 ( -2.893 2.137 3.665) 5.135 60.482 ( 2.429 -2.191 0.384) 3.293 ======================= Grid point 364 (174/355) ======================= q-point: (-0.42 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( 3.617 10.726 26.327) 28.658 5.061 ( -11.854 12.152 29.072) 33.665 6.096 ( 12.455 8.812 -2.133) 15.405 6.410 ( -4.880 0.876 -0.996) 5.057 7.402 ( -16.174 11.832 -14.096) 24.501 8.854 ( 8.944 8.891 19.203) 22.974 9.349 ( 6.424 7.981 0.415) 10.254 9.629 ( 8.064 5.064 -6.728) 11.659 10.252 ( 3.634 -8.648 4.485) 10.398 11.229 ( 0.310 9.351 -5.234) 10.721 11.709 ( -2.771 10.206 -1.665) 10.706 12.206 ( -4.910 -10.735 -5.551) 13.045 13.594 ( 1.991 11.130 23.296) 25.894 14.911 ( 14.236 -5.120 15.274) 21.498 16.313 ( -2.838 -2.427 -0.453) 3.762 17.201 ( -13.298 0.841 -7.600) 15.340 18.704 ( 1.576 14.487 -7.256) 16.279 19.651 ( -13.106 -8.091 -17.189) 23.080 20.033 ( -1.219 1.440 3.912) 4.343 20.545 ( 2.103 -11.495 -0.068) 11.686 21.437 ( 12.239 -0.022 2.218) 12.439 21.484 ( -1.842 2.633 0.641) 3.277 30.261 ( 16.395 -0.378 1.243) 16.447 30.392 ( -12.173 2.285 2.585) 12.652 30.634 ( 0.782 -6.556 -2.467) 7.049 31.108 ( -4.896 0.374 -3.272) 5.900 32.463 ( -4.368 0.690 4.791) 6.520 33.912 ( 4.236 2.177 -14.786) 15.534 35.545 ( 2.178 -0.590 1.271) 2.590 36.022 ( -2.327 1.003 -5.594) 6.141 36.388 ( -1.048 1.316 2.763) 3.235 36.433 ( 1.330 0.045 2.268) 2.629 51.116 ( -5.764 -1.637 9.951) 11.616 52.287 ( 8.593 -1.556 -6.492) 10.882 54.872 ( 2.359 2.202 9.120) 9.674 55.627 ( -5.702 10.505 -2.727) 12.260 55.942 ( 4.608 6.759 5.473) 9.842 56.478 ( 4.158 -9.253 0.941) 10.188 57.795 ( 3.040 -1.270 -3.819) 5.044 58.107 ( -9.416 -2.548 -5.861) 11.380 60.256 ( -2.388 2.652 3.834) 5.237 60.547 ( 3.053 -1.793 0.495) 3.575 ======================= Grid point 365 (175/355) ======================= q-point: (-0.33 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( -14.554 17.479 37.306) 43.693 5.085 ( 13.286 13.225 17.581) 25.701 6.119 ( -7.604 4.846 0.914) 9.064 6.220 ( -3.029 15.379 3.540) 16.069 6.881 ( -15.475 11.826 -14.205) 24.107 8.994 ( 13.026 11.026 8.258) 18.959 9.321 ( -0.775 9.681 8.432) 12.862 9.635 ( 7.673 1.568 -10.165) 12.832 10.431 ( 3.318 1.147 2.723) 4.443 11.085 ( 1.064 6.656 0.741) 6.781 11.560 ( -3.250 4.960 -2.041) 6.272 12.232 ( -1.241 -8.958 -7.419) 11.697 13.612 ( -2.682 11.582 25.029) 27.709 15.106 ( 2.570 9.444 4.481) 10.764 16.454 ( 9.513 -10.949 6.543) 15.912 16.956 ( -8.896 3.237 -8.087) 12.451 18.535 ( -1.598 10.321 0.340) 10.450 19.345 ( -24.356 -13.828 -21.031) 35.025 20.037 ( 2.610 5.609 7.359) 9.614 20.760 ( 4.921 -13.654 -1.458) 14.587 21.364 ( -0.954 5.681 -2.472) 6.268 21.682 ( 11.865 -1.707 1.117) 12.039 30.173 ( -16.059 2.601 3.232) 16.586 30.411 ( 1.947 0.084 -1.858) 2.693 30.765 ( 7.604 -8.973 0.284) 11.765 31.101 ( 7.157 0.337 -3.135) 7.821 32.405 ( -5.966 2.017 4.709) 7.864 33.797 ( -0.803 3.216 -14.951) 15.314 35.615 ( 4.910 -0.273 1.543) 5.154 35.931 ( -2.431 2.102 -4.691) 5.686 36.361 ( -2.659 0.173 0.995) 2.844 36.495 ( 4.849 0.668 2.477) 5.486 51.139 ( -4.322 -3.098 9.350) 10.757 52.385 ( 7.708 -1.680 -5.573) 9.659 54.914 ( -1.866 3.518 9.138) 9.968 55.393 ( -5.083 11.331 -1.174) 12.474 55.969 ( 5.132 7.780 6.373) 11.290 56.566 ( -1.625 -3.691 -3.991) 5.674 57.877 ( -0.190 -3.889 -2.481) 4.617 57.987 ( -2.369 -7.409 -3.902) 8.702 60.194 ( -4.277 4.291 3.157) 6.831 60.631 ( 5.163 -2.145 -0.031) 5.591 ======================= Grid point 366 (176/355) ======================= q-point: (-0.25 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( -13.740 15.393 37.612) 42.900 5.098 ( -6.707 31.318 12.380) 34.337 5.722 ( -8.345 12.056 2.781) 14.924 6.080 ( -9.321 3.715 -1.793) 10.192 6.659 ( 8.012 8.820 -1.531) 12.014 9.038 ( 9.389 21.312 5.016) 23.822 9.269 ( -1.261 -1.934 3.269) 4.002 9.682 ( 5.578 -0.856 -6.069) 8.287 10.231 ( -8.439 16.370 -5.132) 19.119 11.206 ( 10.834 -2.220 3.437) 11.581 11.449 ( -7.712 -2.154 -3.163) 8.609 12.306 ( 6.415 -5.006 -4.028) 9.079 13.599 ( -5.913 9.075 24.076) 26.400 14.870 ( -3.473 20.920 -8.636) 22.897 16.750 ( -7.182 -7.588 -6.414) 12.259 16.838 ( 13.423 4.057 10.637) 17.601 18.403 ( -8.607 2.886 8.756) 12.613 19.098 ( -17.807 -21.181 -16.813) 32.379 20.049 ( 2.435 8.044 6.977) 10.923 20.960 ( 3.442 -11.212 -2.440) 11.980 21.292 ( 3.309 3.838 -5.236) 7.286 21.841 ( 7.480 -1.432 -1.390) 7.742 29.916 ( -16.757 3.381 2.924) 17.343 30.347 ( -6.757 -1.572 -3.596) 7.814 31.043 ( 13.119 -7.925 2.924) 15.603 31.229 ( 11.509 -0.609 -2.366) 11.766 32.307 ( -7.171 3.652 4.715) 9.327 33.621 ( -2.739 4.337 -14.039) 14.946 35.700 ( 4.536 0.122 1.104) 4.670 35.849 ( -0.735 2.198 -2.998) 3.789 36.324 ( -2.620 0.040 -0.130) 2.624 36.583 ( 5.994 0.540 1.643) 6.239 51.189 ( -3.772 -4.765 8.307) 10.293 52.471 ( 6.139 -1.663 -4.908) 8.034 54.804 ( -10.121 8.909 4.964) 14.368 55.256 ( 0.077 5.846 3.126) 6.630 55.988 ( 5.279 9.546 6.607) 12.753 56.493 ( -2.621 1.553 -7.844) 8.415 57.763 ( -12.313 -5.931 -5.485) 14.726 58.226 ( 11.243 -11.541 2.630) 16.326 60.071 ( -6.580 5.491 1.977) 8.795 60.747 ( 6.829 -2.639 -0.559) 7.343 ======================= Grid point 367 (177/355) ======================= q-point: (-0.17 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( -26.657 35.004 5.151) 44.299 4.503 ( -12.837 15.484 40.719) 45.416 5.726 ( 3.256 1.240 3.309) 4.805 5.864 ( -7.835 4.972 -5.389) 10.731 6.749 ( 15.229 9.554 3.519) 18.319 8.853 ( -4.413 19.966 7.628) 21.824 9.334 ( 7.875 2.691 -8.877) 12.168 9.654 ( -5.290 0.300 -0.894) 5.373 9.996 ( 3.758 5.749 -3.226) 7.588 11.266 ( -3.829 -1.258 -12.701) 13.325 11.430 ( 1.446 -3.493 4.765) 6.083 12.481 ( 11.871 -2.493 0.296) 12.133 13.521 ( -11.441 7.779 14.122) 19.770 14.529 ( 2.289 21.173 -3.602) 21.598 16.673 ( -1.730 -3.464 -8.658) 9.484 16.902 ( -1.639 12.785 3.315) 13.309 18.418 ( -8.453 -7.976 21.643) 24.566 19.087 ( -7.457 -23.719 -12.456) 27.809 19.996 ( 0.137 11.558 5.621) 12.853 21.075 ( -1.703 -7.638 -1.722) 8.013 21.321 ( 10.161 -0.561 -8.314) 13.141 21.924 ( 3.334 -2.355 -3.071) 5.108 29.655 ( -15.332 3.849 2.591) 16.019 30.241 ( -6.916 -2.339 -3.503) 8.097 31.341 ( 13.097 -4.414 2.686) 14.080 31.403 ( 10.805 -3.513 -0.327) 11.366 32.178 ( -7.800 5.009 5.189) 10.623 33.436 ( -1.708 5.230 -12.404) 13.569 35.726 ( -0.568 0.626 0.008) 0.846 35.855 ( 5.086 0.572 -0.228) 5.123 36.283 ( -2.157 0.410 -0.667) 2.295 36.671 ( 5.690 0.587 0.208) 5.724 51.255 ( -3.854 -6.535 7.269) 10.507 52.533 ( 4.026 -1.379 -4.210) 5.986 54.540 ( -11.243 10.429 2.505) 15.538 55.239 ( -0.770 2.868 3.391) 4.507 55.987 ( 5.407 9.958 4.609) 12.233 56.394 ( 0.923 3.373 -6.183) 7.103 57.625 ( -11.288 -5.840 -4.284) 13.412 58.535 ( 8.655 -11.100 1.619) 14.168 59.917 ( -7.211 4.329 1.499) 8.544 60.873 ( 6.557 -2.421 -0.978) 7.057 ======================= Grid point 368 (178/355) ======================= q-point: (-0.08 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( -20.960 26.015 4.795) 33.750 4.592 ( -7.269 4.080 45.551) 46.308 5.590 ( -13.307 2.272 -5.642) 14.631 5.776 ( 5.031 4.710 -8.537) 10.972 6.865 ( 11.827 8.713 0.577) 14.701 8.595 ( -8.795 12.878 8.290) 17.661 9.256 ( 8.237 9.554 -15.403) 19.909 9.704 ( 1.825 -9.182 3.441) 9.974 10.042 ( 7.123 1.910 -1.620) 7.551 11.117 ( -7.228 -2.990 -9.590) 12.376 11.503 ( 4.481 1.751 0.009) 4.810 12.660 ( 9.073 0.305 -0.503) 9.092 13.242 ( -15.910 10.928 -1.219) 19.340 14.486 ( 11.286 7.969 12.008) 18.304 16.557 ( -2.701 10.425 -16.919) 20.056 16.742 ( -2.063 1.636 5.922) 6.481 18.513 ( -14.774 -6.495 22.264) 27.498 19.255 ( 3.191 -20.263 -8.229) 22.102 19.865 ( -2.361 13.434 5.625) 14.754 21.074 ( -4.774 -3.542 -3.180) 6.742 21.465 ( 11.373 -4.998 -7.905) 14.725 21.966 ( 0.508 -4.381 -3.754) 5.792 29.424 ( -11.861 3.776 2.220) 12.644 30.163 ( -4.930 -3.113 -2.914) 6.518 31.523 ( 8.931 0.391 0.667) 8.964 31.631 ( 8.933 -4.924 1.551) 10.317 32.051 ( -6.394 4.303 7.222) 10.562 33.289 ( 1.383 5.247 -10.475) 11.797 35.717 ( -0.224 -0.505 1.059) 1.194 35.935 ( 4.854 -0.728 0.386) 4.924 36.245 ( -0.958 1.099 -0.571) 1.566 36.730 ( 4.030 0.964 -1.304) 4.344 51.331 ( -4.316 -8.062 6.573) 11.262 52.559 ( 1.519 -0.358 -3.373) 3.717 54.309 ( -7.293 7.004 2.129) 10.333 55.171 ( -3.718 4.692 -1.031) 6.074 55.989 ( 5.512 5.743 0.627) 7.984 56.367 ( 4.029 3.500 -0.526) 5.363 57.522 ( -7.414 -3.753 -1.726) 8.488 58.717 ( 2.414 -5.050 -2.736) 6.231 59.813 ( -4.833 -0.758 2.428) 5.462 60.969 ( 4.413 -0.911 -1.208) 4.665 ======================= Grid point 375 (179/355) ======================= q-point: (-0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( 6.783 -0.000 22.532) 23.530 5.214 ( -14.703 -0.000 34.615) 37.608 6.291 ( 0.103 -0.000 -15.875) 15.875 6.319 ( 8.924 -0.000 5.626) 10.549 7.532 ( -18.114 0.000 -14.395) 23.137 8.964 ( 7.296 -0.000 19.445) 20.769 9.424 ( 9.786 -0.000 -12.381) 15.782 9.811 ( 14.228 -0.000 13.328) 19.495 10.074 ( -2.518 -0.000 -0.913) 2.678 11.346 ( 1.122 -0.000 -6.935) 7.025 11.906 ( -1.047 -0.000 -5.195) 5.300 11.995 ( -9.901 -0.000 -2.196) 10.142 13.760 ( 1.752 -0.000 27.177) 27.234 14.812 ( 18.427 -0.000 16.179) 24.521 16.282 ( -7.909 -0.000 0.304) 7.915 17.216 ( -9.385 -0.000 -11.305) 14.693 18.917 ( -2.326 -0.000 -10.463) 10.719 19.524 ( -14.530 -0.000 -18.787) 23.750 20.069 ( 9.628 -0.000 8.237) 12.671 20.379 ( -6.329 -0.000 -1.597) 6.527 21.419 ( 15.107 -0.000 4.324) 15.714 21.538 ( -3.798 -0.000 -0.298) 3.810 30.260 ( 18.289 -0.000 1.499) 18.351 30.439 ( -15.050 -0.000 5.316) 15.961 30.534 ( 1.773 -0.000 -5.183) 5.478 31.112 ( -4.965 -0.000 -3.418) 6.028 32.470 ( -4.050 -0.000 5.006) 6.439 33.938 ( 3.997 -0.000 -14.457) 14.999 35.538 ( 2.688 -0.000 1.059) 2.889 36.032 ( -1.648 -0.000 -6.126) 6.344 36.406 ( -3.657 -0.000 2.760) 4.582 36.433 ( 3.037 -0.000 2.913) 4.208 51.097 ( -5.910 -0.000 9.535) 11.218 52.269 ( 9.051 -0.000 -6.456) 11.117 54.898 ( 1.907 -0.000 9.453) 9.643 55.761 ( -5.318 -0.000 -5.056) 7.338 56.064 ( 2.608 -0.000 5.163) 5.784 56.320 ( 7.689 -0.000 4.396) 8.857 57.781 ( 1.990 -0.000 -4.122) 4.578 58.075 ( -10.456 -0.000 -7.344) 12.777 60.288 ( -2.283 -0.000 3.694) 4.342 60.525 ( 3.262 -0.000 1.338) 3.526 ======================= Grid point 377 (180/355) ======================= q-point: (-0.42 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.982 ( -12.236 7.649 37.872) 40.528 5.290 ( 8.049 4.589 18.974) 21.115 6.130 ( -6.717 -1.290 -13.951) 15.538 6.470 ( 6.582 4.968 8.540) 11.872 7.077 ( -24.241 4.048 -15.663) 29.143 9.100 ( 4.739 1.400 0.908) 5.024 9.498 ( 7.420 3.108 -0.509) 8.060 9.892 ( 3.044 15.290 3.383) 15.953 10.293 ( 13.869 -10.228 12.134) 21.076 11.249 ( -3.126 3.656 -8.196) 9.504 11.705 ( -9.217 9.441 -3.714) 13.707 11.984 ( -2.334 -11.746 -4.472) 12.784 13.855 ( -8.434 6.747 29.087) 31.028 15.216 ( 15.154 0.827 16.170) 22.176 16.224 ( -0.871 -5.478 1.178) 5.671 17.046 ( -0.021 2.468 -13.679) 13.900 18.756 ( -5.249 6.271 -5.697) 9.967 19.101 ( -28.140 -5.998 -20.562) 35.364 20.186 ( 4.989 7.837 5.561) 10.828 20.436 ( 4.170 -12.609 1.649) 13.383 21.473 ( -1.267 2.661 -3.007) 4.211 21.662 ( 13.353 -0.244 2.827) 13.651 30.242 ( -14.489 2.415 4.850) 15.469 30.434 ( -2.080 1.559 -4.390) 5.102 30.578 ( 11.715 -5.890 1.760) 13.229 31.100 ( 5.937 -0.193 -3.536) 6.913 32.433 ( -5.503 0.525 5.180) 7.575 33.845 ( -1.640 0.933 -14.305) 14.429 35.614 ( 6.051 0.027 1.084) 6.147 35.961 ( -1.788 0.550 -6.046) 6.329 36.368 ( -3.474 0.274 2.132) 4.085 36.506 ( 4.318 0.243 2.905) 5.210 51.092 ( -4.250 -0.936 8.440) 9.495 52.360 ( 8.380 -0.519 -5.542) 10.060 54.972 ( -0.449 1.262 10.307) 10.394 55.595 ( -8.171 4.714 -4.483) 10.444 56.130 ( 5.452 5.049 6.115) 9.624 56.454 ( 2.326 -4.352 1.707) 5.222 57.821 ( 1.671 -0.662 -3.536) 3.967 57.860 ( -8.229 -3.291 -6.906) 11.236 60.273 ( -1.906 2.004 2.952) 4.045 60.586 ( 3.093 -1.253 1.250) 3.563 ======================= Grid point 378 (181/355) ======================= q-point: (-0.33 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.858 ( -19.564 13.380 38.757) 45.430 5.526 ( 14.682 7.829 10.741) 19.805 5.916 ( -16.721 -0.643 -6.390) 17.912 6.310 ( -17.736 16.796 -5.350) 25.006 6.760 ( 0.723 -0.086 0.478) 0.871 9.156 ( 6.251 -2.435 -7.015) 9.707 9.491 ( -0.494 10.848 3.674) 11.464 9.792 ( 4.267 9.396 0.940) 10.362 10.546 ( 2.947 7.175 2.194) 8.061 11.155 ( 2.233 -2.666 -4.272) 5.508 11.424 ( -12.792 4.398 -2.880) 13.830 12.114 ( 4.002 -11.486 -1.494) 12.255 13.806 ( -12.729 7.298 27.795) 31.430 15.277 ( -2.019 12.229 -1.891) 12.538 16.474 ( 10.422 -10.348 9.673) 17.586 16.979 ( 8.444 5.044 -5.937) 11.489 18.536 ( -15.092 4.990 -5.301) 16.756 18.663 ( -22.315 -12.987 -13.641) 29.202 20.200 ( 3.140 5.159 4.819) 7.726 20.686 ( 6.729 -10.837 2.552) 13.009 21.401 ( 2.075 4.196 -6.882) 8.323 21.837 ( 8.998 0.535 0.387) 9.023 30.020 ( -14.158 4.922 4.305) 15.595 30.311 ( -7.863 -1.879 -5.270) 9.650 30.871 ( 14.435 -5.656 4.185) 16.058 31.208 ( 9.940 -1.046 -3.063) 10.454 32.367 ( -6.798 1.546 5.172) 8.681 33.687 ( -4.371 1.453 -13.326) 14.100 35.711 ( 6.413 0.600 0.353) 6.450 35.887 ( -1.464 0.929 -5.101) 5.388 36.330 ( -2.921 0.369 1.556) 3.330 36.593 ( 5.353 0.286 2.433) 5.887 51.109 ( -3.327 -2.092 6.881) 7.924 52.444 ( 7.049 -0.697 -5.098) 8.728 54.975 ( -4.731 5.072 8.830) 11.228 55.387 ( -7.463 4.569 -2.036) 8.984 56.176 ( 4.078 6.165 5.086) 8.972 56.490 ( -1.339 -1.454 -2.954) 3.554 57.643 ( -11.605 -3.792 -6.279) 13.729 58.009 ( 10.270 -6.386 1.501) 12.186 60.207 ( -3.662 5.285 1.603) 6.626 60.672 ( 4.046 -3.366 0.633) 5.301 ======================= Grid point 379 (182/355) ======================= q-point: (-0.25 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -16.653 11.739 35.373) 40.821 5.252 ( -30.606 31.088 3.292) 43.750 5.716 ( -5.005 -1.547 -1.902) 5.573 5.965 ( -2.537 3.569 -5.012) 6.656 6.862 ( 6.733 0.916 5.200) 8.557 9.227 ( -3.793 -0.315 -0.172) 3.810 9.317 ( 5.093 10.380 -5.816) 12.942 9.783 ( 3.435 6.864 -0.238) 7.679 10.294 ( -6.180 17.627 -3.773) 19.056 11.124 ( -11.948 -8.033 -14.519) 20.447 11.369 ( 5.498 -2.032 6.791) 8.971 12.343 ( 8.702 -9.729 2.265) 13.247 13.702 ( -13.843 6.939 21.605) 26.581 14.972 ( -8.256 14.271 -10.256) 19.417 16.649 ( 6.859 2.959 -5.767) 9.437 17.101 ( 2.246 4.003 13.381) 14.147 18.272 ( -10.650 -7.495 0.040) 13.023 18.560 ( -10.846 -16.316 -5.149) 20.257 20.205 ( 1.322 5.617 4.106) 7.082 20.898 ( 4.542 -6.744 2.981) 8.660 21.356 ( 6.988 2.923 -11.022) 13.374 21.919 ( 4.574 1.292 -1.662) 5.035 29.779 ( -12.822 6.431 3.605) 14.791 30.194 ( -6.491 -2.058 -4.551) 8.191 31.182 ( 13.289 -6.708 5.218) 15.774 31.354 ( 9.746 -1.957 -2.129) 10.166 32.270 ( -7.824 2.774 5.106) 9.746 33.513 ( -4.394 1.576 -12.037) 12.911 35.753 ( 0.549 1.630 -1.600) 2.349 35.864 ( 3.685 -0.101 -2.044) 4.215 36.297 ( -1.902 0.728 1.258) 2.393 36.683 ( 5.549 0.497 1.351) 5.733 51.138 ( -2.951 -3.402 5.324) 6.973 52.509 ( 5.382 -0.661 -4.731) 7.197 54.800 ( -10.672 10.897 3.581) 15.667 55.287 ( -3.343 0.757 2.890) 4.483 56.155 ( -1.319 4.352 0.491) 4.574 56.445 ( -0.282 1.059 -3.893) 4.044 57.519 ( -6.697 -2.792 -2.201) 7.582 58.280 ( 10.520 -9.514 2.889) 14.475 60.067 ( -5.544 7.445 0.449) 9.293 60.788 ( 4.744 -4.597 -0.130) 6.607 ======================= Grid point 380 (183/355) ======================= q-point: (-0.17 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( -32.188 31.602 -2.078) 45.157 4.726 ( -16.884 8.051 44.399) 48.178 5.565 ( -13.279 -2.611 -5.242) 14.514 5.915 ( 3.576 5.136 -8.192) 10.309 6.953 ( 2.357 -0.539 0.151) 2.423 8.946 ( -15.305 15.051 6.227) 22.351 9.421 ( 12.698 -3.729 -14.265) 19.459 9.625 ( -4.854 10.387 -3.429) 11.967 10.137 ( 5.046 6.501 2.241) 8.529 10.961 ( -10.331 -8.452 -10.907) 17.237 11.506 ( 5.099 -2.192 0.764) 5.602 12.591 ( 8.418 -6.608 2.184) 10.922 13.509 ( -13.809 10.571 8.934) 19.551 14.658 ( -8.473 5.447 -4.428) 11.003 16.650 ( 8.162 5.592 -7.609) 12.481 16.965 ( -13.332 9.537 4.630) 17.033 18.335 ( -12.562 -7.252 19.397) 24.221 18.723 ( 8.047 -23.603 -5.457) 25.527 20.147 ( -0.691 8.886 2.527) 9.264 21.003 ( 0.914 -1.775 1.342) 2.406 21.402 ( 11.422 -0.895 -11.724) 16.393 21.928 ( 1.181 0.924 -2.792) 3.169 29.553 ( -10.114 6.969 3.373) 12.737 30.110 ( -3.932 -1.670 -3.932) 5.806 31.480 ( 10.648 -6.906 4.272) 13.391 31.501 ( 8.557 -2.110 -0.063) 8.814 32.148 ( -8.456 3.539 5.528) 10.704 33.366 ( -2.340 1.315 -10.691) 11.023 35.716 ( -1.186 0.548 -0.803) 1.533 35.924 ( 4.126 -0.590 -0.981) 4.282 36.278 ( -0.123 1.500 1.400) 2.055 36.754 ( 4.520 1.086 -0.173) 4.652 51.178 ( -2.798 -4.817 4.317) 7.047 52.550 ( 3.579 -0.294 -4.023) 5.393 54.522 ( -10.581 10.575 1.672) 15.053 55.250 ( -3.570 1.786 2.227) 4.571 56.058 ( -5.396 -0.191 -4.342) 6.929 56.423 ( 1.687 1.384 -1.749) 2.797 57.482 ( -0.396 0.456 2.236) 2.316 58.542 ( 7.369 -8.704 0.624) 11.422 59.895 ( -5.785 6.759 0.542) 8.913 60.907 ( 4.270 -4.249 -0.764) 6.072 ======================= Grid point 381 (184/355) ======================= q-point: (-0.08 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -24.194 19.978 1.199) 31.399 4.786 ( -16.788 0.135 50.300) 53.028 5.342 ( -11.881 -1.112 -12.280) 17.123 5.783 ( -1.098 5.472 -16.225) 17.158 6.930 ( -4.296 -2.013 -6.587) 8.118 8.608 ( -14.507 9.304 7.786) 18.911 9.381 ( 7.493 9.747 -16.129) 20.280 9.638 ( 3.312 -10.020 -0.297) 10.558 10.190 ( 4.848 3.505 3.550) 6.956 10.889 ( -3.598 -6.997 -6.649) 10.301 11.583 ( 3.949 -0.701 -1.729) 4.368 12.747 ( 4.645 -1.951 -0.554) 5.069 13.170 ( -13.358 15.168 -2.069) 20.317 14.577 ( -5.429 -8.987 2.653) 10.830 16.637 ( 8.861 12.303 -8.472) 17.368 16.724 ( -9.215 1.286 5.940) 11.039 18.297 ( -19.792 -8.824 13.915) 25.753 19.149 ( 14.271 -16.411 2.337) 21.873 20.017 ( -1.731 12.003 2.117) 12.311 21.004 ( -0.186 1.410 -1.914) 2.385 21.515 ( 10.077 -2.635 -9.664) 14.209 21.909 ( -0.693 -1.003 -2.942) 3.185 29.375 ( -5.981 6.636 3.281) 9.517 30.068 ( -1.055 -1.682 -3.394) 3.932 31.617 ( 4.623 -2.239 0.271) 5.144 31.710 ( 6.281 -2.141 2.157) 6.977 32.046 ( -5.726 0.804 8.370) 10.173 33.273 ( 1.085 0.666 -9.541) 9.625 35.710 ( -0.223 -1.354 1.108) 1.764 35.970 ( 1.392 -1.135 -0.979) 2.045 36.282 ( 2.351 2.378 1.867) 3.830 36.780 ( 2.275 1.844 -1.797) 3.436 51.232 ( -2.776 -5.997 4.050) 7.750 52.562 ( 1.613 0.793 -2.923) 3.432 54.299 ( -6.801 6.318 1.628) 9.424 55.148 ( -5.250 4.174 -2.586) 7.189 55.974 ( -5.483 -4.681 -4.662) 8.585 56.430 ( 1.994 0.584 -0.919) 2.272 57.524 ( 5.213 3.355 6.100) 8.697 58.673 ( 1.665 -3.139 -4.359) 5.624 59.779 ( -3.417 1.912 2.337) 4.560 60.992 ( 2.676 -2.329 -1.127) 3.723 ======================= Grid point 389 (185/355) ======================= q-point: (-0.42 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.044 ( -23.047 0.000 43.656) 49.366 5.612 ( 15.349 -0.000 10.852) 18.798 5.865 ( -11.358 0.000 -17.264) 20.665 6.604 ( -27.100 0.000 -15.907) 31.423 6.690 ( 6.398 -0.000 12.795) 14.306 9.123 ( 4.396 -0.000 -9.779) 10.721 9.622 ( 3.123 -0.000 5.107) 5.986 9.947 ( -4.551 0.000 -0.644) 4.597 10.600 ( 16.363 -0.000 11.939) 20.255 11.091 ( -8.739 0.000 -13.586) 16.154 11.638 ( -10.822 0.000 -4.208) 11.611 11.846 ( 2.071 -0.000 1.841) 2.771 13.901 ( -16.556 0.000 28.930) 33.332 15.425 ( -3.035 0.000 1.225) 3.273 16.342 ( 18.863 -0.000 15.082) 24.151 17.046 ( 10.214 -0.000 -14.709) 17.907 18.462 ( -34.531 0.000 -17.220) 38.587 18.641 ( -10.299 0.000 -3.120) 10.761 20.289 ( -0.560 0.000 -0.125) 0.574 20.518 ( 12.714 -0.000 7.874) 14.955 21.456 ( 1.535 -0.000 -7.034) 7.199 21.846 ( 9.563 -0.000 1.240) 9.643 30.102 ( -12.488 0.000 6.640) 14.144 30.270 ( -9.317 0.000 -7.639) 12.048 30.800 ( 15.307 -0.000 4.615) 15.988 31.192 ( 9.252 -0.000 -3.273) 9.814 32.385 ( -6.587 0.000 5.380) 8.505 33.703 ( -5.096 0.000 -13.114) 14.070 35.720 ( 7.324 -0.000 0.033) 7.325 35.897 ( -1.745 0.000 -6.027) 6.275 36.335 ( -3.115 0.000 2.177) 3.801 36.597 ( 5.139 -0.000 2.833) 5.868 51.084 ( -3.181 0.000 6.445) 7.188 52.436 ( 7.321 -0.000 -5.117) 8.932 55.037 ( -1.954 0.000 10.896) 11.070 55.446 ( -10.957 0.000 -4.526) 11.856 56.261 ( 2.310 -0.000 2.666) 3.528 56.459 ( 0.358 -0.000 0.525) 0.636 57.596 ( -10.747 0.000 -6.171) 12.393 57.931 ( 9.287 -0.000 0.606) 9.306 60.282 ( -1.354 0.000 1.477) 2.004 60.620 ( 1.867 -0.000 1.164) 2.200 ======================= Grid point 390 (186/355) ======================= q-point: (-0.33 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.942 ( -24.422 7.153 41.787) 48.926 5.566 ( -18.902 -2.108 -13.384) 23.257 5.820 ( 6.262 7.021 2.518) 9.738 6.074 ( -19.554 5.579 -11.485) 23.353 6.844 ( 0.922 -1.260 11.178) 11.286 9.133 ( 4.756 -2.684 -10.423) 11.767 9.605 ( -2.954 8.758 2.220) 9.505 9.882 ( -1.652 0.595 1.068) 2.055 10.687 ( -1.018 12.775 -3.051) 13.174 10.936 ( -6.562 -7.791 -13.832) 17.178 11.398 ( -7.397 5.110 1.287) 9.082 12.049 ( 7.460 -11.925 6.357) 15.436 13.826 ( -16.123 2.912 25.299) 30.142 15.180 ( -16.677 3.716 -14.668) 22.518 16.806 ( 22.875 7.265 15.776) 28.722 17.134 ( 10.074 -0.109 -1.434) 10.176 17.944 ( -25.489 -12.446 -13.074) 31.234 18.447 ( -13.501 0.608 0.758) 13.535 20.278 ( 0.275 1.129 0.833) 1.429 20.778 ( 11.356 -2.820 7.585) 13.944 21.424 ( 5.067 1.934 -12.037) 13.202 21.952 ( 5.286 0.957 -0.416) 5.388 29.942 ( -10.102 6.369 5.022) 12.955 30.122 ( -7.158 -3.989 -5.794) 10.036 31.063 ( 13.232 -2.726 6.050) 14.803 31.312 ( 8.726 -1.174 -2.512) 9.156 32.314 ( -7.487 0.933 5.216) 9.172 33.529 ( -6.194 0.128 -11.757) 13.289 35.798 ( 2.631 2.003 -2.545) 4.173 35.845 ( 1.643 -1.396 -3.784) 4.355 36.312 ( -1.779 0.381 2.377) 2.993 36.693 ( 5.644 0.266 2.386) 6.133 51.087 ( -2.540 -1.020 4.431) 5.208 52.499 ( 5.953 -0.185 -4.940) 7.738 55.028 ( -5.798 7.038 8.063) 12.173 55.265 ( -9.226 -2.235 -1.166) 9.565 56.212 ( -7.265 0.872 -4.171) 8.422 56.455 ( -0.298 0.039 -1.525) 1.554 57.488 ( -1.727 -0.243 0.631) 1.855 58.112 ( 10.348 -3.997 2.618) 11.398 60.230 ( -2.719 4.925 -0.307) 5.634 60.676 ( 2.115 -3.756 0.736) 4.373 ======================= Grid point 391 (187/355) ======================= q-point: (-0.25 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.757 ( -23.023 9.814 25.083) 35.433 5.047 ( -36.528 12.788 8.850) 39.701 5.553 ( -9.900 5.082 -10.579) 15.355 5.987 ( 1.866 0.571 -4.504) 4.909 6.887 ( -6.694 -3.858 4.146) 8.769 9.145 ( -4.799 -1.414 -2.934) 5.800 9.424 ( 0.218 9.182 -6.107) 11.029 9.858 ( -1.971 3.351 -1.023) 4.020 10.411 ( -4.414 17.009 -2.135) 17.702 10.785 ( -6.437 -5.050 -13.667) 15.928 11.390 ( -1.486 -7.535 0.996) 7.744 12.361 ( 8.687 -11.019 6.439) 15.438 13.717 ( -12.494 6.396 18.217) 22.998 14.732 ( -21.806 1.250 -18.987) 28.941 16.919 ( 12.359 16.013 -5.958) 21.087 17.104 ( -17.770 2.470 11.319) 21.213 18.095 ( 13.668 -20.202 7.449) 25.504 18.271 ( -13.466 -5.968 2.200) 14.892 20.271 ( -0.080 2.063 0.875) 2.242 20.990 ( 7.891 0.176 6.049) 9.945 21.411 ( 9.869 1.342 -15.405) 18.344 21.974 ( 1.500 2.100 -1.755) 3.121 29.745 ( -7.440 8.682 2.607) 11.727 30.059 ( -3.724 -3.182 -2.999) 5.743 31.332 ( 10.825 -4.914 6.790) 13.691 31.438 ( 7.094 -2.698 -1.060) 7.663 32.215 ( -8.287 2.082 4.833) 9.817 33.368 ( -5.377 -0.642 -10.481) 11.797 35.743 ( -1.494 1.537 -3.130) 3.794 35.898 ( 3.259 -1.487 -2.185) 4.196 36.311 ( 0.481 1.123 2.641) 2.910 36.781 ( 5.378 1.072 1.383) 5.655 51.097 ( -2.091 -2.133 2.966) 4.209 52.546 ( 4.659 -0.093 -4.451) 6.444 54.798 ( -11.100 12.076 1.650) 16.485 55.237 ( -4.349 -3.453 4.649) 7.242 56.008 ( -14.190 -2.869 -8.781) 16.932 56.442 ( 0.704 0.380 -1.860) 2.025 57.527 ( 5.137 2.664 5.189) 7.773 58.345 ( 9.343 -6.928 2.488) 11.895 60.088 ( -4.426 8.292 -1.456) 9.511 60.777 ( 2.892 -6.072 0.010) 6.726 ======================= Grid point 392 (188/355) ======================= q-point: (-0.17 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( -35.958 24.951 -7.447) 44.396 4.778 ( -28.628 -0.744 49.240) 56.962 5.315 ( -7.907 0.562 -13.918) 16.017 5.895 ( -4.007 2.752 -12.580) 13.487 6.808 ( -12.774 -7.188 -3.397) 15.046 8.872 ( -21.508 10.246 4.560) 24.256 9.428 ( 8.859 -4.252 -11.287) 14.966 9.685 ( -2.158 12.330 -6.019) 13.889 10.252 ( -3.672 2.642 4.272) 6.222 10.747 ( 4.562 -3.809 -8.853) 10.663 11.471 ( -1.584 -9.218 -1.551) 9.481 12.622 ( 6.449 -7.666 3.364) 10.567 13.516 ( -11.588 12.937 3.927) 17.806 14.354 ( -18.772 -8.719 -9.304) 22.693 16.757 ( -15.542 1.859 4.898) 16.401 16.961 ( 8.456 13.494 -4.477) 16.542 18.095 ( -20.410 -6.901 9.462) 23.532 18.725 ( 21.070 -18.360 10.622) 29.897 20.227 ( -0.174 5.454 -0.076) 5.457 21.069 ( 4.821 3.869 -1.560) 6.375 21.481 ( 12.170 -0.448 -11.107) 16.483 21.933 ( -1.002 2.244 -2.575) 3.560 29.569 ( -4.129 9.206 2.409) 10.373 30.039 ( -0.189 -1.177 -2.240) 2.537 31.531 ( 4.445 -4.015 0.517) 6.013 31.616 ( 8.804 -5.271 6.201) 11.989 32.093 ( -8.977 2.543 5.039) 10.605 33.252 ( -2.957 -2.047 -9.471) 10.131 35.696 ( -1.177 0.208 -1.031) 1.578 35.933 ( 0.773 -1.962 -2.037) 2.932 36.335 ( 2.784 1.980 2.757) 4.390 36.834 ( 3.959 2.540 -0.159) 4.706 51.121 ( -1.604 -3.355 2.482) 4.471 52.577 ( 3.501 0.475 -3.186) 4.758 54.505 ( -10.202 10.720 0.878) 14.825 55.215 ( -5.317 0.881 1.599) 5.622 55.800 ( -14.142 -8.712 -7.597) 18.266 56.444 ( 1.987 0.506 -1.514) 2.549 57.626 ( 8.156 4.665 7.067) 11.757 58.552 ( 6.255 -6.156 -0.662) 8.801 59.907 ( -4.840 7.899 -1.192) 9.340 60.892 ( 2.973 -5.844 -0.665) 6.591 ======================= Grid point 393 (189/355) ======================= q-point: (-0.08 -0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( -29.038 12.869 -2.306) 31.846 4.707 ( -35.930 -7.803 44.714) 57.890 5.118 ( -4.692 0.341 -11.998) 12.887 5.647 ( -7.532 3.345 -20.536) 22.128 6.665 ( -13.883 -8.545 -6.675) 17.615 8.483 ( -21.441 4.048 6.404) 22.740 9.490 ( 8.326 8.399 -16.817) 20.559 9.572 ( 1.318 -6.528 2.372) 7.069 10.209 ( -8.091 -2.021 5.764) 10.138 10.857 ( 11.546 -1.397 -5.892) 13.037 11.533 ( -2.146 -8.061 -2.590) 8.734 12.767 ( 2.781 -2.931 -0.089) 4.042 13.144 ( -12.455 14.438 -6.318) 20.088 14.289 ( -8.137 -15.994 0.062) 17.945 16.597 ( -11.499 -3.378 6.702) 13.731 16.914 ( 10.050 13.283 -3.719) 17.067 17.942 ( -22.202 -10.385 7.376) 25.597 19.254 ( 15.351 -11.888 10.181) 21.923 20.145 ( 1.890 9.437 0.133) 9.625 21.051 ( 4.086 4.360 -6.734) 9.003 21.577 ( 8.786 0.876 -7.541) 11.612 21.872 ( -1.977 0.711 -2.723) 3.439 29.448 ( 0.040 8.757 2.894) 9.223 30.050 ( 2.901 0.049 -2.365) 3.743 31.621 ( 1.004 -3.820 0.744) 4.019 31.783 ( 1.643 1.605 2.045) 3.076 32.020 ( -3.896 -3.749 9.586) 11.006 33.205 ( 0.850 -3.588 -9.019) 9.743 35.695 ( -0.227 -1.824 1.138) 2.161 35.941 ( -1.151 -1.968 -1.511) 2.735 36.378 ( 3.990 2.523 2.468) 5.327 36.826 ( 1.203 4.169 -1.990) 4.774 51.165 ( -1.169 -4.299 2.965) 5.352 52.589 ( 2.125 2.000 -1.337) 3.210 54.286 ( -6.376 6.054 1.485) 8.917 55.070 ( -8.175 3.153 -5.130) 10.153 55.717 ( -9.801 -11.677 -2.875) 15.514 56.469 ( 3.688 0.891 -0.767) 3.871 57.748 ( 9.205 4.862 7.823) 13.021 58.634 ( 1.377 -1.033 -6.043) 6.283 59.774 ( -3.393 2.892 0.806) 4.530 60.982 ( 2.047 -3.634 -1.074) 4.307 ======================= Grid point 402 (190/355) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.887 ( -29.821 0.000 44.423) 53.504 5.127 ( -24.923 0.000 -18.482) 31.029 5.729 ( -15.164 0.000 -11.526) 19.047 5.960 ( 1.715 -0.000 -1.938) 2.587 6.827 ( -11.903 0.000 8.097) 14.396 9.099 ( 1.111 -0.000 -8.412) 8.485 9.612 ( -5.532 0.000 -1.920) 5.856 9.826 ( -3.989 0.000 1.669) 4.324 10.704 ( 0.913 -0.000 -12.896) 12.928 10.759 ( -4.277 0.000 -6.301) 7.615 11.223 ( -14.748 0.000 -1.241) 14.800 12.199 ( 12.149 -0.000 10.227) 15.881 13.796 ( -12.237 0.000 21.779) 24.982 14.743 ( -25.156 0.000 -24.113) 34.846 17.120 ( -23.759 0.000 13.540) 27.347 17.247 ( 13.231 -0.000 -12.489) 18.194 17.701 ( 22.616 -0.000 12.580) 25.879 18.231 ( -17.132 0.000 2.229) 17.277 20.288 ( 0.446 -0.000 0.177) 0.480 20.993 ( 10.934 -0.000 8.111) 13.614 21.434 ( 9.049 -0.000 -17.018) 19.274 22.002 ( 1.475 -0.000 -1.199) 1.901 29.936 ( -4.286 0.000 -9.868) 10.758 29.942 ( -5.533 0.000 9.706) 11.172 31.270 ( 10.666 -0.000 7.701) 13.155 31.400 ( 6.324 -0.000 -1.529) 6.506 32.241 ( -7.943 0.000 4.673) 9.215 33.357 ( -6.661 0.000 -10.355) 12.312 35.769 ( -1.749 0.000 -4.567) 4.891 35.873 ( 3.099 -0.000 -2.282) 3.849 36.325 ( 0.676 -0.000 3.025) 3.100 36.796 ( 5.820 -0.000 2.128) 6.197 51.072 ( -1.892 0.000 2.507) 3.141 52.545 ( 5.000 -0.000 -4.579) 6.780 55.043 ( -12.107 0.000 -3.273) 12.542 55.100 ( -3.850 0.000 10.502) 11.186 55.968 ( -17.051 0.000 -10.482) 20.015 56.446 ( 0.433 -0.000 -1.559) 1.618 57.568 ( 7.022 -0.000 6.058) 9.274 58.254 ( 9.710 -0.000 2.973) 10.155 60.213 ( -3.110 0.000 -2.895) 4.249 60.680 ( 1.703 -0.000 1.028) 1.989 ======================= Grid point 403 (191/355) ======================= q-point: (-0.25 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( -33.278 10.044 -14.149) 37.530 4.742 ( -35.012 -2.328 41.130) 54.064 5.438 ( -7.208 8.329 -10.773) 15.407 5.879 ( -10.865 -3.712 -9.380) 14.826 6.650 ( -18.351 -4.383 2.322) 19.010 8.984 ( -15.574 0.234 -1.751) 15.674 9.470 ( 1.411 5.560 -9.238) 10.874 9.815 ( -3.299 -2.020 2.751) 4.746 10.479 ( -9.869 16.156 -6.229) 19.930 10.707 ( 8.962 -0.651 -9.077) 12.772 11.148 ( -9.001 -15.715 -0.094) 18.110 12.458 ( 9.868 -4.388 6.708) 12.713 13.754 ( -8.338 6.119 14.344) 17.684 14.193 ( -26.351 -4.185 -22.876) 35.145 16.766 ( -27.039 -0.431 7.974) 28.194 17.269 ( 10.906 9.778 -9.761) 17.602 17.992 ( -20.140 -1.916 4.621) 20.752 18.339 ( 27.708 -11.429 20.439) 36.278 20.297 ( 1.435 1.070 0.022) 1.790 21.152 ( 7.531 2.176 -1.088) 7.914 21.483 ( 13.535 0.294 -13.631) 19.211 21.980 ( -1.766 1.224 -1.880) 2.855 29.778 ( -1.470 7.074 -5.009) 8.791 29.991 ( -0.404 -2.809 5.624) 6.300 31.463 ( 5.232 -1.087 3.546) 6.414 31.497 ( 6.323 -3.813 5.165) 9.011 32.144 ( -8.366 1.333 3.737) 9.259 33.203 ( -5.887 -1.433 -9.171) 10.992 35.712 ( -1.501 0.749 -3.035) 3.468 35.887 ( 0.217 -1.459 -2.573) 2.966 36.369 ( 2.861 0.761 3.098) 4.285 36.885 ( 5.458 1.288 1.253) 5.746 51.069 ( -1.253 -1.064 1.561) 2.267 52.585 ( 4.494 0.189 -3.299) 5.578 54.777 ( -11.011 10.315 -0.849) 15.112 55.155 ( -4.652 -5.593 7.437) 10.403 55.636 ( -19.396 -3.690 -11.129) 22.664 56.451 ( 1.648 0.079 -0.977) 1.917 57.720 ( 8.923 2.527 6.599) 11.382 58.426 ( 8.206 -3.368 1.732) 9.038 60.092 ( -4.476 5.741 -4.851) 8.748 60.749 ( 2.566 -4.682 0.751) 5.392 ======================= Grid point 404 (192/355) ======================= q-point: (-0.17 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( -39.885 17.091 -11.457) 44.879 4.533 ( -39.375 -5.988 37.809) 54.916 5.162 ( -9.794 4.669 -9.567) 14.465 5.632 ( -17.097 -6.008 -15.660) 23.951 6.472 ( -15.086 -6.109 -1.054) 16.310 8.593 ( -31.444 3.429 2.042) 31.696 9.452 ( 7.793 -0.039 -9.001) 11.905 9.764 ( -0.572 8.314 -0.151) 8.335 10.180 ( -8.915 3.771 0.229) 9.682 10.821 ( 9.550 -3.615 -7.764) 12.828 11.249 ( -2.772 -13.843 0.453) 14.125 12.654 ( 4.466 -5.218 1.346) 6.999 13.449 ( -16.464 10.669 -11.782) 22.885 13.975 ( -8.188 -9.873 3.988) 13.432 16.507 ( -19.245 -3.861 8.465) 21.376 17.217 ( 7.943 11.079 -8.366) 15.995 17.752 ( -23.257 -5.141 5.674) 24.485 18.969 ( 20.280 -10.776 18.707) 29.620 20.302 ( 3.736 3.916 -0.400) 5.427 21.153 ( 6.754 3.854 -14.982) 16.879 21.613 ( 12.291 1.581 -4.227) 13.093 21.906 ( -3.657 1.552 -2.479) 4.683 29.661 ( 1.898 8.069 -3.121) 8.858 30.064 ( 3.779 0.923 4.400) 5.873 31.536 ( 1.094 -2.812 1.282) 3.278 31.708 ( 5.699 -5.985 8.919) 12.160 32.017 ( -9.105 2.228 3.329) 9.947 33.103 ( -3.598 -4.190 -8.466) 10.108 35.674 ( -1.018 -0.066 -0.921) 1.375 35.885 ( -1.296 -2.459 -2.252) 3.577 36.426 ( 3.757 1.447 2.734) 4.866 36.929 ( 3.972 3.828 -0.482) 5.538 51.087 ( -0.492 -2.279 1.843) 2.972 52.628 ( 4.326 1.190 -0.603) 4.527 54.493 ( -9.445 10.633 0.203) 14.224 55.130 ( -8.842 1.216 -1.509) 9.052 55.412 ( -13.746 -12.604 -3.486) 18.973 56.482 ( 3.321 0.185 0.360) 3.345 57.854 ( 8.588 3.688 6.111) 11.167 58.572 ( 5.501 -3.245 -2.047) 6.707 59.903 ( -5.527 6.644 -5.175) 10.073 60.859 ( 3.057 -5.845 -0.062) 6.596 ======================= Grid point 405 (193/355) ======================= q-point: (-0.08 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -34.945 6.259 -4.746) 35.817 4.223 ( -43.189 -10.359 19.016) 48.314 4.939 ( -19.651 -5.377 7.282) 21.636 5.347 ( -12.086 -4.033 -19.089) 22.951 6.333 ( -12.200 -6.142 -3.066) 13.998 8.139 ( -31.238 -4.043 5.617) 31.995 9.537 ( 6.610 -3.746 -4.170) 8.667 9.642 ( 3.992 11.078 -4.671) 12.668 10.092 ( -7.853 -1.570 6.697) 10.440 10.927 ( 2.928 -7.735 -9.249) 12.408 11.374 ( 1.372 -6.588 0.856) 6.784 12.699 ( -5.906 -5.312 -5.251) 9.522 13.084 ( -4.797 8.667 -7.102) 12.189 14.090 ( 0.804 -10.611 5.460) 11.960 16.427 ( -9.140 -7.925 8.785) 14.951 17.118 ( 2.142 9.348 -7.299) 12.052 17.533 ( -22.505 -8.878 6.517) 25.055 19.412 ( 9.673 -7.117 13.160) 17.816 20.326 ( 9.037 7.092 1.317) 11.563 21.082 ( 5.520 2.702 -18.802) 19.781 21.695 ( 6.454 5.324 -3.708) 9.151 21.824 ( -2.858 0.346 -1.263) 3.144 29.605 ( 5.642 8.187 -0.799) 9.975 30.134 ( 6.412 3.717 1.990) 7.674 31.580 ( -1.909 -3.131 2.114) 4.233 31.813 ( -4.589 4.875 0.778) 6.740 31.981 ( -0.740 -9.006 11.261) 14.439 33.090 ( 0.920 -7.332 -8.716) 11.427 35.677 ( -0.234 -1.968 1.192) 2.313 35.878 ( -1.981 -2.669 -1.608) 3.692 36.476 ( 3.372 2.004 1.718) 4.282 36.890 ( 0.712 6.852 -2.793) 7.434 51.136 ( 0.259 -3.196 3.150) 4.495 52.667 ( 3.665 3.962 2.821) 6.089 54.281 ( -5.604 6.133 1.602) 8.461 54.903 ( -11.763 0.962 -7.811) 14.153 55.433 ( -7.353 -13.007 1.653) 15.033 56.552 ( 5.892 0.648 2.087) 6.285 57.972 ( 7.716 3.297 5.850) 10.229 58.605 ( 1.265 1.170 -8.423) 8.597 59.734 ( -5.575 1.687 -3.062) 6.580 60.960 ( 2.409 -4.101 -0.777) 4.819 ======================= Grid point 415 (194/355) ======================= q-point: (-0.25 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( -38.151 0.000 -16.141) 41.425 4.454 ( -39.919 0.000 34.774) 52.941 5.363 ( -2.637 0.000 -11.693) 11.986 5.397 ( -37.202 0.000 -9.795) 38.470 6.403 ( -13.060 0.000 1.868) 13.193 8.627 ( -32.765 0.000 -0.110) 32.765 9.484 ( 6.956 -0.000 -11.774) 13.676 9.815 ( -1.008 0.000 10.087) 10.138 10.436 ( -7.922 0.000 -9.979) 12.741 10.608 ( -8.362 0.000 -8.446) 11.885 11.067 ( 10.829 -0.000 4.633) 11.779 12.582 ( 4.877 -0.000 1.271) 5.039 13.605 ( -23.146 0.000 -22.662) 32.393 13.836 ( -2.345 0.000 14.239) 14.431 16.452 ( -22.875 0.000 9.885) 24.920 17.367 ( 6.140 -0.000 -11.974) 13.457 17.693 ( -23.159 0.000 4.522) 23.597 18.822 ( 23.216 -0.000 23.688) 33.167 20.346 ( 4.486 -0.000 -0.013) 4.486 21.205 ( 7.806 -0.000 -18.993) 20.534 21.634 ( 13.748 -0.000 -3.156) 14.106 21.926 ( -4.643 0.000 -1.925) 5.026 29.770 ( 3.330 -0.000 -11.514) 11.986 30.079 ( 4.170 -0.000 13.537) 14.164 31.500 ( 0.757 -0.000 1.009) 1.261 31.618 ( 4.166 -0.000 10.596) 11.386 32.052 ( -8.163 0.000 2.064) 8.420 33.045 ( -5.825 0.000 -8.079) 9.960 35.678 ( -1.232 0.000 -2.126) 2.457 35.849 ( -1.445 0.000 -2.324) 2.737 36.444 ( 3.643 -0.000 2.851) 4.626 36.980 ( 5.323 -0.000 0.132) 5.325 51.059 ( -0.460 0.000 1.374) 1.449 52.643 ( 5.213 -0.000 -0.316) 5.222 54.682 ( -9.696 0.000 -2.153) 9.933 55.097 ( -5.572 0.000 8.300) 9.996 55.249 ( -19.175 0.000 -9.989) 21.621 56.483 ( 2.923 -0.000 0.871) 3.050 57.903 ( 8.143 -0.000 5.123) 9.621 58.525 ( 6.821 -0.000 -0.099) 6.822 60.004 ( -5.902 0.000 -8.974) 10.741 60.770 ( 3.340 -0.000 1.396) 3.620 ======================= Grid point 416 (195/355) ======================= q-point: (-0.17 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -42.930 10.365 -11.695) 45.686 4.031 ( -45.959 -5.012 14.834) 48.553 4.773 ( -44.393 -6.415 9.490) 45.847 5.245 ( -6.617 -2.876 -16.133) 17.673 6.256 ( -9.517 -1.036 -0.721) 9.601 8.079 ( -41.563 -1.248 3.675) 41.744 9.523 ( 8.576 1.208 -7.865) 11.699 9.888 ( 2.113 5.308 11.306) 12.668 10.137 ( -6.227 9.549 -4.791) 12.366 10.576 ( -9.608 -18.617 -8.795) 22.721 11.307 ( 14.468 -0.388 3.720) 14.944 12.567 ( -7.111 -3.865 -8.411) 11.673 13.227 ( -7.996 3.026 -10.876) 13.834 13.935 ( 1.701 -2.707 10.363) 10.845 16.259 ( -16.010 -4.673 10.197) 19.548 17.285 ( -5.943 3.508 -14.687) 16.227 17.415 ( -17.389 -1.360 8.949) 19.604 19.271 ( 12.813 -3.652 19.974) 24.010 20.434 ( 9.305 2.125 0.817) 9.579 21.138 ( 7.880 1.587 -29.324) 30.406 21.796 ( 8.815 2.567 0.060) 9.181 21.831 ( -4.629 0.033 -0.967) 4.729 29.748 ( 7.015 3.130 -9.924) 12.550 30.249 ( 8.619 4.345 12.828) 16.054 31.516 ( -1.638 -1.949 2.435) 3.523 31.762 ( 1.032 -5.210 11.758) 12.902 31.930 ( -8.076 2.207 0.464) 8.385 32.937 ( -4.313 -4.188 -7.571) 9.668 35.653 ( -0.871 -0.270 -0.510) 1.045 35.819 ( -1.869 -1.663 -1.946) 3.170 36.510 ( 3.327 0.760 2.235) 4.080 37.024 ( 3.983 3.382 -2.695) 5.879 51.079 ( 0.404 -1.340 2.511) 2.875 52.738 ( 6.901 1.667 5.148) 8.769 54.479 ( -8.118 8.350 -0.879) 11.679 54.918 ( -15.525 -0.234 -8.952) 17.923 55.135 ( -6.767 -9.595 6.737) 13.537 56.555 ( 4.900 -0.167 3.718) 6.153 58.033 ( 6.763 1.485 4.125) 8.059 58.603 ( 4.589 -0.606 -4.722) 6.612 59.807 ( -8.211 2.876 -11.071) 14.080 60.854 ( 3.680 -3.405 0.698) 5.062 ======================= Grid point 417 (196/355) ======================= q-point: (-0.08 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -39.180 2.927 -2.563) 39.372 3.496 ( -47.012 -12.764 2.974) 48.804 4.410 ( -46.670 -18.629 30.373) 58.717 5.026 ( -9.118 -3.815 -20.084) 22.384 6.125 ( -9.005 -1.122 -2.312) 9.364 7.601 ( -35.935 -9.274 9.669) 38.351 9.586 ( 3.917 0.167 1.374) 4.155 9.834 ( 9.938 11.512 -11.096) 18.826 10.085 ( -2.833 3.079 15.683) 16.231 10.589 ( -10.948 -18.789 -9.560) 23.755 11.489 ( 9.055 4.460 1.951) 10.281 12.434 ( -8.631 -9.040 -8.897) 15.342 13.112 ( 1.754 3.339 -3.993) 5.493 14.098 ( 5.992 -5.102 7.000) 10.532 16.267 ( -5.320 -12.245 9.329) 16.287 16.938 ( -21.539 -1.525 -13.640) 25.541 17.345 ( -5.691 0.825 12.677) 13.921 19.533 ( 2.433 -2.793 12.515) 13.051 20.585 ( 13.673 4.182 4.054) 14.862 21.009 ( 5.435 0.550 -30.469) 30.955 21.699 ( -5.933 1.434 -4.570) 7.625 21.896 ( 5.338 4.708 3.091) 7.760 29.773 ( 10.463 4.221 -6.669) 13.106 30.370 ( 9.398 10.587 8.503) 16.514 31.526 ( -3.805 -2.036 3.556) 5.591 31.769 ( -8.866 3.997 -0.199) 9.727 31.946 ( 0.233 -9.862 12.126) 15.632 32.939 ( 1.186 -10.514 -8.480) 13.560 35.659 ( -0.311 -1.869 1.345) 2.323 35.807 ( -1.732 -2.558 -1.409) 3.395 36.546 ( 1.955 1.922 0.743) 2.840 36.955 ( -0.341 7.829 -6.740) 10.336 51.140 ( 1.345 -2.517 4.588) 5.403 52.859 ( 7.958 7.570 11.203) 15.689 54.290 ( -4.599 5.815 1.432) 7.551 54.666 ( -11.825 -1.613 -7.243) 13.961 55.215 ( -5.567 -11.562 3.964) 13.431 56.693 ( 8.996 -0.086 7.103) 11.463 58.131 ( 5.430 1.620 4.170) 7.036 58.566 ( -0.297 3.012 -14.481) 14.794 59.587 ( -9.939 -1.738 -7.403) 12.515 60.948 ( 2.844 -3.439 -0.570) 4.499 ======================= Grid point 428 (197/355) ======================= q-point: (-0.17 -0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -44.687 0.000 -6.225) 45.119 3.284 ( -51.813 0.000 -5.652) 52.120 4.141 ( -54.112 0.000 38.245) 66.263 4.986 ( -13.283 0.000 -18.904) 23.104 6.117 ( -7.643 0.000 -2.560) 8.061 7.486 ( -41.586 0.000 10.344) 42.853 9.612 ( 7.289 -0.000 -3.507) 8.089 10.105 ( -0.630 0.000 -15.565) 15.578 10.122 ( 8.112 -0.000 20.912) 22.430 10.216 ( -11.160 0.000 -1.150) 11.219 11.554 ( 13.946 -0.000 3.809) 14.457 12.300 ( -12.211 0.000 -13.174) 17.963 13.144 ( -0.652 0.000 -4.794) 4.838 14.044 ( 5.966 -0.000 8.620) 10.483 16.088 ( -12.006 0.000 9.902) 15.563 16.928 ( -24.875 0.000 -11.155) 27.262 17.366 ( -3.622 0.000 8.551) 9.286 19.495 ( 3.095 -0.000 15.892) 16.191 20.633 ( 13.798 -0.000 3.354) 14.199 21.020 ( 6.734 -0.000 -37.681) 38.278 21.711 ( -7.904 0.000 -1.534) 8.051 21.960 ( 7.163 -0.000 2.604) 7.622 29.820 ( 10.887 -0.000 -11.072) 15.528 30.556 ( 14.228 -0.000 14.672) 20.438 31.477 ( -4.443 0.000 3.568) 5.699 31.770 ( -6.827 0.000 8.611) 10.989 31.860 ( -3.112 0.000 3.214) 4.473 32.789 ( -4.542 0.000 -7.020) 8.361 35.638 ( -0.722 0.000 0.455) 0.853 35.771 ( -1.570 0.000 -1.507) 2.176 36.570 ( 2.403 -0.000 1.503) 2.834 37.061 ( 2.285 -0.000 -8.503) 8.805 51.106 ( 1.191 -0.000 4.570) 4.722 52.960 ( 13.063 -0.000 14.875) 19.796 54.416 ( -6.614 0.000 -2.026) 6.917 54.639 ( -13.128 0.000 -7.250) 14.997 55.030 ( -6.767 0.000 7.574) 10.157 56.686 ( 7.856 -0.000 8.950) 11.909 58.152 ( 5.165 -0.000 3.342) 6.151 58.599 ( 1.923 -0.000 -12.746) 12.890 59.576 ( -13.001 0.000 -13.917) 19.045 60.893 ( 3.604 -0.000 0.416) 3.628 ======================= Grid point 429 (198/355) ======================= q-point: (-0.08 -0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -39.613 2.182 6.947) 40.277 2.632 ( -47.223 -16.852 4.965) 50.386 3.737 ( -53.455 -12.352 49.760) 74.068 4.628 ( -19.885 -6.405 -14.610) 25.493 5.988 ( -6.640 0.526 -3.942) 7.740 7.086 ( -30.275 -7.446 14.825) 34.523 9.654 ( -0.950 2.353 5.511) 6.067 9.981 ( 11.440 4.120 -18.332) 21.998 10.169 ( -7.589 -13.516 -8.975) 17.911 10.370 ( 7.917 12.506 22.995) 27.346 11.697 ( 5.903 9.140 2.745) 11.221 12.153 ( -4.059 -13.314 -5.880) 15.110 13.118 ( 0.755 -1.091 -4.235) 4.437 14.231 ( 10.394 -1.285 8.852) 13.713 16.096 ( -4.531 -13.509 6.951) 15.854 16.445 ( -27.030 -1.358 -18.324) 32.684 17.465 ( 3.370 1.041 30.433) 30.636 19.584 ( -3.204 -0.812 9.784) 10.327 20.807 ( 3.601 2.304 -23.780) 24.161 20.888 ( 13.112 -1.476 -6.375) 14.654 21.579 ( -7.984 0.302 -2.264) 8.305 22.032 ( 2.870 3.544 2.513) 5.207 29.925 ( 14.018 0.972 -9.060) 16.720 30.763 ( 12.641 16.105 9.429) 22.540 31.460 ( -5.092 -3.774 4.275) 7.646 31.664 ( -9.042 1.790 -0.337) 9.223 31.919 ( -2.097 -6.124 11.790) 13.450 32.758 ( 0.386 -11.857 -8.143) 14.389 35.645 ( -0.377 -1.302 1.947) 2.372 35.754 ( -0.822 -1.577 -0.980) 2.031 36.591 ( 0.649 2.073 -0.203) 2.182 36.928 ( -5.229 5.250 -16.251) 17.861 51.181 ( 2.090 -1.582 7.512) 7.956 53.289 ( 19.960 13.010 21.814) 32.303 54.296 ( -3.304 3.146 1.083) 4.689 54.448 ( -8.216 -2.575 -4.710) 9.814 55.042 ( -5.519 -8.822 5.230) 11.647 56.934 ( 15.119 -0.460 14.141) 20.706 58.234 ( 2.842 1.180 2.890) 4.221 58.398 ( -9.010 1.699 -30.483) 31.832 59.320 ( -13.773 -4.913 -2.380) 14.816 60.951 ( 2.496 -1.820 -0.966) 3.236 ======================= Grid point 441 (199/355) ======================= q-point: (-0.08 -0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -32.937 0.000 21.394) 39.275 1.983 ( -36.504 0.000 28.961) 46.597 3.324 ( -46.211 0.000 64.790) 79.581 4.228 ( -16.019 0.000 2.083) 16.154 5.876 ( -4.455 0.000 -6.612) 7.973 6.770 ( -21.537 0.000 15.655) 26.626 9.667 ( -4.973 0.000 6.889) 8.497 9.888 ( -7.709 0.000 -4.388) 8.870 10.128 ( 18.772 -0.000 -22.144) 29.030 10.694 ( 3.158 -0.000 2.029) 3.753 11.894 ( -4.354 0.000 -6.233) 7.603 11.986 ( 10.060 -0.000 11.796) 15.503 13.069 ( -0.939 0.000 -3.843) 3.956 14.487 ( 13.350 -0.000 9.499) 16.384 15.897 ( -23.816 0.000 -21.345) 31.982 15.969 ( -5.222 0.000 6.630) 8.440 18.078 ( 42.129 -0.000 61.664) 74.682 19.559 ( -6.831 0.000 6.131) 9.179 20.592 ( -1.007 0.000 -29.806) 29.823 21.102 ( 9.725 -0.000 6.938) 11.946 21.453 ( -7.143 0.000 -1.010) 7.215 22.083 ( -0.862 0.000 1.482) 1.714 30.092 ( 16.398 -0.000 -7.959) 18.227 31.147 ( 13.384 -0.000 -0.671) 13.401 31.338 ( -9.498 0.000 5.546) 10.999 31.559 ( -6.901 0.000 -1.342) 7.030 31.914 ( -3.996 0.000 9.307) 10.129 32.593 ( -1.689 0.000 -7.354) 7.545 35.652 ( -0.034 0.000 3.409) 3.409 35.734 ( 0.202 -0.000 -0.600) 0.633 36.609 ( -0.092 0.000 -1.004) 1.009 36.637 ( -19.464 0.000 -24.069) 30.954 51.273 ( 2.739 -0.000 11.598) 11.917 53.930 ( 23.165 -0.000 2.603) 23.311 54.302 ( -4.394 0.000 -3.726) 5.761 54.377 ( 16.639 -0.000 17.286) 23.993 54.936 ( -6.082 0.000 6.502) 8.903 57.188 ( -6.232 0.000 -17.614) 18.683 57.950 ( -2.815 0.000 -8.539) 8.991 58.313 ( 2.161 -0.000 4.236) 4.755 59.153 ( -7.560 0.000 12.392) 14.516 60.960 ( 1.319 -0.000 -2.116) 2.494 ======================= Grid point 442 (200/355) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 12.081 -0.000 36.955) 38.879 2.806 ( -3.946 0.000 30.144) 30.401 5.012 ( 18.729 -0.000 3.503) 19.054 5.125 ( 12.042 -0.000 39.805) 41.586 5.427 ( -16.126 0.000 18.442) 24.498 7.051 ( -4.185 0.000 28.572) 28.877 9.388 ( 9.073 -0.000 -23.522) 25.211 9.403 ( -10.524 0.000 -11.623) 15.679 10.230 ( 8.952 -0.000 3.964) 9.790 10.407 ( -9.612 0.000 3.914) 10.379 12.048 ( 14.493 -0.000 4.535) 15.186 12.161 ( -9.270 0.000 0.590) 9.289 12.978 ( 3.699 -0.000 -0.834) 3.792 13.742 ( -20.733 0.000 -22.860) 30.861 15.829 ( 18.328 -0.000 2.241) 18.464 15.935 ( -7.672 0.000 0.803) 7.714 19.372 ( -12.448 0.000 2.715) 12.741 19.688 ( 1.488 -0.000 -5.712) 5.903 21.030 ( -17.333 0.000 1.578) 17.405 21.401 ( 50.564 -0.000 -9.023) 51.363 21.690 ( 8.048 -0.000 5.761) 9.897 21.940 ( -6.906 0.000 -2.514) 7.349 30.496 ( 18.989 -0.000 0.586) 18.998 30.764 ( -25.788 0.000 -6.280) 26.541 31.177 ( -11.963 0.000 3.618) 12.498 31.312 ( 6.008 -0.000 -2.326) 6.443 31.845 ( -8.310 0.000 7.118) 10.941 32.346 ( 4.930 -0.000 -8.746) 10.040 35.709 ( -5.688 0.000 2.822) 6.350 35.789 ( 4.010 -0.000 0.377) 4.027 36.129 ( 5.392 -0.000 4.469) 7.004 36.449 ( -3.096 0.000 -5.129) 5.991 52.022 ( 3.226 -0.000 24.561) 24.772 53.467 ( -6.510 0.000 -20.125) 21.151 54.346 ( 8.450 -0.000 4.379) 9.517 54.838 ( -41.108 0.000 -4.911) 41.400 54.982 ( -4.414 0.000 5.310) 6.906 55.338 ( 21.008 -0.000 -10.460) 23.467 58.474 ( -5.004 0.000 5.668) 7.560 58.804 ( 8.937 -0.000 -3.388) 9.558 60.149 ( 22.566 -0.000 10.285) 24.799 60.755 ( -4.056 0.000 -8.063) 9.026 ======================= Grid point 443 (201/355) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 10.065 -1.286 28.401) 30.159 3.234 ( 23.054 -25.892 23.880) 42.097 5.164 ( 11.637 4.249 -7.893) 14.689 5.231 ( -2.228 -1.270 -11.709) 11.986 5.785 ( 2.624 -8.682 61.351) 62.018 7.321 ( 9.353 -7.655 21.990) 25.092 9.161 ( -10.308 -1.761 -16.343) 19.402 9.428 ( 11.097 -5.295 -15.511) 19.794 10.275 ( -3.733 6.133 5.330) 8.942 10.402 ( 5.903 -2.055 3.498) 7.162 11.965 ( -9.677 4.178 0.069) 10.541 12.322 ( 13.507 -0.143 1.485) 13.590 13.100 ( 9.952 -3.050 6.173) 12.102 13.385 ( -13.103 -5.688 -18.135) 23.085 15.848 ( -6.803 -6.003 -1.820) 9.254 16.143 ( 16.537 -5.893 -0.347) 17.559 19.215 ( -14.058 -2.188 3.957) 14.768 19.659 ( -2.309 -0.556 0.143) 2.379 20.724 ( -19.261 5.847 -2.293) 20.259 21.656 ( 10.291 15.275 -3.018) 18.664 21.789 ( -2.346 3.776 -0.600) 4.486 21.985 ( 21.001 -1.702 -12.142) 24.318 30.301 ( -27.863 2.912 -1.836) 28.075 30.750 ( 11.801 0.877 1.365) 11.912 31.029 ( -6.924 2.215 4.332) 8.463 31.401 ( 8.320 1.597 -1.002) 8.531 31.841 ( -4.410 -5.524 7.721) 10.468 32.437 ( 7.358 -8.733 -8.949) 14.508 35.670 ( -2.456 -0.650 2.015) 3.243 35.855 ( 5.308 1.672 1.297) 5.714 36.273 ( 7.698 -1.532 3.199) 8.476 36.367 ( -2.714 -0.517 -5.756) 6.385 52.192 ( -0.936 4.476 24.796) 25.214 53.093 ( -12.255 12.648 -16.752) 24.306 54.376 ( -17.396 -1.928 1.715) 17.586 54.611 ( 5.630 -13.369 5.629) 15.560 55.013 ( 1.769 -1.935 4.801) 5.470 55.573 ( 15.553 -6.173 -11.785) 20.467 58.386 ( -9.919 2.100 3.608) 10.761 58.843 ( 1.841 0.864 -3.503) 4.051 60.436 ( 11.425 6.784 3.479) 13.735 60.634 ( -1.067 -1.202 -9.147) 9.287 ======================= Grid point 444 (202/355) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 7.470 0.037 16.882) 18.461 4.188 ( 29.317 -30.265 25.516) 49.260 5.128 ( 0.850 -3.628 -13.634) 14.134 5.211 ( 4.669 -5.117 -18.580) 19.829 6.278 ( 0.027 -2.143 55.348) 55.389 7.735 ( 16.111 -12.356 3.530) 20.608 8.934 ( -6.530 -2.436 -19.109) 20.341 9.603 ( 10.508 -8.628 -7.514) 15.534 10.185 ( -2.205 6.969 4.409) 8.536 10.555 ( 8.785 -2.642 1.744) 9.338 11.767 ( -11.677 1.086 -1.967) 11.892 12.455 ( 9.945 5.165 -2.112) 11.404 13.199 ( -9.708 -7.048 -10.952) 16.244 13.493 ( 22.402 -7.816 17.621) 29.554 15.835 ( -7.659 -14.027 -6.910) 17.412 16.445 ( 15.856 -5.453 -1.675) 16.851 19.067 ( -15.882 -3.913 6.162) 17.480 19.651 ( -3.792 -2.111 6.005) 7.409 20.314 ( -18.039 10.709 -6.465) 21.952 21.480 ( -7.837 8.305 -3.736) 12.014 21.736 ( 8.351 13.455 -2.081) 15.972 22.114 ( 11.216 4.504 -11.253) 16.514 29.892 ( -23.627 1.067 -0.144) 23.652 30.689 ( -9.079 6.919 0.733) 11.438 31.134 ( 12.309 -1.007 4.982) 13.317 31.499 ( 7.213 0.423 -0.260) 7.230 31.933 ( -1.467 -6.505 8.770) 11.018 32.610 ( 8.257 -10.694 -9.221) 16.357 35.675 ( 0.072 -1.062 1.200) 1.604 35.921 ( 6.047 3.377 2.357) 7.316 36.271 ( -2.832 0.037 -5.128) 5.858 36.449 ( 7.463 -3.172 0.797) 8.148 52.192 ( -7.610 12.233 19.026) 23.866 52.714 ( -7.393 7.185 -9.953) 14.330 54.249 ( -8.220 -4.509 1.668) 9.522 54.844 ( -5.889 -17.457 -0.110) 18.424 55.229 ( 19.882 -0.084 11.037) 22.740 55.782 ( 11.678 -8.636 -8.719) 16.941 58.178 ( -14.583 4.649 -0.047) 15.306 58.810 ( -1.241 0.516 -4.365) 4.567 60.317 ( -4.506 10.059 -5.312) 12.235 60.719 ( 8.144 -2.218 -1.582) 8.587 ======================= Grid point 445 (203/355) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 5.819 0.293 8.649) 10.429 4.888 ( 7.077 -2.624 17.920) 19.445 5.159 ( 0.437 -8.089 -13.144) 15.440 5.345 ( 18.072 -27.646 -14.123) 35.922 6.602 ( -4.612 -0.315 42.744) 42.993 8.094 ( 15.332 -12.537 -9.703) 22.055 8.786 ( 1.349 -1.885 -18.631) 18.775 9.783 ( 6.020 -7.013 -4.097) 10.110 10.107 ( 0.117 8.299 4.147) 9.278 10.748 ( 10.616 -5.450 -2.411) 12.175 11.590 ( -8.875 0.845 -1.098) 8.982 12.504 ( 4.983 1.024 -2.579) 5.704 13.065 ( -11.486 -6.385 -7.142) 14.957 14.135 ( 29.788 -7.142 24.303) 39.102 15.849 ( -6.967 -17.223 -12.345) 22.306 16.696 ( 12.625 -2.732 -1.089) 12.963 18.933 ( -17.150 -5.900 8.016) 19.829 19.657 ( -4.310 1.193 4.436) 6.299 19.919 ( -11.799 7.959 -2.357) 14.427 21.225 ( -10.316 5.388 -6.310) 13.239 21.667 ( 8.601 15.270 -3.491) 17.870 22.091 ( 4.285 6.151 -7.679) 10.731 29.585 ( -18.314 -0.817 0.648) 18.344 30.459 ( -9.186 8.238 0.117) 12.339 31.359 ( 11.449 -1.147 4.232) 12.260 31.594 ( 4.857 -1.317 0.264) 5.039 32.057 ( -0.088 -4.788 9.839) 10.942 32.788 ( 7.989 -9.406 -9.211) 15.399 35.709 ( 1.717 -0.911 0.817) 2.108 35.980 ( 5.631 4.145 2.640) 7.474 36.205 ( -2.130 -0.876 -3.819) 4.459 36.582 ( 5.638 -2.518 -0.519) 6.197 51.969 ( -10.273 14.921 7.550) 19.625 52.567 ( -2.694 1.884 -1.137) 3.479 54.230 ( -3.412 -3.519 1.984) 5.288 54.903 ( -7.162 -13.170 -3.598) 15.417 55.605 ( 17.394 -2.788 2.632) 17.812 56.046 ( 12.533 -9.625 5.343) 16.681 57.868 ( -15.788 6.393 -3.375) 17.365 58.739 ( -3.209 -0.076 -5.605) 6.459 60.101 ( -3.858 8.846 -4.249) 10.545 60.839 ( 5.311 -2.531 -0.640) 5.918 ======================= Grid point 446 (204/355) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 3.588 1.392 4.647) 6.034 4.965 ( 2.735 -2.554 -11.032) 11.649 5.143 ( -1.578 -8.081 -13.010) 15.396 5.886 ( 6.025 -14.487 23.639) 28.372 6.734 ( -8.968 -3.382 17.990) 20.384 8.350 ( 11.657 -11.262 -13.851) 21.321 8.767 ( 9.761 -0.448 -15.545) 18.361 9.896 ( 4.088 -4.773 -4.668) 7.829 10.058 ( 2.939 8.579 6.811) 11.342 10.920 ( 7.566 -3.467 -5.465) 9.956 11.493 ( -2.577 0.401 1.017) 2.799 12.552 ( 0.124 -5.941 -2.469) 6.435 12.920 ( -12.029 -5.570 -4.442) 13.980 14.723 ( 18.511 -1.069 14.553) 23.571 15.919 ( 2.842 -16.742 -8.188) 18.852 16.851 ( 6.445 0.901 1.943) 6.791 18.801 ( -17.905 -5.564 5.198) 19.456 19.499 ( 1.499 11.797 -5.868) 13.261 19.848 ( -7.667 -5.356 13.780) 16.654 20.988 ( -8.946 1.031 -8.323) 12.262 21.584 ( 7.798 13.725 -4.496) 16.413 22.007 ( 0.891 6.025 -5.275) 8.057 29.387 ( -12.667 -2.627 1.754) 13.055 30.245 ( -6.420 7.541 -1.105) 9.965 31.541 ( 7.566 -1.175 3.433) 8.391 31.671 ( 2.958 -1.610 0.474) 3.401 32.173 ( 0.324 -2.325 10.347) 10.610 32.932 ( 7.074 -6.760 -9.321) 13.514 35.752 ( 2.422 0.027 0.847) 2.566 36.013 ( 2.674 3.155 1.155) 4.294 36.191 ( 0.874 -1.413 -0.548) 1.749 36.662 ( 3.156 -1.500 -1.722) 3.896 51.703 ( -8.141 12.061 3.055) 14.869 52.521 ( -1.912 0.660 0.388) 2.059 54.243 ( -1.649 -1.951 1.994) 3.241 54.920 ( -5.578 -10.247 -4.894) 12.652 55.813 ( 9.430 -3.548 -6.384) 11.928 56.385 ( 8.853 -4.336 11.972) 15.508 57.590 ( -8.348 3.884 -0.861) 9.247 58.644 ( -4.518 -0.849 -6.922) 8.309 59.950 ( -1.632 6.283 -1.297) 6.619 60.924 ( 2.888 -2.512 -0.680) 3.888 ======================= Grid point 447 (205/355) ======================= q-point: ( 0.42 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 1.256 4.246 4.367) 6.219 4.890 ( -3.946 -4.271 -19.071) 19.937 5.146 ( 3.341 -6.296 -17.232) 18.648 6.099 ( -20.374 3.864 50.019) 54.147 6.716 ( -4.052 -5.508 -6.835) 9.668 8.520 ( 6.440 -9.522 -10.646) 15.667 8.822 ( 11.616 1.224 -15.620) 19.504 9.910 ( 1.861 5.317 -1.674) 5.877 10.150 ( 8.033 -1.790 6.254) 10.336 10.938 ( 0.445 4.318 -4.203) 6.042 11.520 ( 3.233 -2.074 -0.213) 3.847 12.617 ( -3.446 -11.542 -1.963) 12.205 12.803 ( -8.456 -4.864 -2.835) 10.159 14.797 ( -3.025 7.157 -7.170) 10.573 16.281 ( 17.762 -13.603 8.057) 23.779 16.893 ( -0.221 3.558 5.730) 6.748 18.585 ( -17.422 1.212 -0.565) 17.473 19.449 ( 8.513 6.266 -0.107) 10.571 19.900 ( -6.720 -5.499 11.661) 14.539 20.853 ( -4.504 -4.580 -7.172) 9.628 21.510 ( 6.325 10.164 -5.296) 13.090 21.913 ( -0.515 4.474 -3.822) 5.906 29.304 ( -6.653 -4.433 2.819) 8.477 30.086 ( -2.649 5.532 -2.411) 6.590 31.652 ( 1.370 -2.745 2.956) 4.261 31.723 ( 2.505 0.379 0.346) 2.557 32.264 ( 0.729 0.210 10.202) 10.230 33.023 ( 6.071 -3.379 -9.602) 11.852 35.784 ( 2.174 1.448 1.052) 2.816 36.004 ( -0.345 1.538 0.345) 1.614 36.251 ( 3.614 -1.855 1.542) 4.345 36.689 ( 0.751 -1.027 -2.820) 3.094 51.497 ( -5.464 8.741 2.165) 10.533 52.497 ( -1.306 -0.736 -0.273) 1.524 54.251 ( -1.168 -0.683 1.838) 2.282 54.914 ( -4.627 -7.079 -5.575) 10.129 55.903 ( 4.195 -1.773 -6.098) 7.611 56.477 ( -2.207 3.257 2.748) 4.799 57.598 ( 5.796 -2.494 8.457) 10.551 58.536 ( -5.075 -1.784 -8.084) 9.710 59.880 ( -0.125 3.979 1.380) 4.213 60.973 ( 1.184 -1.735 -1.022) 2.336 ======================= Grid point 448 (206/355) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -2.930 10.497 5.323) 12.129 4.717 ( -7.039 -1.227 -16.641) 18.110 5.072 ( -2.689 -2.094 -24.145) 24.385 6.009 ( -27.852 6.575 55.424) 62.376 6.644 ( -4.279 1.666 -6.407) 7.883 8.598 ( -3.595 -2.989 1.457) 4.897 8.852 ( 13.506 -1.105 -25.197) 28.610 9.848 ( 1.567 8.043 1.302) 8.297 10.316 ( 1.124 -2.667 6.063) 6.718 10.841 ( 1.042 4.615 -3.519) 5.896 11.572 ( 1.663 0.498 -2.126) 2.745 12.686 ( -4.165 -9.936 -1.359) 10.859 12.761 ( -2.650 -4.978 -2.382) 6.122 14.536 ( -5.470 10.478 -10.140) 15.573 16.685 ( 7.152 -5.609 4.256) 10.036 16.897 ( 2.839 2.742 14.225) 14.763 18.266 ( -17.612 7.795 -1.003) 19.287 19.539 ( 7.601 1.820 1.294) 7.922 19.973 ( 1.208 -5.607 6.261) 8.491 20.845 ( -0.320 -5.113 -5.564) 7.564 21.461 ( 3.831 3.805 -5.285) 7.555 21.839 ( -1.138 2.068 -2.572) 3.491 29.333 ( -0.489 -5.577 2.779) 6.250 30.009 ( 1.395 2.350 -3.020) 4.073 31.693 ( -4.058 -4.497 2.713) 6.637 31.735 ( 0.893 2.195 0.308) 2.389 32.333 ( 1.558 2.674 9.817) 10.293 33.055 ( 5.327 0.507 -10.152) 11.476 35.795 ( 1.443 2.494 1.233) 3.134 35.977 ( -1.540 1.489 0.854) 2.306 36.345 ( 3.731 -2.619 1.092) 4.687 36.679 ( -1.079 -1.986 -3.575) 4.230 51.367 ( -2.856 5.813 2.909) 7.100 52.503 ( -0.268 -3.030 -0.439) 3.073 54.253 ( -0.695 -0.011 1.916) 2.038 54.869 ( -4.458 -2.931 -5.488) 7.654 55.868 ( -3.052 4.352 -2.869) 6.040 56.427 ( 1.184 0.205 -1.065) 1.606 57.827 ( 9.147 -3.234 9.956) 13.902 58.428 ( -5.179 -2.692 -9.303) 10.983 59.853 ( -0.303 3.199 2.676) 4.182 60.989 ( 0.296 -0.695 -1.266) 1.474 ======================= Grid point 449 (207/355) ======================= q-point: (-0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -7.779 18.365 7.178) 21.197 4.411 ( -20.773 7.851 -7.797) 23.536 4.873 ( 0.965 0.673 -19.632) 19.667 5.941 ( -26.031 5.445 52.159) 58.547 6.441 ( -9.471 9.084 -2.697) 13.398 8.460 ( -15.439 8.144 8.605) 19.460 8.936 ( 17.907 -7.050 -31.175) 36.637 9.799 ( 1.722 6.613 3.678) 7.760 10.286 ( -9.524 1.005 6.823) 11.759 10.849 ( 3.399 -0.867 -4.784) 5.932 11.507 ( -3.105 4.825 -1.764) 6.002 12.682 ( -2.796 0.438 -1.802) 3.355 12.813 ( 2.640 -6.023 -2.470) 7.025 14.337 ( 0.843 7.723 -3.094) 8.363 16.665 ( -7.782 1.415 1.140) 7.991 17.080 ( 5.949 4.083 9.810) 12.178 17.914 ( -16.306 8.951 6.909) 19.843 19.610 ( 2.560 -1.099 -0.582) 2.846 20.193 ( 13.178 -6.534 4.790) 15.469 20.824 ( 1.187 2.887 -9.334) 9.842 21.468 ( -0.215 -5.476 -4.173) 6.888 21.801 ( -0.862 -0.531 -0.483) 1.122 29.447 ( 5.414 -4.793 0.517) 7.249 30.038 ( 4.949 -2.580 -1.869) 5.886 31.677 ( -6.045 -1.977 2.405) 6.800 31.709 ( -3.549 -1.102 0.651) 3.773 32.380 ( 1.820 5.086 9.554) 10.975 33.028 ( 5.349 4.538 -11.228) 13.239 35.786 ( 0.586 2.823 1.238) 3.137 35.935 ( -1.764 2.648 1.456) 3.499 36.419 ( 1.351 -2.879 -1.396) 3.473 36.668 ( -1.710 -4.131 -3.436) 5.639 51.314 ( -0.488 3.513 4.733) 5.915 52.567 ( 1.306 -6.831 0.496) 6.972 54.261 ( 0.062 0.166 2.114) 2.122 54.781 ( -3.676 2.055 -3.688) 5.598 55.700 ( -6.908 8.088 0.115) 10.637 56.513 ( 7.280 -4.060 -0.163) 8.337 58.043 ( 7.657 -1.915 7.540) 10.916 58.312 ( -5.953 -3.041 -11.625) 13.410 59.812 ( -2.182 4.383 2.694) 5.588 60.986 ( 0.118 0.097 -1.297) 1.306 ======================= Grid point 450 (208/355) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -9.678 23.868 12.583) 28.665 3.881 ( -28.192 14.565 5.343) 32.179 4.816 ( 7.614 4.837 -10.882) 14.134 5.697 ( -36.742 18.724 45.593) 61.476 6.195 ( -11.219 5.102 4.131) 12.999 8.109 ( -22.408 13.973 11.226) 28.695 9.097 ( 21.391 -8.313 -32.039) 39.410 9.790 ( 1.811 5.009 5.253) 7.480 10.211 ( -8.226 -4.498 6.659) 11.500 10.760 ( -7.223 7.121 -5.795) 11.681 11.428 ( -2.628 -1.760 1.456) 3.482 12.594 ( 2.366 10.608 -1.016) 10.916 12.919 ( 3.989 -5.752 -3.578) 7.862 14.335 ( 6.963 4.360 5.348) 9.803 16.476 ( -15.340 1.372 -5.682) 16.416 16.976 ( -3.400 17.993 -3.514) 18.645 17.819 ( -3.096 0.090 26.877) 27.055 19.647 ( 0.606 -2.688 -1.289) 3.042 20.537 ( 16.217 -6.678 3.702) 17.925 20.680 ( 2.651 10.055 -13.368) 16.936 21.488 ( -6.073 -8.845 -3.806) 11.384 21.837 ( 1.149 -4.467 1.889) 4.984 29.598 ( 10.719 -2.082 -3.268) 11.398 30.193 ( 7.216 -9.027 0.684) 11.577 31.608 ( -7.818 -1.391 2.325) 8.274 31.663 ( -6.794 -2.908 0.529) 7.409 32.388 ( -0.026 7.195 9.160) 11.648 32.954 ( 6.786 8.487 -12.914) 16.877 35.762 ( -0.472 2.489 0.876) 2.680 35.887 ( -0.817 4.105 2.294) 4.773 36.427 ( -3.050 -4.413 -4.819) 7.211 36.674 ( -1.779 -4.209 -3.269) 5.618 51.333 ( 1.507 1.824 7.566) 7.927 52.723 ( 3.252 -12.924 1.582) 13.421 54.279 ( 0.490 -0.016 1.730) 1.798 54.680 ( -0.115 7.215 0.418) 7.228 55.499 ( -7.777 8.169 1.600) 11.392 56.720 ( 11.656 -5.905 1.920) 13.207 58.142 ( -8.588 -1.845 -16.360) 18.569 58.205 ( 5.688 -0.874 6.286) 8.522 59.719 ( -4.285 6.586 3.577) 8.633 60.974 ( 0.024 0.538 -1.553) 1.644 ======================= Grid point 451 (209/355) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -8.556 25.104 21.560) 34.179 3.390 ( -24.204 18.230 22.219) 37.575 4.765 ( 3.054 14.269 0.391) 14.597 5.155 ( -35.952 23.187 39.210) 58.031 6.009 ( -16.020 2.767 10.195) 19.189 7.674 ( -24.131 15.286 15.060) 32.292 9.301 ( 23.215 -7.525 -32.712) 40.812 9.797 ( 2.038 4.007 4.966) 6.698 10.215 ( -5.768 -3.061 -1.881) 6.796 10.485 ( -12.273 4.213 4.425) 13.710 11.478 ( -2.346 -9.032 2.066) 9.558 12.508 ( 6.156 14.179 0.800) 15.478 12.993 ( 2.713 -2.879 -4.985) 6.364 14.483 ( 10.032 2.781 10.766) 14.977 16.066 ( -23.393 4.861 -17.308) 29.503 16.657 ( -3.675 20.938 -1.369) 21.302 18.162 ( 14.409 -6.004 37.502) 40.621 19.670 ( -1.426 -2.631 -0.376) 3.016 20.431 ( 0.210 10.605 -17.222) 20.226 20.922 ( 18.378 -3.868 5.390) 19.539 21.448 ( -9.657 -8.008 -2.164) 12.731 21.941 ( 0.917 -6.781 1.670) 7.044 29.767 ( 15.060 0.007 -5.353) 15.983 30.456 ( 7.604 -14.385 1.799) 16.370 31.521 ( -9.826 -3.518 1.507) 10.545 31.584 ( -8.124 -1.741 0.148) 8.310 32.325 ( -4.055 8.347 7.887) 12.179 32.845 ( 8.472 12.639 -14.928) 21.316 35.729 ( -1.172 1.618 0.505) 2.061 35.852 ( 0.746 4.936 3.396) 6.038 36.369 ( -8.170 -6.429 -7.621) 12.891 36.653 ( -2.568 -1.334 -3.555) 4.584 51.419 ( 3.111 0.460 11.554) 11.974 52.991 ( 4.516 -21.156 -0.316) 21.635 54.290 ( -0.061 0.159 0.200) 0.263 54.641 ( 7.406 10.824 6.010) 14.427 55.307 ( -7.875 6.817 2.329) 10.673 56.974 ( 9.229 -5.103 -4.115) 11.320 57.885 ( -8.010 0.720 -14.282) 16.390 58.330 ( 4.550 -0.430 5.779) 7.368 59.603 ( -4.207 7.652 7.908) 11.781 60.950 ( -0.533 0.634 -2.466) 2.601 ======================= Grid point 452 (210/355) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -5.226 24.160 29.459) 38.456 3.033 ( -20.707 22.015 36.162) 47.129 4.508 ( -19.718 11.987 27.692) 36.046 4.882 ( -1.733 19.643 29.092) 35.146 5.802 ( -16.088 2.022 7.053) 17.682 7.287 ( -21.325 12.541 19.458) 31.474 9.449 ( 17.127 -3.479 -32.037) 36.494 9.831 ( 4.028 3.203 -2.871) 5.893 10.000 ( -7.411 8.153 1.197) 11.082 10.482 ( -8.273 -12.733 6.022) 16.335 11.594 ( 0.048 -11.036 2.390) 11.292 12.430 ( 3.987 13.409 1.222) 14.042 12.998 ( 0.890 0.290 -4.612) 4.706 14.607 ( -2.428 1.730 1.091) 3.175 15.581 ( -10.362 6.808 -13.159) 18.080 16.357 ( -4.949 18.140 0.480) 18.809 18.904 ( 34.968 -12.194 34.858) 50.858 19.648 ( -5.736 -0.743 2.065) 6.142 20.241 ( 6.903 6.694 -14.288) 17.222 21.223 ( 9.192 -1.965 6.744) 11.568 21.393 ( -5.519 -6.296 -0.740) 8.405 22.022 ( -1.601 -5.713 0.317) 5.942 29.971 ( 18.125 0.572 -4.641) 18.719 30.753 ( 5.311 -16.828 0.405) 17.650 31.423 ( -10.911 -5.140 -1.478) 12.152 31.474 ( -8.588 -0.090 0.507) 8.604 32.183 ( -8.265 8.157 6.043) 13.091 32.675 ( 6.320 16.408 -16.076) 23.824 35.708 ( -0.485 0.159 0.736) 0.896 35.834 ( 0.887 4.835 3.964) 6.314 36.230 ( -12.081 -4.649 -7.145) 14.786 36.592 ( -2.627 0.603 -3.173) 4.163 51.573 ( 4.364 -0.813 16.494) 17.081 53.314 ( 2.692 -26.246 -7.939) 27.552 54.278 ( 0.940 2.296 -0.633) 2.560 54.738 ( 14.083 7.759 8.500) 18.188 55.151 ( -5.959 4.690 2.627) 8.025 56.703 ( -27.166 10.425 -29.923) 41.738 58.010 ( 22.544 -7.535 7.670) 24.976 58.430 ( 3.533 0.166 5.752) 6.752 59.563 ( 0.409 5.724 14.929) 15.994 60.908 ( -1.472 0.208 -3.928) 4.200 ======================= Grid point 453 (211/355) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -2.349 23.052 34.944) 41.928 2.791 ( -16.614 12.371 38.205) 43.459 4.556 ( 0.342 -7.291 35.962) 36.695 4.913 ( 8.895 20.834 32.550) 39.657 5.598 ( -14.482 0.908 3.927) 15.032 7.052 ( -14.863 6.949 24.495) 29.482 9.444 ( 9.895 0.453 -28.257) 29.943 9.641 ( -8.613 5.120 -8.913) 13.411 10.059 ( 8.609 -0.686 5.167) 10.064 10.501 ( -10.097 -6.920 2.299) 12.455 11.787 ( 6.624 -9.921 3.307) 12.379 12.312 ( -2.165 9.897 1.303) 10.214 12.970 ( 0.983 1.229 -2.983) 3.373 14.265 ( -24.152 3.395 -20.265) 31.710 15.563 ( 14.425 1.590 1.991) 14.648 16.102 ( -6.142 11.597 1.748) 13.239 19.527 ( -7.666 0.268 2.031) 7.935 19.618 ( 13.903 -3.164 0.313) 14.262 20.548 ( 45.028 -8.988 5.136) 46.202 21.216 ( -13.728 -3.791 3.584) 14.686 21.528 ( 11.517 0.921 4.043) 12.241 22.024 ( -4.822 -2.923 -1.063) 5.738 30.218 ( 19.579 0.332 -2.162) 19.701 30.962 ( -4.317 -13.760 -3.400) 14.817 31.301 ( -9.690 -3.390 -3.380) 10.808 31.344 ( -7.957 1.456 0.315) 8.095 31.988 ( -10.967 6.343 5.736) 13.908 32.445 ( 2.775 13.199 -12.297) 18.252 35.726 ( 0.735 -1.528 1.211) 2.083 35.796 ( -3.196 3.180 2.602) 5.206 36.094 ( -4.421 -0.292 0.294) 4.440 36.524 ( -2.728 0.265 -3.853) 4.728 51.789 ( 4.793 -1.436 21.334) 21.912 53.525 ( -1.176 -19.160 -16.069) 25.034 54.270 ( 4.176 4.200 0.597) 5.953 54.932 ( 1.309 -6.093 6.288) 8.853 55.097 ( 8.921 4.835 -0.099) 10.147 55.775 ( -40.969 19.888 -24.186) 51.565 58.447 ( 3.293 -4.450 6.347) 8.422 58.575 ( 20.371 -1.731 0.375) 20.448 59.742 ( 14.383 0.539 18.786) 23.666 60.847 ( -2.594 -0.445 -5.771) 6.343 ======================= Grid point 455 (212/355) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 25.513 -0.000 8.145) 26.781 3.464 ( 31.627 -0.000 26.948) 41.551 5.105 ( -2.671 0.000 -7.492) 7.954 5.161 ( 0.778 -0.000 -19.672) 19.687 6.253 ( 4.364 -0.000 59.435) 59.595 7.576 ( 17.809 -0.000 4.156) 18.288 8.908 ( -3.940 0.000 -21.681) 22.036 9.478 ( 10.282 -0.000 -6.507) 12.168 10.280 ( -3.012 0.000 3.122) 4.338 10.527 ( 7.668 -0.000 4.994) 9.151 11.777 ( -13.449 0.000 -2.731) 13.724 12.535 ( 9.030 -0.000 -1.943) 9.237 13.101 ( -7.137 0.000 -12.115) 14.061 13.401 ( 24.433 -0.000 17.432) 30.014 15.657 ( -8.474 0.000 -6.252) 10.530 16.372 ( 18.393 -0.000 -1.632) 18.466 19.016 ( -15.885 0.000 5.364) 16.766 19.620 ( -4.339 0.000 4.897) 6.543 20.447 ( -19.037 0.000 -6.278) 20.046 21.563 ( -12.842 0.000 -4.126) 13.489 21.934 ( 3.556 -0.000 4.767) 5.948 22.177 ( 18.770 -0.000 -21.450) 28.502 29.909 ( -25.354 0.000 -0.647) 25.362 30.783 ( -8.254 0.000 2.353) 8.583 31.123 ( 11.110 -0.000 5.912) 12.585 31.488 ( 2.654 -0.000 -0.123) 2.657 31.856 ( 3.115 -0.000 7.812) 8.410 32.468 ( 10.352 -0.000 -6.732) 12.349 35.662 ( 0.118 -0.000 1.503) 1.508 35.969 ( 6.785 -0.000 2.230) 7.142 36.274 ( -2.946 0.000 -6.628) 7.253 36.401 ( 7.738 -0.000 1.940) 7.977 52.353 ( -5.576 0.000 25.348) 25.954 52.823 ( -15.708 0.000 -16.844) 23.032 54.196 ( -5.275 0.000 1.395) 5.456 54.591 ( -1.808 0.000 3.273) 3.739 55.247 ( 19.106 -0.000 13.261) 23.257 55.662 ( 12.531 -0.000 -12.191) 17.482 58.237 ( -14.347 0.000 0.570) 14.358 58.810 ( -2.832 0.000 -3.814) 4.751 60.477 ( -4.081 0.000 -12.160) 12.827 60.666 ( 7.393 -0.000 1.890) 7.631 ======================= Grid point 456 (213/355) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( 27.878 25.383 3.791) 37.893 4.416 ( 33.458 -33.024 15.210) 49.410 5.007 ( -1.729 -2.436 -21.811) 22.014 5.053 ( -0.358 -0.945 -3.894) 4.023 6.625 ( -5.745 1.291 48.963) 49.316 7.868 ( 20.365 -5.545 -11.520) 24.046 8.771 ( 6.954 0.070 -22.451) 23.503 9.610 ( 6.496 -5.190 -2.515) 8.687 10.254 ( 0.412 3.553 1.791) 4.000 10.683 ( 8.688 -0.819 4.019) 9.608 11.587 ( -10.560 -0.527 -0.455) 10.582 12.537 ( -1.669 1.175 -6.354) 6.674 12.968 ( -5.628 -1.935 -6.618) 8.901 14.025 ( 35.566 -2.187 25.197) 43.642 15.534 ( -6.315 -7.517 -9.923) 13.959 16.635 ( 18.188 -1.766 -3.777) 18.660 18.824 ( -18.263 -2.566 7.044) 19.741 19.610 ( -5.433 -1.918 9.682) 11.267 20.108 ( -14.444 4.793 -9.765) 18.082 21.313 ( -14.632 1.860 -5.910) 15.889 21.959 ( 2.917 6.850 1.766) 7.652 22.214 ( 8.296 3.550 -16.135) 18.487 29.576 ( -19.544 -0.098 -0.029) 19.544 30.631 ( -9.920 4.768 2.736) 11.341 31.338 ( 11.137 -0.349 5.865) 12.592 31.513 ( -1.328 -3.588 1.162) 3.999 31.994 ( 6.367 -0.883 7.505) 9.882 32.612 ( 11.081 -4.347 -6.737) 13.678 35.691 ( 2.147 -0.439 1.055) 2.432 36.071 ( 6.528 2.629 2.108) 7.347 36.192 ( -2.188 -0.248 -5.077) 5.534 36.522 ( 5.836 -1.879 0.414) 6.145 52.310 ( -11.740 12.117 12.205) 20.823 52.549 ( -9.748 -3.970 -4.230) 11.344 54.196 ( 2.471 0.302 1.611) 2.965 54.608 ( -3.930 -8.807 -1.587) 9.774 55.634 ( 19.090 4.605 7.586) 21.052 55.817 ( 13.813 -8.866 0.333) 16.417 57.981 ( -16.646 2.635 -2.823) 17.088 58.722 ( -5.312 -0.722 -4.850) 7.230 60.305 ( -2.274 6.310 -10.920) 12.816 60.762 ( 2.292 -3.052 1.060) 3.962 ======================= Grid point 457 (214/355) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 25.195 24.171 -3.433) 35.083 4.876 ( -0.640 -4.232 -20.340) 20.785 5.060 ( 4.229 -0.889 -5.829) 7.256 5.349 ( 26.830 -27.844 14.782) 41.397 6.720 ( -18.055 1.612 35.014) 39.428 8.128 ( 18.513 -7.086 -17.910) 26.716 8.800 ( 16.946 2.379 -17.215) 24.273 9.732 ( 2.680 -7.392 -3.307) 8.530 10.241 ( 3.634 5.782 2.448) 7.254 10.850 ( 9.449 -1.559 0.541) 9.592 11.492 ( -4.921 -0.862 3.342) 6.010 12.418 ( -9.612 -4.346 -7.607) 13.005 12.863 ( -5.938 -0.211 -2.670) 6.514 14.701 ( 26.713 -0.601 17.163) 31.757 15.558 ( 5.515 -11.964 -5.711) 14.359 16.871 ( 15.606 0.304 -3.866) 16.081 18.650 ( -18.328 -5.461 7.312) 20.475 19.631 ( -5.343 -1.881 9.981) 11.476 19.824 ( -7.061 4.584 -5.985) 10.329 21.025 ( -14.552 1.547 -8.326) 16.837 21.894 ( 2.752 10.411 -1.686) 10.900 22.144 ( 2.006 4.955 -9.688) 11.065 29.344 ( -13.366 -1.084 0.572) 13.422 30.437 ( -8.114 7.624 1.771) 11.274 31.495 ( 1.339 -2.575 4.230) 5.130 31.588 ( 4.258 -4.189 3.264) 6.806 32.145 ( 5.795 -0.250 7.604) 9.564 32.779 ( 10.296 -5.300 -7.791) 13.957 35.745 ( 3.488 -0.387 0.760) 3.591 36.076 ( -0.260 1.314 -4.889) 5.069 36.196 ( 3.983 2.082 3.774) 5.868 36.614 ( 3.305 -2.351 -0.730) 4.121 52.011 ( -10.162 13.061 -0.311) 16.551 52.489 ( -8.640 -3.815 5.418) 10.888 54.249 ( 4.299 2.364 2.177) 5.367 54.662 ( -1.733 -10.553 -4.381) 11.557 55.771 ( 9.740 0.082 -8.174) 12.716 56.248 ( 15.807 -6.110 17.644) 24.464 57.689 ( -12.950 3.715 -3.140) 13.834 58.609 ( -6.751 -1.576 -6.034) 9.191 60.133 ( -0.217 7.974 -7.472) 10.929 60.831 ( 0.159 -4.844 0.402) 4.863 ======================= Grid point 458 (215/355) ======================= q-point: ( 0.33 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 23.097 22.288 -4.840) 32.460 4.792 ( 1.578 -3.397 -19.844) 20.195 5.083 ( 5.966 0.528 -10.917) 12.452 6.028 ( 10.239 -12.680 27.358) 31.844 6.594 ( -20.690 -1.744 16.704) 26.649 8.326 ( 15.302 -6.426 -19.213) 25.389 8.918 ( 17.486 5.901 -11.564) 21.779 9.832 ( 2.741 -7.907 -5.025) 9.761 10.263 ( 6.215 6.929 5.354) 10.738 10.973 ( 5.364 -0.459 -3.075) 6.200 11.496 ( 0.570 -0.019 3.888) 3.929 12.299 ( -11.966 -12.467 -5.005) 17.990 12.772 ( -4.555 0.479 -0.608) 4.620 14.887 ( -0.493 0.663 -9.715) 9.750 15.993 ( 26.442 -9.472 13.911) 31.343 17.010 ( 9.760 5.210 -0.505) 11.075 18.523 ( -13.425 -5.092 3.680) 14.822 19.597 ( 3.173 5.115 -4.436) 7.478 19.760 ( -9.180 -5.225 14.799) 18.182 20.767 ( -10.958 -2.308 -10.455) 15.321 21.780 ( 1.969 10.992 -3.518) 11.708 22.034 ( -1.121 5.099 -5.862) 7.850 29.222 ( -7.181 -2.445 1.666) 7.767 30.252 ( -4.974 7.806 0.035) 9.256 31.537 ( -4.960 -5.874 3.675) 8.521 31.725 ( 5.717 -0.619 3.389) 6.674 32.271 ( 4.439 0.436 7.594) 8.806 32.923 ( 9.367 -4.475 -9.071) 13.786 35.803 ( 3.485 0.354 0.256) 3.512 36.025 ( -1.258 -0.275 -3.641) 3.862 36.258 ( 4.145 2.680 4.400) 6.612 36.660 ( 0.645 -1.667 -1.564) 2.375 51.733 ( -7.276 10.846 -1.079) 13.105 52.444 ( -7.935 -4.066 3.342) 9.522 54.285 ( 3.265 3.326 1.944) 5.050 54.741 ( 1.842 -7.341 -4.615) 8.864 55.848 ( 6.832 -2.101 -8.129) 10.824 56.523 ( 1.604 0.304 9.008) 9.155 57.569 ( 1.144 -0.005 5.606) 5.721 58.483 ( -7.247 -2.293 -6.988) 10.325 60.015 ( 1.570 6.927 -3.553) 7.942 60.886 ( -1.007 -5.286 -0.258) 5.387 ======================= Grid point 459 (216/355) ======================= q-point: ( 0.42 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.766 ( 20.830 23.480 -1.837) 31.442 4.716 ( 3.637 1.523 -16.440) 16.906 5.046 ( 2.845 0.421 -18.973) 19.189 6.188 ( -28.310 7.913 54.348) 61.788 6.577 ( 5.523 -7.893 -6.424) 11.579 8.472 ( 12.708 -5.604 -17.563) 22.391 8.968 ( 10.712 8.732 -9.210) 16.608 9.906 ( 1.139 -4.031 -5.461) 6.883 10.336 ( 7.045 4.903 7.273) 11.250 10.936 ( -4.448 2.464 -5.356) 7.385 11.550 ( 3.519 -1.010 0.072) 3.662 12.350 ( -2.813 -15.639 2.446) 16.077 12.712 ( -2.939 -0.546 -0.609) 3.050 14.704 ( -5.931 3.282 -15.480) 16.899 16.535 ( 17.429 -5.662 12.375) 22.112 17.053 ( 7.464 8.870 6.572) 13.326 18.396 ( -8.569 2.690 -0.987) 9.035 19.592 ( 5.249 3.056 -3.465) 6.993 19.817 ( -6.511 -7.425 14.975) 17.938 20.654 ( -3.933 -8.939 -8.704) 13.082 21.645 ( 0.289 9.652 -4.638) 10.713 21.917 ( -2.465 4.114 -3.910) 6.188 29.216 ( -1.024 -3.980 2.838) 4.994 30.116 ( -1.020 6.158 -1.857) 6.512 31.548 ( -7.236 -6.622 3.682) 10.477 31.795 ( 2.054 1.833 2.038) 3.425 32.373 ( 3.525 0.953 7.615) 8.445 33.031 ( 8.973 -2.267 -10.172) 13.752 35.831 ( 1.437 0.755 -0.882) 1.847 36.001 ( -0.311 0.099 -0.402) 0.518 36.316 ( 3.223 0.842 2.931) 4.437 36.652 ( -1.702 -0.769 -2.168) 2.862 51.530 ( -4.680 7.911 0.221) 9.195 52.407 ( -6.502 -5.318 0.775) 8.436 54.296 ( 2.351 3.304 1.496) 4.323 54.816 ( 4.331 -1.725 -3.196) 5.652 55.897 ( 2.988 -1.166 -5.937) 6.748 56.472 ( -4.984 2.985 0.181) 5.813 57.755 ( 9.611 -2.636 11.907) 15.527 58.359 ( -6.998 -2.867 -7.673) 10.773 59.958 ( 2.283 5.477 -0.440) 5.950 60.922 ( -1.825 -4.790 -0.781) 5.185 ======================= Grid point 460 (217/355) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 15.111 29.304 2.223) 33.046 4.605 ( -2.137 8.983 -9.374) 13.158 4.911 ( 3.683 1.732 -19.225) 19.651 6.058 ( -25.293 5.498 50.295) 56.564 6.630 ( -0.428 5.228 1.520) 5.461 8.578 ( 7.344 -1.174 -9.660) 12.192 8.907 ( 7.176 7.587 -14.244) 17.662 9.879 ( -3.358 -0.971 -3.548) 4.981 10.395 ( 0.900 7.400 7.613) 10.654 10.794 ( -5.266 -2.522 -7.011) 9.124 11.582 ( 0.555 1.233 -2.141) 2.532 12.568 ( 5.527 -8.670 6.520) 12.175 12.703 ( -0.166 -3.413 -0.758) 3.500 14.491 ( -2.602 4.290 -10.853) 11.957 16.696 ( -4.075 1.003 2.248) 4.761 17.200 ( 13.981 6.758 13.595) 20.639 18.174 ( -9.083 11.812 -0.082) 14.901 19.593 ( 0.867 -0.002 -2.906) 3.033 20.001 ( 6.645 -9.389 9.168) 14.709 20.718 ( 1.049 -10.844 -5.077) 12.020 21.493 ( -2.548 6.668 -6.240) 9.481 21.817 ( -2.968 1.936 -2.226) 4.184 29.321 ( 4.756 -5.111 3.231) 7.693 30.056 ( 3.105 3.388 -3.211) 5.606 31.534 ( -8.956 -6.709 3.369) 11.687 31.771 ( -2.453 2.967 0.770) 3.926 32.458 ( 2.675 1.677 7.879) 8.488 33.096 ( 9.308 1.183 -11.446) 14.801 35.821 ( -0.832 0.013 -1.432) 1.656 35.996 ( 0.438 2.328 2.123) 3.181 36.366 ( 1.387 -1.177 -0.145) 1.825 36.610 ( -2.900 -0.919 -1.810) 3.540 51.412 ( -2.322 4.880 2.494) 5.952 52.399 ( -4.744 -7.391 -0.699) 8.810 54.301 ( 2.297 2.983 1.326) 3.991 54.861 ( 5.891 4.379 -0.407) 7.352 55.847 ( -3.922 3.826 -2.589) 6.060 56.429 ( 1.989 -2.431 -1.618) 3.534 57.998 ( 8.545 -1.819 9.789) 13.121 58.238 ( -6.764 -2.976 -8.559) 11.308 59.929 ( 1.548 5.299 1.128) 5.635 60.938 ( -2.303 -4.041 -0.970) 4.751 ======================= Grid point 461 (218/355) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 8.561 34.739 6.519) 36.368 4.256 ( -16.329 17.157 1.890) 23.760 4.949 ( 19.221 5.190 -11.719) 23.103 5.984 ( -25.583 6.546 50.426) 56.923 6.457 ( -7.642 15.215 2.360) 17.189 8.471 ( -10.155 14.824 6.491) 19.105 8.914 ( 17.438 -5.341 -28.469) 33.809 9.829 ( -4.375 -3.648 -0.155) 5.699 10.283 ( -3.864 11.558 5.363) 13.314 10.758 ( -3.799 -6.069 -5.832) 9.234 11.491 ( -5.149 5.169 -1.557) 7.461 12.726 ( 4.009 -1.911 0.827) 4.518 12.796 ( 5.504 -1.707 3.633) 6.813 14.421 ( 4.878 2.216 -1.264) 5.505 16.538 ( -12.074 3.825 -2.720) 12.954 17.356 ( 10.695 12.330 2.701) 16.544 17.919 ( -9.131 9.607 14.021) 19.294 19.596 ( 1.341 -1.544 -3.409) 3.975 20.333 ( 14.039 -10.414 5.451) 18.310 20.808 ( 2.977 -2.871 -5.002) 6.491 21.334 ( -6.735 -0.404 -7.843) 10.346 21.763 ( -2.579 -1.518 -0.033) 2.993 29.509 ( 9.729 -4.906 2.032) 11.084 30.086 ( 6.605 -0.462 -3.130) 7.324 31.491 ( -10.663 -6.336 2.658) 12.685 31.678 ( -6.142 2.129 0.362) 6.511 32.510 ( 0.455 3.103 7.897) 8.497 33.118 ( 10.735 5.129 -13.318) 17.858 35.792 ( -2.064 -0.378 -1.266) 2.451 35.985 ( 0.718 4.030 3.236) 5.218 36.356 ( -3.123 -1.450 -4.405) 5.591 36.588 ( -1.741 -2.597 -0.197) 3.133 51.379 ( -0.298 2.204 5.438) 5.876 52.442 ( -3.053 -10.636 -1.117) 11.122 54.312 ( 2.665 2.776 1.266) 4.051 54.886 ( 7.832 9.585 3.654) 12.906 55.680 ( -7.788 6.755 -0.446) 10.319 56.560 ( 8.411 -7.089 -0.828) 11.031 58.093 ( -6.949 -2.147 -11.364) 13.492 58.184 ( 5.405 -0.823 7.493) 9.276 59.880 ( 0.031 6.713 1.779) 6.945 60.939 ( -2.639 -3.398 -1.082) 4.436 ======================= Grid point 462 (219/355) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 4.878 36.668 13.817) 39.487 3.851 ( -13.727 21.723 15.908) 30.222 5.106 ( 22.574 12.288 -5.723) 26.332 5.755 ( -32.252 22.429 49.173) 62.938 6.146 ( -12.371 11.900 4.719) 17.803 8.102 ( -18.147 19.738 11.482) 29.167 9.096 ( 22.372 -9.023 -30.629) 38.988 9.844 ( -2.909 -5.782 2.398) 6.903 10.149 ( -2.086 7.938 4.201) 9.220 10.661 ( -8.484 2.918 -5.148) 10.343 11.355 ( -6.490 0.406 2.369) 6.920 12.761 ( 3.011 4.317 -2.006) 5.633 12.909 ( 5.171 -0.958 2.171) 5.689 14.545 ( 10.107 1.558 7.694) 12.797 16.216 ( -16.490 7.437 -9.968) 20.654 17.182 ( 0.833 22.344 -8.106) 23.783 18.030 ( 5.629 -4.417 31.252) 32.060 19.617 ( 1.465 -1.599 -2.522) 3.326 20.617 ( 5.326 -0.059 -6.566) 8.455 20.849 ( 13.132 0.774 1.901) 13.291 21.216 ( -10.572 -9.860 -7.569) 16.318 21.783 ( -1.581 -5.732 1.525) 6.138 29.736 ( 13.853 -2.943 -0.709) 14.180 30.218 ( 8.416 -5.375 -1.091) 10.046 31.409 ( -12.241 -5.582 1.602) 13.549 31.559 ( -8.741 -0.174 0.474) 8.755 32.493 ( -3.267 5.343 7.028) 9.413 33.105 ( 12.532 8.827 -15.906) 22.090 35.754 ( -2.360 -0.119 -0.909) 2.532 35.969 ( 0.936 4.612 3.454) 5.837 36.264 ( -6.692 -1.861 -5.560) 8.898 36.598 ( -1.700 -2.808 -0.824) 3.385 51.424 ( 1.296 -0.008 8.977) 9.070 52.551 ( -1.876 -15.340 -1.424) 15.520 54.330 ( 3.340 3.162 1.324) 4.786 54.924 ( 10.069 12.519 7.753) 17.838 55.472 ( -8.818 6.913 -0.007) 11.205 56.800 ( 10.468 -8.890 -1.788) 13.849 57.900 ( -7.762 0.377 -12.760) 14.940 58.312 ( 3.994 -0.939 6.187) 7.424 59.801 ( -0.481 8.476 3.709) 9.264 60.924 ( -3.281 -2.844 -1.819) 4.708 ======================= Grid point 463 (220/355) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 7.582 36.758 22.814) 43.922 3.580 ( -8.232 23.493 28.429) 37.788 5.049 ( -16.233 28.860 19.380) 38.367 5.390 ( 5.725 22.174 16.365) 28.147 5.900 ( -17.104 7.540 17.237) 25.426 7.684 ( -18.884 19.742 17.133) 32.247 9.319 ( 22.408 -7.636 -31.483) 39.390 9.886 ( -1.166 -3.445 0.105) 3.638 10.096 ( -1.954 2.573 4.084) 5.207 10.404 ( -10.731 8.236 -0.118) 13.528 11.360 ( -2.817 -7.454 5.865) 9.895 12.693 ( 0.418 7.057 -4.694) 8.486 12.990 ( 3.576 0.363 0.968) 3.722 14.682 ( 1.760 3.912 3.973) 5.847 15.809 ( -9.145 11.522 -9.437) 17.477 16.849 ( -2.311 21.705 -6.518) 22.780 18.566 ( 20.093 -14.835 33.890) 42.099 19.628 ( -0.735 -0.431 -0.688) 1.095 20.465 ( 1.022 10.913 -12.370) 16.527 21.113 ( -8.087 -9.003 1.855) 12.243 21.194 ( 12.879 -8.114 -2.525) 15.430 21.854 ( -1.961 -7.699 1.155) 8.029 29.972 ( 17.134 -0.897 -2.769) 17.379 30.429 ( 7.160 -9.563 1.422) 12.031 31.294 ( -12.868 -5.408 0.270) 13.961 31.435 ( -10.365 -2.211 0.192) 10.600 32.385 ( -6.685 7.847 5.690) 11.775 33.037 ( 11.574 12.747 -19.198) 25.788 35.719 ( -1.595 0.104 -0.316) 1.629 35.942 ( -1.359 3.564 2.037) 4.324 36.152 ( -5.632 -0.745 -2.706) 6.293 36.581 ( -2.763 -1.501 -2.292) 3.891 51.540 ( 2.433 -1.991 13.160) 13.530 52.728 ( -1.690 -20.806 -3.098) 21.103 54.355 ( 4.956 4.354 1.754) 6.826 54.979 ( 7.421 11.894 10.467) 17.495 55.277 ( -5.540 5.833 -1.122) 8.122 56.861 ( -8.053 1.351 -18.691) 20.397 57.844 ( 10.144 -5.158 0.916) 11.417 58.413 ( 2.480 -1.473 5.387) 6.110 59.741 ( 1.695 8.641 8.281) 12.088 60.883 ( -4.185 -2.468 -3.472) 5.971 ======================= Grid point 464 (221/355) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 14.961 37.124 27.153) 48.367 3.345 ( -14.641 30.803 34.884) 48.786 4.630 ( -13.803 15.347 32.143) 38.200 5.429 ( 17.955 16.981 -2.814) 24.873 5.697 ( -15.755 11.202 27.425) 33.553 7.356 ( -13.778 17.657 24.095) 32.897 9.451 ( 17.080 -1.077 -30.172) 34.687 9.801 ( -9.353 4.271 -9.331) 13.885 10.061 ( 1.252 2.287 7.281) 7.734 10.304 ( -4.067 -4.572 5.579) 8.281 11.522 ( 3.244 -10.651 8.194) 13.824 12.547 ( -3.021 7.360 -6.526) 10.290 13.018 ( 2.433 3.067 1.107) 4.069 14.420 ( -18.929 9.165 -15.836) 26.326 15.689 ( 10.447 8.931 4.819) 14.564 16.516 ( -3.037 20.342 -5.539) 21.300 19.334 ( 20.430 -19.858 21.081) 35.442 19.576 ( -5.936 2.333 1.771) 6.620 20.393 ( 16.232 0.393 -6.528) 17.500 21.038 ( -14.633 -10.861 -1.480) 18.284 21.506 ( 16.050 -3.464 1.884) 16.527 21.904 ( -3.852 -6.669 -0.298) 7.707 30.224 ( 18.949 -0.196 -2.318) 19.091 30.630 ( -0.951 -11.359 2.410) 11.651 31.181 ( -10.467 -5.610 -0.833) 11.904 31.315 ( -9.420 -3.062 -1.000) 9.956 32.201 ( -8.736 9.830 5.181) 14.135 32.854 ( 6.846 17.151 -20.255) 27.410 35.709 ( 0.094 -0.316 0.622) 0.704 35.854 ( -6.910 1.243 0.027) 7.021 36.114 ( 2.192 2.636 2.601) 4.303 36.526 ( -3.311 -0.383 -3.492) 4.828 51.723 ( 2.922 -3.943 17.761) 18.427 52.937 ( -2.869 -24.471 -6.878) 25.580 54.400 ( 7.850 6.223 2.670) 10.367 54.928 ( -9.787 4.792 8.077) 13.564 55.221 ( 7.995 6.440 -0.324) 10.272 56.302 ( -22.483 19.282 -26.674) 39.859 58.245 ( 16.069 -11.404 6.591) 20.778 58.512 ( 5.647 -3.320 2.753) 7.106 59.800 ( 8.455 4.714 13.747) 16.813 60.814 ( -4.682 -2.414 -5.724) 7.779 ======================= Grid point 465 (222/355) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -2.084 37.875 30.299) 48.547 3.091 ( 6.245 22.871 30.996) 39.024 4.803 ( 11.427 -4.305 26.973) 29.609 5.380 ( 2.407 4.336 -17.469) 18.159 5.618 ( -2.838 19.533 43.823) 48.063 7.223 ( -3.178 13.875 28.413) 31.779 9.425 ( 4.027 3.596 -22.457) 23.097 9.510 ( -4.050 6.751 -12.955) 15.160 10.166 ( 2.260 -4.893 6.048) 8.101 10.352 ( -1.074 -2.696 3.602) 4.625 11.802 ( 7.246 -11.707 8.648) 16.259 12.356 ( -3.874 7.215 -6.054) 10.184 13.025 ( 3.910 4.159 2.119) 6.089 13.863 ( -19.885 9.603 -21.307) 30.686 15.838 ( 12.112 4.755 6.610) 14.594 16.212 ( -1.488 17.435 -5.062) 18.215 19.418 ( -12.159 3.240 3.251) 12.997 19.667 ( 2.141 -2.866 -0.543) 3.618 20.878 ( -7.466 -15.249 1.053) 17.011 21.029 ( 26.755 -18.060 -1.686) 32.324 21.753 ( 12.518 -0.670 0.628) 12.552 21.892 ( -3.860 -3.479 -2.688) 5.850 30.491 ( 16.044 -0.965 0.259) 16.076 30.620 ( -17.208 -8.184 -1.226) 19.095 31.111 ( -10.402 -4.637 2.373) 11.633 31.276 ( 3.314 -3.242 -2.691) 5.360 31.988 ( -8.474 9.985 6.298) 14.532 32.593 ( 4.494 16.920 -14.872) 22.971 35.716 ( -3.102 0.644 2.017) 3.756 35.777 ( 0.209 -1.062 0.530) 1.205 36.170 ( 6.446 3.152 3.987) 8.208 36.451 ( -3.239 0.038 -4.697) 5.706 51.956 ( 2.052 -5.281 21.998) 22.716 53.100 ( -5.900 -22.951 -12.000) 26.562 54.468 ( 8.331 8.116 4.908) 12.624 54.753 ( -15.058 -0.406 3.057) 15.370 55.201 ( -7.076 8.707 0.697) 11.241 55.637 ( 0.923 21.866 -18.799) 28.851 58.428 ( -4.552 -3.798 5.793) 8.289 58.744 ( 11.229 -5.485 -3.123) 12.882 60.085 ( 17.036 -3.630 12.249) 21.294 60.729 ( -4.090 -2.103 -8.096) 9.311 ======================= Grid point 468 (223/355) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 31.740 -0.000 -21.607) 38.397 4.679 ( 26.906 -0.000 -5.457) 27.454 4.855 ( 6.513 -0.000 -1.414) 6.664 5.102 ( 4.066 -0.000 9.015) 9.889 6.753 ( -19.950 0.000 39.346) 44.115 8.036 ( 22.328 -0.000 -20.697) 30.445 8.837 ( 20.994 -0.000 -19.230) 28.471 9.626 ( 1.468 -0.000 -1.146) 1.862 10.314 ( 4.485 -0.000 -0.384) 4.501 10.837 ( 8.446 -0.000 4.400) 9.524 11.473 ( -5.647 0.000 4.412) 7.167 12.365 ( -13.026 0.000 -10.005) 16.425 12.868 ( -3.912 0.000 -2.459) 4.621 14.694 ( 28.484 -0.000 17.236) 33.293 15.407 ( 7.794 -0.000 -3.843) 8.690 16.871 ( 19.752 -0.000 -6.179) 20.696 18.581 ( -19.461 0.000 8.768) 21.345 19.590 ( -6.786 0.000 13.583) 15.184 19.896 ( -7.429 0.000 -11.441) 13.641 21.045 ( -16.476 0.000 -8.059) 18.341 22.022 ( -0.774 0.000 1.583) 1.762 22.213 ( 3.435 -0.000 -14.310) 14.716 29.332 ( -13.597 0.000 0.065) 13.597 30.543 ( -9.215 0.000 3.633) 9.906 31.448 ( -4.674 0.000 2.216) 5.173 31.533 ( 9.572 -0.000 6.223) 11.417 32.144 ( 7.119 -0.000 6.605) 9.711 32.711 ( 11.703 -0.000 -7.053) 13.664 35.740 ( 3.890 -0.000 0.771) 3.966 36.086 ( -1.732 0.000 -7.759) 7.950 36.238 ( 5.728 -0.000 5.912) 8.232 36.577 ( 3.255 -0.000 -0.406) 3.280 52.250 ( -7.735 0.000 -15.467) 17.293 52.367 ( -15.511 0.000 21.113) 26.198 54.313 ( 9.861 -0.000 1.637) 9.995 54.494 ( -2.207 0.000 -2.865) 3.617 55.785 ( 7.862 -0.000 -11.391) 13.841 56.159 ( 19.823 -0.000 21.583) 29.305 57.738 ( -14.320 0.000 -3.720) 14.795 58.587 ( -7.318 0.000 -5.404) 9.097 60.252 ( 0.818 -0.000 -11.834) 11.862 60.752 ( -1.852 0.000 2.351) 2.993 ======================= Grid point 469 (224/355) ======================= q-point: ( 0.25 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 28.097 21.960 -22.656) 42.249 4.719 ( 8.104 -3.369 -23.176) 24.783 5.162 ( 9.801 7.090 3.079) 12.482 5.547 ( 26.043 -23.133 14.180) 37.609 6.625 ( -29.354 2.033 35.288) 45.946 8.220 ( 21.168 -2.301 -22.966) 31.318 9.056 ( 25.201 4.367 -13.585) 28.960 9.647 ( -0.724 -5.768 -2.320) 6.259 10.386 ( 8.196 2.897 -0.415) 8.703 10.961 ( 4.540 -0.186 0.682) 4.595 11.493 ( 1.052 -0.338 9.270) 9.336 12.083 ( -16.719 -4.862 -10.386) 20.274 12.794 ( -4.589 0.807 0.158) 4.662 14.866 ( -1.120 -1.299 -11.996) 12.118 15.852 ( 33.489 -2.611 18.631) 38.412 17.103 ( 18.855 2.178 -6.611) 20.098 18.413 ( -13.808 -2.987 10.311) 17.490 19.599 ( -8.005 -2.330 15.865) 17.922 19.751 ( -0.800 2.045 -8.882) 9.149 20.737 ( -16.229 -0.490 -10.863) 19.536 21.972 ( -2.338 4.247 -1.119) 4.976 22.133 ( -0.443 2.619 -9.429) 9.796 29.185 ( -7.271 -0.743 0.542) 7.329 30.414 ( -7.412 4.474 2.667) 9.059 31.411 ( -6.043 -3.614 3.318) 7.784 31.705 ( 7.023 -0.692 5.869) 9.179 32.281 ( 5.479 0.262 6.374) 8.409 32.839 ( 11.452 -2.058 -8.932) 14.668 35.809 ( 4.821 0.171 0.290) 4.833 36.006 ( -2.201 -0.719 -7.046) 7.417 36.342 ( 4.488 2.999 6.568) 8.502 36.612 ( 0.615 -1.834 -1.036) 2.195 51.990 ( -6.492 9.505 -8.296) 14.188 52.303 ( -14.977 -6.875 10.500) 19.541 54.398 ( 4.841 5.831 0.174) 7.581 54.567 ( 8.004 -7.004 -1.138) 10.697 55.817 ( 6.806 -0.488 -10.126) 12.210 56.508 ( 6.565 -0.845 14.288) 15.747 57.582 ( -2.858 0.602 2.796) 4.043 58.441 ( -8.033 -1.027 -5.823) 9.975 60.173 ( 2.820 4.924 -9.075) 10.703 60.754 ( -3.283 -4.370 1.800) 5.754 ======================= Grid point 470 (225/355) ======================= q-point: ( 0.33 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( 29.073 21.100 -17.734) 40.062 4.753 ( 12.837 0.597 -16.809) 21.158 5.146 ( 3.870 9.544 -7.602) 12.800 6.226 ( 19.870 -16.256 11.604) 28.173 6.395 ( -30.193 4.057 38.111) 48.790 8.380 ( 18.896 -1.984 -22.675) 29.583 9.203 ( 15.618 10.220 -7.484) 20.109 9.734 ( 3.247 -9.023 -5.322) 10.967 10.471 ( 8.575 5.207 1.824) 10.197 10.936 ( -7.397 -2.036 -7.098) 10.452 11.575 ( 3.320 3.283 5.134) 6.940 11.995 ( -1.723 -13.187 1.772) 13.416 12.718 ( -4.911 0.719 1.146) 5.094 14.715 ( -5.603 -1.307 -17.171) 18.109 16.440 ( 22.426 -2.238 15.802) 27.525 17.262 ( 15.659 7.454 -2.477) 17.519 18.404 ( -0.843 -1.253 7.990) 8.132 19.638 ( -7.232 -5.473 15.524) 17.979 19.684 ( 0.303 2.882 -3.458) 4.512 20.475 ( -11.135 -5.554 -12.819) 17.865 21.848 ( -3.583 6.282 -3.432) 8.005 22.017 ( -2.864 3.819 -5.491) 7.276 29.147 ( -1.012 -1.876 1.560) 2.642 30.273 ( -4.136 6.147 0.596) 7.432 31.395 ( -7.533 -5.651 4.177) 10.302 31.819 ( 2.796 0.295 4.436) 5.252 32.388 ( 3.800 0.377 6.267) 7.339 32.968 ( 11.872 -2.463 -10.680) 16.157 35.852 ( 1.744 1.310 -2.395) 3.239 35.968 ( 0.564 -2.539 -3.255) 4.166 36.387 ( 2.293 4.368 5.331) 7.263 36.622 ( -1.565 -1.975 -0.851) 2.660 51.742 ( -5.810 9.637 -3.396) 11.754 52.243 ( -11.730 -8.239 3.112) 14.669 54.393 ( 3.087 4.196 0.012) 5.209 54.776 ( 12.438 -1.729 0.513) 12.568 55.857 ( 5.522 -1.536 -8.438) 10.200 56.536 ( -6.813 1.930 2.334) 7.456 57.708 ( 9.331 -1.276 12.596) 15.728 58.301 ( -7.749 -1.834 -6.042) 9.996 60.104 ( 3.718 6.225 -5.022) 8.820 60.779 ( -3.684 -6.512 0.560) 7.503 ======================= Grid point 471 (226/355) ======================= q-point: ( 0.42 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( 28.864 24.690 -9.624) 39.183 4.812 ( 10.717 7.116 -11.228) 17.075 4.979 ( 1.050 6.291 -11.866) 13.471 6.209 ( -25.057 6.596 45.000) 51.927 6.649 ( 11.518 -3.972 8.483) 14.845 8.513 ( 17.617 -1.911 -22.076) 28.308 9.183 ( 6.211 12.821 -3.166) 14.594 9.799 ( -2.305 -4.603 -6.673) 8.428 10.515 ( 1.282 1.291 1.717) 2.502 10.767 ( -6.870 -0.216 -8.392) 10.848 11.606 ( 3.518 2.161 -0.215) 4.134 12.311 ( 13.204 -11.936 12.375) 21.678 12.656 ( -4.182 -0.742 0.791) 4.320 14.532 ( -4.648 -0.392 -14.518) 15.249 16.709 ( 1.393 0.229 7.653) 7.783 17.398 ( 16.434 8.794 4.076) 19.079 18.439 ( 3.556 9.879 3.245) 10.990 19.611 ( -4.892 0.479 1.175) 5.054 19.771 ( 2.909 -8.258 8.460) 12.175 20.415 ( -2.179 -12.961 -8.279) 15.533 21.674 ( -5.344 6.799 -5.343) 10.165 21.888 ( -4.209 3.787 -2.935) 6.377 29.221 ( 4.848 -3.186 2.675) 6.388 30.169 ( 0.100 5.456 -1.569) 5.678 31.376 ( -9.066 -6.278 4.404) 11.874 31.830 ( -2.638 1.812 1.907) 3.725 32.475 ( 2.525 0.104 6.576) 7.045 33.094 ( 12.909 -1.046 -11.837) 17.546 35.811 ( -2.199 -0.282 -3.662) 4.281 36.016 ( 3.152 -0.975 -0.258) 3.310 36.387 ( 0.173 3.040 2.504) 3.942 36.600 ( -2.958 -0.532 -0.007) 3.005 51.554 ( -4.583 7.121 0.471) 8.482 52.206 ( -8.100 -8.834 -1.153) 12.041 54.393 ( 3.565 4.306 0.766) 5.642 54.964 ( 13.395 3.710 2.349) 14.097 55.881 ( 1.985 -0.440 -5.947) 6.285 56.410 ( -5.675 0.579 -1.184) 5.826 57.961 ( 9.443 -1.191 12.004) 15.320 58.175 ( -6.938 -2.222 -6.115) 9.511 60.063 ( 3.627 5.942 -1.703) 7.166 60.804 ( -3.972 -6.802 -0.227) 7.880 ======================= Grid point 472 (227/355) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( 12.155 31.843 -0.567) 34.089 4.649 ( 0.213 13.370 -5.375) 14.411 5.052 ( 20.498 4.920 -5.239) 21.721 6.132 ( -17.729 6.650 44.315) 48.191 6.777 ( 2.772 9.885 8.879) 13.573 8.634 ( 15.871 -0.914 -20.060) 25.596 9.031 ( -1.407 14.953 -2.463) 15.219 9.704 ( -9.755 -5.211 -4.741) 12.034 10.539 ( -3.726 -8.787 -1.768) 9.707 10.629 ( 1.796 11.999 -3.012) 12.501 11.597 ( -0.303 3.574 -1.722) 3.979 12.631 ( -0.742 -3.366 -0.513) 3.485 12.739 ( 14.150 -5.087 14.307) 20.755 14.430 ( 1.162 -1.266 -6.913) 7.123 16.642 ( -8.974 4.391 1.753) 10.144 17.571 ( 14.685 6.923 5.785) 17.235 18.263 ( -6.591 17.617 2.050) 18.921 19.578 ( 1.521 0.002 -2.642) 3.049 20.048 ( 10.356 -12.981 5.754) 17.575 20.559 ( 2.460 -14.603 -2.518) 15.022 21.454 ( -7.584 6.886 -7.561) 12.732 21.770 ( -4.959 2.137 -0.952) 5.483 29.395 ( 9.798 -4.227 3.197) 11.139 30.131 ( 4.483 3.509 -3.118) 6.491 31.337 ( -10.688 -6.309 3.996) 13.038 31.734 ( -7.278 2.317 -0.285) 7.643 32.546 ( 0.682 0.236 6.992) 7.029 33.199 ( 13.929 1.864 -13.183) 19.269 35.760 ( -3.387 -1.714 -2.614) 4.609 36.058 ( 2.467 1.368 0.687) 2.903 36.352 ( -2.279 1.295 -1.280) 2.917 36.561 ( -2.774 0.062 1.354) 3.087 51.449 ( -3.123 3.854 4.231) 6.519 52.205 ( -4.776 -9.461 -3.352) 11.116 54.406 ( 4.587 4.813 1.701) 6.863 55.110 ( 13.196 8.590 4.913) 16.494 55.811 ( -4.750 4.005 -2.616) 6.742 56.404 ( 2.809 -5.540 -1.993) 6.523 58.045 ( -6.110 -1.754 -7.468) 9.807 58.167 ( 5.664 -0.589 8.430) 10.173 60.034 ( 2.773 6.247 0.129) 6.836 60.820 ( -4.284 -6.330 -0.426) 7.655 ======================= Grid point 473 (228/355) ======================= q-point: (-0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( -1.563 27.872 9.479) 29.481 4.457 ( 6.121 28.941 6.370) 30.260 5.292 ( 20.968 3.730 -2.327) 21.424 6.119 ( -12.495 11.413 44.050) 47.189 6.620 ( -5.581 22.436 7.379) 24.269 8.570 ( -7.806 17.540 1.968) 19.299 8.922 ( 14.469 -3.390 -21.619) 26.235 9.639 ( -7.395 -8.696 -1.326) 11.492 10.482 ( 4.175 15.067 -3.096) 15.938 10.574 ( -4.623 -6.713 -0.057) 8.151 11.476 ( -5.608 7.286 -0.520) 9.208 12.675 ( -0.039 -6.333 -2.887) 6.960 13.008 ( 9.158 4.458 11.269) 15.190 14.530 ( 9.864 -2.919 3.958) 11.022 16.403 ( -11.862 7.907 -3.940) 14.790 17.682 ( 11.657 16.981 -7.594) 21.953 17.990 ( -10.449 3.539 17.873) 21.004 19.603 ( 3.944 0.502 -2.089) 4.491 20.415 ( 13.561 -13.458 -1.075) 19.136 20.756 ( 2.995 -11.502 1.408) 11.969 21.187 ( -8.753 6.982 -9.633) 14.770 21.691 ( -4.755 -1.557 0.667) 5.047 29.640 ( 13.434 -4.425 2.641) 14.388 30.175 ( 8.125 0.882 -3.366) 8.839 31.267 ( -12.387 -6.060 3.056) 14.124 31.575 ( -10.304 1.320 -1.199) 10.457 32.575 ( -2.118 1.648 6.819) 7.328 33.268 ( 14.406 5.033 -15.255) 21.577 35.718 ( -3.694 -2.398 -1.396) 4.620 36.062 ( 0.782 2.779 0.508) 2.931 36.271 ( -3.745 1.929 -2.454) 4.875 36.544 ( -2.027 -1.277 1.234) 2.695 51.428 ( -1.876 0.661 7.998) 8.242 52.247 ( -2.066 -10.619 -4.372) 11.668 54.436 ( 5.856 5.505 2.702) 8.480 55.218 ( 12.183 11.675 7.641) 18.524 55.633 ( -8.382 6.489 -1.085) 10.656 56.574 ( 8.361 -9.698 -1.769) 12.926 57.902 ( -6.562 -0.200 -9.518) 11.563 58.289 ( 3.031 -0.895 5.923) 6.713 59.993 ( 2.208 7.514 1.450) 7.965 60.821 ( -4.859 -5.560 -0.798) 7.427 ======================= Grid point 474 (229/355) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( 2.850 27.934 21.724) 35.501 4.231 ( 3.873 32.415 15.299) 36.053 5.484 ( 11.108 5.962 1.705) 12.722 6.030 ( -15.234 27.810 36.426) 48.294 6.250 ( -4.022 23.093 7.322) 24.557 8.188 ( -14.851 21.771 12.323) 29.092 9.112 ( 21.331 -8.689 -26.001) 34.736 9.661 ( -5.973 -10.665 0.878) 12.255 10.360 ( 5.815 15.817 -0.124) 16.853 10.539 ( -5.724 -0.127 -2.081) 6.091 11.312 ( -6.068 4.417 4.760) 8.888 12.700 ( -2.116 -4.978 -7.613) 9.339 13.099 ( 5.458 7.780 9.383) 13.355 14.751 ( 8.161 1.041 7.174) 10.916 16.090 ( -7.470 11.323 -6.542) 15.060 17.370 ( -4.009 21.885 -10.040) 24.410 18.234 ( 7.640 -12.506 25.143) 29.102 19.640 ( 3.700 1.478 -0.573) 4.026 20.649 ( 7.003 -1.967 -8.801) 11.418 20.826 ( -16.596 -9.502 -6.618) 20.236 21.073 ( 13.692 -1.223 1.426) 13.820 21.684 ( -3.524 -5.905 1.258) 6.991 29.916 ( 15.776 -3.524 1.052) 16.199 30.297 ( 9.482 -2.118 -1.739) 9.870 31.163 ( -13.342 -5.638 1.641) 14.576 31.398 ( -11.883 -0.704 -1.243) 11.968 32.532 ( -5.019 4.363 6.140) 9.051 33.279 ( 13.100 7.913 -18.145) 23.737 35.690 ( -3.122 -2.349 -0.261) 3.916 36.007 ( -3.740 2.381 -1.964) 4.849 36.199 ( 0.228 3.673 1.009) 3.816 36.535 ( -2.490 -1.869 -0.401) 3.139 51.485 ( -1.092 -2.306 11.638) 11.914 52.337 ( -0.221 -12.509 -4.985) 13.468 54.485 ( 7.502 6.343 3.744) 10.514 55.280 ( 4.564 12.818 11.141) 17.585 55.427 ( -4.227 6.624 -2.844) 8.356 56.774 ( 3.821 -7.586 -7.161) 11.110 57.777 ( 0.319 -0.939 -5.863) 5.946 58.367 ( 0.363 -2.232 4.363) 4.915 59.951 ( 3.097 8.575 4.058) 9.980 60.795 ( -5.695 -4.669 -2.233) 7.695 ======================= Grid point 475 (230/355) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 11.256 31.293 28.627) 43.880 4.049 ( 2.085 28.327 24.856) 37.744 5.309 ( -19.484 36.505 24.204) 47.938 5.646 ( -0.077 8.002 -11.164) 13.735 6.150 ( 2.254 20.659 24.271) 31.952 7.850 ( -9.447 22.755 20.479) 32.038 9.346 ( 21.027 -7.323 -25.672) 33.983 9.699 ( -7.194 -9.667 -0.612) 12.065 10.227 ( -6.134 11.122 3.971) 13.308 10.421 ( 4.712 10.295 -3.411) 11.825 11.327 ( 0.719 -4.514 10.871) 11.792 12.614 ( -5.241 -1.512 -11.725) 12.932 13.144 ( 4.548 7.627 9.319) 12.873 14.671 ( -10.687 11.013 -8.530) 17.557 15.943 ( 8.442 11.096 4.108) 14.535 16.996 ( -4.353 19.109 -8.913) 21.530 18.781 ( 11.592 -23.250 25.773) 36.594 19.654 ( 1.767 3.787 1.236) 4.358 20.514 ( -4.575 5.548 -8.928) 11.464 20.736 ( -7.554 -12.046 -9.393) 17.041 21.377 ( 14.704 -6.429 3.120) 16.349 21.729 ( -2.520 -7.507 0.017) 7.919 30.193 ( 16.720 -2.490 -0.317) 16.908 30.446 ( 4.047 -4.340 0.890) 6.000 31.054 ( -9.916 -5.153 0.219) 11.177 31.236 ( -11.489 -2.939 -1.408) 11.943 32.413 ( -7.064 7.470 5.737) 11.774 33.195 ( 9.171 11.379 -20.688) 25.329 35.683 ( -1.465 -2.006 0.766) 2.599 35.887 ( -6.054 2.144 -1.926) 6.705 36.204 ( 4.484 4.228 3.017) 6.862 36.504 ( -3.197 -1.263 -2.057) 4.006 51.609 ( -0.901 -5.269 14.981) 15.906 52.466 ( 0.500 -14.804 -5.843) 15.924 54.561 ( 10.020 7.140 4.872) 13.233 55.102 ( -13.614 8.930 5.617) 17.223 55.410 ( 9.139 9.144 2.577) 13.182 56.619 ( -11.581 7.141 -19.910) 24.115 57.970 ( 15.102 -10.382 4.552) 18.883 58.420 ( -1.242 -4.306 2.616) 5.189 59.954 ( 5.332 7.591 8.241) 12.408 60.736 ( -5.773 -3.888 -4.789) 8.449 ======================= Grid point 476 (231/355) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -8.658 33.821 31.107) 46.760 3.863 ( 11.022 37.820 25.500) 46.927 4.915 ( 1.159 16.211 20.709) 26.325 5.503 ( 1.043 7.428 -12.739) 14.783 6.091 ( -2.695 17.771 25.969) 31.583 7.671 ( 0.749 22.488 23.927) 32.845 9.505 ( 14.920 0.723 -24.557) 28.743 9.604 ( -9.945 -0.901 -5.418) 11.361 10.067 ( -8.066 -0.482 8.197) 11.510 10.409 ( 10.409 9.018 -1.559) 13.860 11.556 ( 6.844 -8.441 13.031) 16.967 12.444 ( -6.158 0.316 -13.212) 14.580 13.180 ( 4.956 8.560 9.577) 13.768 14.171 ( -17.875 15.667 -18.393) 30.054 16.040 ( 12.741 10.831 9.169) 19.071 16.657 ( -2.915 18.309 -9.519) 20.841 19.311 ( -3.709 -18.756 15.930) 24.886 19.628 ( 1.751 4.648 4.253) 6.539 20.456 ( -4.437 -14.507 -3.905) 15.665 20.743 ( 6.464 -7.291 -8.228) 12.753 21.639 ( 4.664 -7.562 1.851) 9.076 21.789 ( 3.589 -5.213 -3.030) 7.017 30.416 ( -4.785 -4.264 2.570) 6.905 30.493 ( 7.088 -3.183 -1.906) 8.001 31.014 ( -6.162 -2.872 2.046) 7.100 31.166 ( 0.621 -5.694 -2.647) 6.310 32.238 ( -7.875 9.962 6.234) 14.146 32.995 ( 5.107 15.105 -19.641) 25.298 35.711 ( 1.095 -1.812 1.525) 2.609 35.774 ( -4.654 1.759 -0.193) 4.979 36.259 ( 6.393 3.860 2.961) 8.033 36.447 ( -3.021 -0.315 -3.374) 4.540 51.788 ( -1.608 -8.354 17.761) 19.693 52.612 ( -0.269 -16.290 -7.322) 17.862 54.679 ( 12.724 8.631 6.333) 16.629 54.820 ( -15.556 5.925 3.706) 17.054 55.418 ( 2.342 9.901 3.225) 10.673 56.135 ( -8.810 17.506 -21.512) 29.100 58.293 ( 0.074 -7.614 5.722) 9.525 58.543 ( 9.570 -10.363 -1.397) 14.175 60.056 ( 7.015 1.740 11.397) 13.495 60.665 ( -2.931 -2.907 -7.542) 8.598 ======================= Grid point 477 (232/355) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -16.648 31.577 23.177) 42.561 3.960 ( 23.644 30.193 29.701) 48.506 5.108 ( 15.773 1.231 3.420) 16.186 5.325 ( 2.047 8.736 -14.797) 17.305 6.056 ( -6.374 11.734 41.153) 43.265 7.653 ( 9.901 18.812 17.647) 27.628 9.248 ( -12.616 5.314 -14.407) 19.874 9.600 ( 12.736 6.189 -13.622) 19.648 10.098 ( -3.941 -7.731 6.684) 10.953 10.465 ( 9.449 5.329 -0.226) 10.851 11.817 ( 0.435 -7.070 7.936) 10.638 12.311 ( 2.532 -1.227 -8.879) 9.315 13.243 ( 8.941 8.539 11.472) 16.866 13.625 ( -13.698 13.865 -16.759) 25.705 16.094 ( 2.666 13.256 3.581) 13.988 16.389 ( 5.787 13.366 -7.183) 16.240 19.286 ( -14.555 1.720 6.651) 16.095 19.669 ( -0.896 0.105 4.491) 4.580 20.456 ( -17.942 -16.228 -3.748) 24.481 21.145 ( 22.202 -21.481 -3.714) 31.115 21.679 ( -7.056 -6.110 -1.436) 9.443 21.950 ( 11.879 -4.047 -5.503) 13.703 30.214 ( -22.896 -3.383 0.351) 23.147 30.676 ( 3.766 -5.419 -0.955) 6.668 30.986 ( 1.326 -0.373 3.536) 3.795 31.325 ( 10.589 -4.653 -0.876) 11.599 32.051 ( -6.777 10.462 7.617) 14.609 32.756 ( 5.018 15.426 -14.405) 21.694 35.699 ( -2.119 1.739 0.970) 2.908 35.794 ( 3.802 -2.925 1.867) 5.147 36.317 ( 2.385 1.537 0.088) 2.838 36.396 ( 2.260 2.030 -2.462) 3.910 51.997 ( -3.758 -11.030 19.493) 22.710 52.722 ( -3.065 -14.664 -9.252) 17.607 54.494 ( -15.579 7.290 2.201) 17.341 54.898 ( 17.959 6.659 8.674) 21.026 55.206 ( -10.731 15.232 -0.045) 18.632 55.820 ( 8.739 13.062 -13.667) 20.827 58.294 ( -10.561 -5.383 2.684) 12.154 58.772 ( 6.196 -5.961 -3.694) 9.358 60.236 ( 1.373 -7.708 6.333) 10.070 60.644 ( 5.342 -0.277 -6.911) 8.739 ======================= Grid point 481 (233/355) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.617 ( 20.840 -0.000 -26.635) 33.819 4.741 ( 18.456 -0.000 -18.728) 26.294 5.414 ( 6.317 -0.000 -6.675) 9.190 5.860 ( 30.148 -0.000 11.448) 32.248 6.468 ( -30.783 0.000 46.751) 55.975 8.361 ( 21.318 -0.000 -23.322) 31.597 9.391 ( 25.994 -0.000 -11.731) 28.519 9.557 ( -3.614 0.000 -0.743) 3.690 10.544 ( 12.398 -0.000 -2.806) 12.712 10.896 ( -13.443 0.000 -6.022) 14.730 11.663 ( 9.698 -0.000 16.090) 18.787 11.786 ( -6.761 0.000 -7.799) 10.321 12.730 ( -5.803 0.000 1.718) 6.052 14.692 ( -5.122 0.000 -17.135) 17.884 16.416 ( 23.675 -0.000 16.618) 28.925 17.359 ( 20.233 -0.000 -8.380) 21.900 18.381 ( 1.358 -0.000 15.229) 15.290 19.559 ( -12.065 0.000 18.896) 22.419 19.732 ( 4.434 -0.000 -8.004) 9.151 20.406 ( -15.622 0.000 -14.040) 21.004 21.923 ( -5.546 0.000 -2.890) 6.254 22.069 ( -2.648 0.000 -6.408) 6.934 29.125 ( -0.942 0.000 0.922) 1.318 30.358 ( -5.966 0.000 1.989) 6.289 31.318 ( -6.956 0.000 3.963) 8.006 31.820 ( 3.207 -0.000 5.611) 6.463 32.392 ( 3.641 -0.000 5.994) 7.013 32.936 ( 13.021 -0.000 -11.078) 17.096 35.890 ( 5.622 -0.000 -0.235) 5.627 35.912 ( -2.979 0.000 -6.939) 7.551 36.464 ( 2.479 -0.000 7.255) 7.667 36.579 ( -1.883 0.000 -1.608) 2.476 51.931 ( 0.150 -0.000 -15.063) 15.064 52.071 ( -20.064 0.000 14.236) 24.601 54.454 ( 1.895 -0.000 -1.268) 2.280 54.748 ( 16.789 -0.000 2.893) 17.037 55.838 ( 5.965 -0.000 -9.479) 11.200 56.559 ( -6.642 0.000 3.547) 7.530 57.693 ( 8.967 -0.000 12.536) 15.413 58.278 ( -7.957 0.000 -5.361) 9.594 60.199 ( 4.831 -0.000 -8.548) 9.819 60.679 ( -5.064 0.000 2.621) 5.702 ======================= Grid point 482 (234/355) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.713 ( 19.129 2.969 -20.147) 27.940 4.946 ( 24.359 3.445 -11.095) 26.988 5.270 ( -0.986 13.004 -10.940) 17.023 6.336 ( -6.773 3.481 30.313) 31.255 6.477 ( 7.710 -7.895 28.345) 30.418 8.503 ( 19.933 0.436 -22.449) 30.025 9.450 ( 3.267 8.169 -0.762) 8.831 9.690 ( 11.380 -4.112 -7.799) 14.396 10.509 ( -22.442 -0.500 -8.671) 24.065 10.733 ( 10.434 -2.015 -5.397) 11.918 11.708 ( 4.866 5.168 -1.850) 7.336 12.052 ( 16.861 -8.263 17.843) 25.903 12.651 ( -6.514 0.022 1.948) 6.799 14.507 ( -4.978 -0.940 -15.055) 15.885 16.713 ( 4.303 0.119 10.677) 11.512 17.561 ( 17.932 3.921 -6.311) 19.411 18.624 ( 17.102 4.814 12.614) 21.789 19.505 ( -15.831 -5.341 15.718) 22.939 19.753 ( 6.300 3.249 -4.450) 8.369 20.155 ( -8.406 -7.427 -12.657) 16.912 21.781 ( -7.900 2.148 -5.205) 9.701 21.971 ( -4.298 2.282 -3.054) 5.745 29.171 ( 5.050 -1.031 1.757) 5.445 30.280 ( -2.798 2.967 0.216) 4.083 31.257 ( -8.261 -3.009 4.646) 9.944 31.857 ( -2.498 0.520 3.349) 4.210 32.474 ( 1.985 -0.079 5.950) 6.273 33.067 ( 15.312 -0.791 -12.382) 19.708 35.815 ( -3.382 0.389 -5.593) 6.548 35.976 ( 5.019 -1.447 -1.201) 5.359 36.482 ( -1.232 4.218 2.799) 5.210 36.566 ( -2.090 -2.480 2.113) 3.871 51.750 ( -6.222 9.151 -1.618) 11.184 51.981 ( -9.283 -9.791 -0.348) 13.497 54.480 ( 3.624 2.294 1.093) 4.426 55.022 ( 17.719 1.090 3.504) 18.095 55.862 ( 5.009 -0.644 -8.249) 9.672 56.430 ( -9.577 0.654 -0.459) 9.610 57.943 ( 10.223 -0.339 13.601) 17.018 58.137 ( -7.097 -0.892 -4.967) 8.709 60.196 ( 5.136 4.226 -5.420) 8.580 60.648 ( -5.375 -4.911 1.824) 7.506 ======================= Grid point 483 (235/355) ======================= q-point: ( 0.42 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.776 ( 0.408 1.192 -11.780) 11.847 5.006 ( 16.847 19.274 -6.670) 26.454 5.245 ( 21.861 8.664 -0.934) 23.533 6.306 ( -15.907 8.064 43.504) 47.018 6.883 ( 15.151 -1.096 10.031) 18.204 8.623 ( 19.123 0.756 -22.849) 29.805 9.393 ( 2.147 11.286 2.954) 11.863 9.645 ( -11.070 3.065 -7.577) 13.760 10.268 ( -9.889 -12.469 -6.054) 17.027 10.855 ( 11.082 4.846 -4.389) 12.867 11.700 ( 3.903 5.552 -2.368) 7.188 12.567 ( 4.668 -5.890 15.107) 16.873 12.585 ( 10.955 -3.076 6.183) 12.950 14.384 ( -1.548 -1.971 -9.144) 9.482 16.728 ( -6.579 2.620 6.428) 9.564 17.709 ( 13.095 4.397 -1.753) 13.924 18.705 ( 1.678 18.755 1.267) 18.872 19.526 ( 0.715 -8.581 1.872) 8.812 19.804 ( 5.386 -2.815 1.620) 6.289 20.206 ( 2.329 -14.026 -1.334) 14.280 21.576 ( -9.804 3.079 -7.230) 12.565 21.850 ( -5.530 3.671 -0.576) 6.663 29.318 ( 10.167 -2.169 2.634) 10.724 30.224 ( 1.521 3.581 -1.642) 4.223 31.203 ( -10.074 -4.506 4.805) 12.036 31.779 ( -7.906 1.348 0.089) 8.021 32.539 ( 0.576 -0.522 6.339) 6.387 33.220 ( 16.695 0.139 -13.203) 21.285 35.729 ( -4.040 -0.739 -3.895) 5.660 36.049 ( 3.845 -1.362 -1.959) 4.525 36.413 ( -2.967 3.099 0.245) 4.297 36.568 ( -2.628 0.110 3.616) 4.471 51.567 ( -7.294 5.991 4.596) 10.498 51.985 ( -2.873 -8.835 -5.560) 10.827 54.520 ( 5.125 4.107 3.048) 7.240 55.272 ( 16.907 4.670 4.740) 18.170 55.867 ( 1.541 0.897 -5.965) 6.226 56.312 ( -5.202 -2.090 -0.937) 5.684 58.013 ( -6.033 -0.916 -5.227) 8.035 58.157 ( 6.425 -0.292 9.298) 11.305 60.179 ( 4.282 5.781 -1.894) 7.440 60.655 ( -4.989 -6.952 0.821) 8.596 ======================= Grid point 484 (236/355) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( -7.888 12.690 4.285) 15.544 5.098 ( 23.950 19.771 -4.708) 31.412 5.398 ( 10.411 8.982 7.688) 15.753 6.343 ( -4.851 6.943 37.646) 38.587 7.051 ( 7.940 12.419 8.304) 16.918 8.732 ( 19.171 0.285 -25.039) 31.536 9.145 ( -14.001 17.333 4.559) 22.743 9.477 ( -5.483 -4.113 -1.745) 7.073 10.322 ( -1.478 -11.200 -2.467) 11.563 10.858 ( 7.718 12.206 -4.351) 15.083 11.643 ( -0.124 6.827 -1.811) 7.064 12.538 ( -4.258 -4.813 -0.768) 6.472 13.058 ( 16.627 -0.297 18.698) 25.023 14.426 ( 7.281 -4.931 0.441) 8.805 16.576 ( -10.062 6.246 1.479) 11.935 17.832 ( 6.794 0.331 5.018) 8.453 18.345 ( -10.093 20.943 -8.342) 24.699 19.632 ( 6.383 0.921 -2.328) 6.856 20.048 ( 10.304 -15.492 -2.201) 18.736 20.458 ( 6.122 -12.198 5.958) 14.892 21.333 ( -9.517 3.876 -8.338) 13.233 21.719 ( -6.482 3.430 0.950) 7.394 29.548 ( 13.907 -3.087 3.049) 14.568 30.224 ( 5.858 2.651 -2.881) 7.046 31.131 ( -12.055 -5.060 4.342) 13.776 31.610 ( -11.401 1.395 -2.299) 11.714 32.587 ( -1.240 -0.317 6.765) 6.885 33.353 ( 16.306 2.268 -14.686) 22.062 35.664 ( -4.130 -1.851 -1.869) 4.897 36.084 ( 1.307 -0.692 -3.180) 3.507 36.337 ( -2.287 3.141 0.351) 3.901 36.542 ( -2.968 0.801 3.044) 4.327 51.464 ( -6.276 2.337 8.511) 10.830 52.028 ( 1.000 -7.950 -7.202) 10.773 54.574 ( 6.591 5.558 4.548) 9.748 55.461 ( 14.158 8.312 5.970) 17.470 55.775 ( -4.931 5.280 -2.362) 7.600 56.356 ( 3.726 -8.220 -1.452) 9.141 57.894 ( -5.669 -0.350 -6.658) 8.751 58.273 ( 2.234 -0.486 4.923) 5.428 60.158 ( 3.525 6.377 0.339) 7.295 60.671 ( -4.857 -6.745 0.416) 8.322 ======================= Grid point 485 (237/355) ======================= q-point: (-0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( -0.921 17.174 16.480) 23.820 5.026 ( 7.532 31.444 8.261) 33.372 5.533 ( 9.386 0.708 6.097) 11.215 6.461 ( -1.182 10.164 31.004) 32.649 6.920 ( 0.135 26.743 3.733) 27.003 8.671 ( -5.219 16.446 -4.162) 17.749 8.960 ( 11.282 -2.396 -10.207) 15.401 9.467 ( -2.781 -4.092 0.124) 4.949 10.421 ( -0.545 -8.001 1.120) 8.097 10.758 ( 6.920 16.026 -4.247) 17.966 11.505 ( -4.064 9.660 0.651) 10.500 12.542 ( -3.767 -7.335 -4.305) 9.302 13.296 ( 7.881 8.166 14.789) 18.641 14.705 ( 14.060 -5.007 9.527) 17.707 16.332 ( -8.189 8.951 -3.655) 12.671 17.830 ( -21.612 7.813 -1.367) 23.021 18.042 ( 14.905 5.131 1.658) 15.851 19.685 ( 5.034 1.708 -0.878) 5.388 20.328 ( 4.179 -16.932 -10.794) 20.511 20.682 ( 0.230 -7.056 4.893) 8.590 21.152 ( 2.005 4.361 -4.932) 6.882 21.607 ( -6.401 0.172 1.680) 6.620 29.828 ( 15.951 -3.440 2.766) 16.551 30.291 ( 8.792 0.987 -2.942) 9.323 31.031 ( -13.425 -5.195 3.319) 14.773 31.398 ( -12.872 0.479 -3.260) 13.287 32.596 ( -3.497 1.209 6.898) 7.827 33.427 ( 14.065 4.613 -16.923) 22.484 35.628 ( -3.356 -2.467 0.096) 4.166 36.048 ( -2.585 0.678 -4.634) 5.350 36.291 ( 0.946 3.753 2.012) 4.362 36.510 ( -2.914 -0.031 1.666) 3.357 51.443 ( -5.368 -1.102 11.687) 12.908 52.103 ( 3.715 -7.571 -7.863) 11.530 54.644 ( 8.001 6.588 5.743) 11.849 55.572 ( 6.276 11.325 9.820) 16.251 55.585 ( -4.284 6.571 -3.704) 8.675 56.551 ( 6.970 -10.281 -2.145) 12.605 57.773 ( -3.091 0.253 -7.043) 7.695 58.314 ( -1.670 -2.110 2.119) 3.425 60.138 ( 3.684 7.026 2.235) 8.242 60.672 ( -5.230 -5.492 -0.526) 7.602 ======================= Grid point 486 (238/355) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.361 ( 7.721 18.703 24.848) 32.044 4.777 ( -1.300 30.395 18.456) 35.583 5.686 ( 10.667 4.569 2.069) 11.787 6.314 ( -21.240 31.560 23.319) 44.620 6.595 ( 2.064 19.196 0.496) 19.313 8.389 ( -2.627 21.022 9.612) 23.264 9.163 ( 18.222 -6.603 -14.891) 24.441 9.486 ( -3.519 -6.250 0.035) 7.172 10.451 ( -6.291 2.693 3.272) 7.585 10.672 ( 12.006 12.826 -4.783) 18.208 11.362 ( -2.074 7.402 7.143) 10.494 12.510 ( -5.929 -6.517 -9.775) 13.160 13.369 ( 5.473 10.971 14.767) 19.193 14.896 ( 1.169 6.652 1.709) 6.966 16.171 ( 5.176 7.567 0.662) 9.192 17.389 ( -14.312 12.036 -8.591) 20.579 18.336 ( 9.417 -11.477 15.370) 21.369 19.725 ( 3.536 1.132 -1.590) 4.039 20.338 ( -16.549 -12.601 -9.420) 22.834 20.712 ( 4.492 1.111 -7.180) 8.541 21.262 ( 11.565 -1.640 2.997) 12.059 21.571 ( -3.064 -4.961 0.661) 5.869 30.120 ( 15.799 -3.190 1.912) 16.231 30.394 ( 5.990 -0.635 -1.318) 6.166 30.928 ( -10.076 -5.389 1.506) 11.526 31.191 ( -12.252 -0.892 -3.106) 12.671 32.547 ( -5.670 3.809 6.926) 9.728 33.411 ( 10.140 7.006 -19.087) 22.720 35.627 ( -1.680 -2.416 1.619) 3.358 35.945 ( -4.229 2.146 -4.213) 6.344 36.300 ( 3.707 3.671 2.751) 5.898 36.478 ( -2.926 -0.633 -0.053) 2.994 51.490 ( -5.072 -4.406 13.953) 15.486 52.206 ( 5.347 -7.735 -8.113) 12.419 54.733 ( 9.411 7.004 6.728) 13.523 55.330 ( -11.493 9.919 1.405) 15.247 55.639 ( 8.263 9.634 5.765) 13.940 56.658 ( -1.819 -3.198 -9.702) 10.376 57.786 ( 7.793 -4.933 -0.740) 9.252 58.312 ( -4.921 -4.593 0.359) 6.741 60.135 ( 3.929 7.110 5.037) 9.558 60.641 ( -4.867 -3.948 -2.881) 6.897 ======================= Grid point 487 (239/355) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.449 ( 7.420 22.321 27.617) 36.277 4.573 ( -0.763 25.426 26.063) 36.419 5.603 ( -19.186 31.438 -0.714) 36.837 5.763 ( 11.658 18.884 2.821) 22.371 6.436 ( -9.192 11.166 14.785) 20.683 8.229 ( 5.777 22.861 11.391) 26.187 9.408 ( 17.001 -6.602 -12.708) 22.229 9.495 ( -5.621 -6.237 -2.560) 8.778 10.220 ( -13.094 11.279 3.830) 17.701 10.700 ( 14.586 12.249 -5.890) 19.938 11.430 ( 5.559 -1.178 14.746) 15.803 12.392 ( -6.937 -4.282 -14.154) 16.334 13.422 ( 5.635 11.679 16.484) 20.973 14.580 ( -13.394 17.848 -14.104) 26.398 16.290 ( 14.452 8.814 9.608) 19.464 17.021 ( -8.612 10.900 -10.581) 17.463 18.770 ( 3.692 -21.009 21.213) 30.083 19.732 ( 0.714 -0.188 -3.719) 3.792 20.141 ( -18.801 -9.770 -3.302) 21.444 20.719 ( 9.576 2.913 -11.479) 15.230 21.446 ( 0.632 -7.377 3.712) 8.282 21.653 ( 6.613 -5.656 -2.647) 9.096 30.344 ( -1.151 -1.868 2.226) 3.125 30.417 ( 2.835 -2.936 -0.833) 4.165 30.952 ( 4.454 -4.230 0.313) 6.150 31.040 ( -6.977 -3.097 -2.371) 7.993 32.438 ( -7.188 6.645 7.259) 12.187 33.291 ( 5.888 9.848 -19.572) 22.687 35.660 ( 0.588 -2.125 2.447) 3.294 35.833 ( -3.550 2.613 -2.653) 5.145 36.341 ( 4.206 2.901 2.278) 5.594 36.440 ( -1.666 -0.091 -1.425) 2.194 51.588 ( -5.478 -7.807 15.044) 17.812 52.327 ( 5.742 -8.230 -8.033) 12.854 54.847 ( 9.360 5.853 7.520) 13.357 55.037 ( -11.883 11.299 1.724) 16.488 55.663 ( 4.970 10.227 6.140) 12.922 56.440 ( -7.790 8.089 -16.937) 20.322 58.071 ( 9.749 -10.226 4.836) 14.934 58.307 ( -2.795 -8.839 -1.729) 9.430 60.146 ( 0.826 4.991 7.927) 9.404 60.602 ( -0.367 -2.258 -5.718) 6.159 ======================= Grid point 488 (240/355) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.134 ( -21.792 41.201 19.677) 50.592 4.533 ( 3.910 17.960 30.518) 35.626 5.252 ( 9.625 10.720 -1.095) 14.448 5.708 ( 16.955 22.384 -12.187) 30.612 6.296 ( -14.052 7.992 32.135) 35.972 8.149 ( 10.586 21.497 6.413) 24.805 9.364 ( -11.426 2.539 -9.349) 14.980 9.627 ( 14.397 -3.840 -9.503) 17.673 9.986 ( -10.246 1.427 7.657) 12.870 10.709 ( 13.930 13.440 -6.624) 20.459 11.667 ( 3.726 -5.009 12.858) 14.293 12.263 ( -0.408 -2.713 -12.635) 12.930 13.486 ( 5.950 11.628 17.379) 21.741 14.031 ( -12.430 19.729 -16.300) 28.451 16.420 ( 10.569 13.017 9.293) 19.170 16.706 ( -4.979 11.513 -13.135) 18.162 19.124 ( -8.374 -15.893 18.928) 26.095 19.702 ( -1.956 -0.661 -3.085) 3.712 20.033 ( -14.185 -13.620 0.747) 19.679 20.828 ( 16.489 -4.695 -10.244) 19.972 21.503 ( -6.464 -8.175 0.310) 10.426 21.826 ( 9.267 -5.669 -4.011) 11.580 30.161 ( -19.236 -0.964 1.109) 19.292 30.531 ( -1.462 -5.897 -1.232) 6.200 31.002 ( 6.610 1.052 0.756) 6.736 31.186 ( 11.821 -6.796 0.001) 13.636 32.288 ( -7.682 8.825 8.116) 14.239 33.095 ( 3.820 12.298 -17.175) 21.467 35.728 ( 2.299 -1.971 2.569) 3.971 35.751 ( -1.332 1.926 -0.898) 2.508 36.341 ( -2.153 0.673 -1.215) 2.563 36.451 ( 5.872 2.242 -0.079) 6.286 51.718 ( -6.603 -11.272 14.749) 19.703 52.451 ( 4.647 -8.295 -7.426) 12.064 54.696 ( -15.196 9.197 1.910) 17.865 55.025 ( 13.155 5.516 7.391) 16.065 55.588 ( -1.586 14.987 5.088) 15.906 56.128 ( 0.576 11.625 -15.058) 19.032 58.141 ( -11.112 -7.172 0.437) 13.233 58.546 ( 10.822 -12.399 -1.101) 16.494 60.133 ( -5.894 -0.745 6.383) 8.720 60.634 ( 8.013 -0.369 -4.996) 9.450 ======================= Grid point 489 (241/355) ======================= q-point: (-0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( -17.925 30.131 14.165) 37.813 4.669 ( 8.238 10.308 29.393) 32.219 5.281 ( 7.814 7.398 -9.819) 14.567 5.555 ( 15.581 23.920 -20.613) 35.211 6.355 ( -5.014 4.308 46.947) 47.410 8.107 ( 13.141 17.691 -1.414) 22.083 9.035 ( -11.059 6.012 -14.709) 19.360 9.764 ( 10.065 2.916 -5.644) 11.903 9.990 ( -3.515 -8.272 6.005) 10.809 10.708 ( 11.965 10.651 -5.460) 16.924 11.715 ( -8.906 -3.379 -0.140) 9.527 12.348 ( 11.449 -3.243 -1.821) 12.038 13.406 ( -11.880 10.278 -5.523) 16.652 13.771 ( 16.319 15.217 14.070) 26.378 16.255 ( -6.144 19.374 -8.461) 22.016 16.586 ( 9.310 5.532 -0.700) 10.852 19.143 ( -14.567 0.033 12.081) 18.925 19.670 ( -3.610 -3.201 -0.179) 4.828 19.997 ( -13.941 -12.031 0.667) 18.427 21.146 ( 13.141 -14.900 -6.606) 20.936 21.489 ( -4.636 -7.874 -2.878) 9.580 21.982 ( 6.703 -6.209 -5.517) 10.673 29.875 ( -20.772 -0.080 0.695) 20.784 30.508 ( -9.232 -7.417 -1.171) 11.901 31.163 ( 13.324 1.141 2.726) 13.647 31.438 ( 11.848 -4.487 0.274) 12.672 32.133 ( -6.366 9.102 9.402) 14.553 32.902 ( 5.034 12.339 -12.919) 18.561 35.708 ( -0.206 1.489 0.274) 1.528 35.839 ( 4.925 -3.046 2.702) 6.390 36.277 ( -2.938 0.580 -3.176) 4.365 36.521 ( 6.962 2.555 -0.139) 7.418 51.858 ( -8.403 -14.098 12.607) 20.696 52.545 ( 1.810 -6.504 -5.593) 8.767 54.401 ( -11.403 7.979 1.568) 14.006 55.151 ( -2.051 4.688 1.703) 5.393 55.414 ( 11.481 17.191 5.493) 21.390 56.010 ( 8.794 9.556 -5.703) 14.184 58.030 ( -14.825 -7.468 -1.873) 16.705 58.747 ( 3.546 -5.462 -3.965) 7.624 60.101 ( -7.132 -6.531 0.771) 9.701 60.750 ( 9.817 0.571 -2.074) 10.050 ======================= Grid point 494 (242/355) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( 4.691 -0.000 -12.797) 13.630 5.271 ( 3.675 -0.000 -6.603) 7.557 5.332 ( 29.566 -0.000 -3.832) 29.813 6.453 ( -20.789 0.000 48.551) 52.815 6.816 ( 27.178 -0.000 4.722) 27.585 8.641 ( 19.037 -0.000 -21.663) 28.839 9.478 ( -2.627 0.000 2.321) 3.506 9.853 ( 13.796 -0.000 -6.208) 15.128 10.004 ( -29.356 0.000 -7.139) 30.212 10.897 ( 14.217 -0.000 -5.783) 15.348 11.795 ( 6.081 -0.000 -5.894) 8.469 12.455 ( 18.386 -0.000 26.220) 32.024 12.566 ( -2.650 0.000 0.139) 2.654 14.358 ( -2.373 0.000 -9.368) 9.664 16.760 ( -5.647 0.000 8.416) 10.135 17.764 ( 12.282 -0.000 -6.076) 13.703 19.075 ( 25.027 -0.000 4.666) 25.458 19.246 ( -20.316 0.000 0.870) 20.335 19.903 ( 10.912 -0.000 3.385) 11.425 19.934 ( -4.551 0.000 -3.915) 6.003 21.610 ( -10.895 0.000 -7.157) 13.035 21.900 ( -5.594 0.000 -0.451) 5.612 29.292 ( 10.331 -0.000 2.263) 10.576 30.272 ( -0.035 0.000 -0.847) 0.848 31.145 ( -9.504 0.000 4.975) 10.728 31.796 ( -8.114 0.000 0.467) 8.128 32.531 ( 0.453 -0.000 6.093) 6.110 33.219 ( 17.861 -0.000 -13.268) 22.250 35.721 ( -4.339 0.000 -4.574) 6.304 36.028 ( 4.350 -0.000 -2.437) 4.986 36.459 ( -3.943 0.000 -1.180) 4.115 36.565 ( -1.802 0.000 6.007) 6.271 51.688 ( -17.132 0.000 11.798) 20.801 51.830 ( 6.301 -0.000 -13.323) 14.738 54.574 ( 4.926 -0.000 3.923) 6.298 55.327 ( 18.590 -0.000 4.289) 19.078 55.874 ( 4.618 -0.000 -7.752) 9.023 56.291 ( -9.039 0.000 0.028) 9.039 58.002 ( -6.146 0.000 -4.544) 7.643 58.153 ( 6.876 -0.000 9.717) 11.904 60.271 ( 5.807 -0.000 -4.270) 7.208 60.547 ( -6.197 0.000 2.865) 6.827 ======================= Grid point 495 (243/355) ======================= q-point: (-0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.712 ( -3.257 1.976 -0.953) 3.927 5.352 ( 14.734 4.935 0.030) 15.538 5.678 ( 21.794 8.144 -0.193) 23.266 6.453 ( -16.474 2.501 41.418) 44.644 7.210 ( 21.872 2.117 3.473) 22.248 8.753 ( 18.492 1.041 -23.081) 29.594 9.377 ( -17.614 0.439 -3.316) 17.929 9.584 ( -4.920 12.014 7.657) 15.072 10.055 ( 4.332 -10.046 -2.867) 11.309 11.031 ( 11.396 2.795 -6.445) 13.387 11.799 ( 4.131 4.894 -5.903) 8.709 12.451 ( -8.821 -2.271 1.743) 9.274 13.021 ( 24.366 -1.696 24.457) 34.565 14.334 ( 3.759 -2.194 -1.490) 4.600 16.684 ( -9.398 2.455 5.879) 11.354 17.827 ( -0.302 -0.251 -1.864) 1.905 18.826 ( -8.343 17.044 -12.435) 22.687 19.477 ( 13.389 -13.158 -9.713) 21.136 19.880 ( 1.342 1.769 4.919) 5.397 20.207 ( 12.933 -7.646 10.234) 18.178 21.381 ( -11.656 0.744 -7.988) 14.150 21.801 ( -6.590 2.269 1.231) 7.077 29.498 ( 14.296 -1.051 2.768) 14.600 30.278 ( 3.690 1.437 -1.999) 4.435 31.041 ( -11.411 -2.144 4.949) 12.621 31.634 ( -12.060 0.552 -2.564) 12.342 32.576 ( -0.804 -0.356 6.721) 6.778 33.385 ( 17.757 0.579 -14.454) 22.903 35.635 ( -4.295 -0.568 -2.447) 4.976 36.059 ( 2.033 -0.837 -4.127) 4.676 36.397 ( -2.385 1.481 0.190) 2.814 36.562 ( -3.233 0.562 4.649) 5.690 51.526 ( -12.613 2.183 11.294) 17.071 51.877 ( 6.913 -3.994 -10.931) 13.536 54.675 ( 6.065 2.426 6.236) 9.030 55.599 ( 15.718 3.032 4.234) 16.558 55.875 ( 2.812 2.623 -5.213) 6.478 56.203 ( -4.477 -3.904 0.802) 5.994 57.888 ( -5.255 -0.152 -5.000) 7.255 58.266 ( 1.814 -0.119 3.973) 4.369 60.297 ( 4.483 4.877 -1.093) 6.714 60.517 ( -4.859 -5.379 2.253) 7.591 ======================= Grid point 496 (244/355) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.667 ( 0.506 6.866 10.701) 12.724 5.557 ( 17.036 3.761 4.713) 18.071 5.686 ( 0.966 20.752 7.537) 22.100 6.545 ( -6.450 -2.475 28.703) 29.523 7.392 ( 10.930 12.221 -0.419) 16.401 8.836 ( 18.512 1.276 -30.720) 35.889 9.064 ( -14.925 6.202 11.842) 20.036 9.534 ( 1.604 9.030 8.872) 12.760 10.208 ( 2.369 -9.231 0.816) 9.564 11.060 ( 7.908 8.334 -6.714) 13.307 11.724 ( 0.881 8.154 -3.234) 8.816 12.378 ( -7.627 -5.902 -1.978) 9.845 13.470 ( 15.513 6.031 23.005) 28.395 14.543 ( 14.199 -7.251 8.505) 18.070 16.512 ( -10.090 5.844 1.026) 11.705 17.730 ( -17.723 -5.730 0.707) 18.640 18.471 ( 5.409 19.692 -14.922) 25.292 19.649 ( 4.435 -7.241 -11.758) 14.503 20.000 ( 5.263 -7.428 1.777) 9.275 20.516 ( 6.165 -5.867 7.623) 11.425 21.199 ( -2.850 0.216 -5.164) 5.902 21.673 ( -7.273 3.760 1.918) 8.409 29.764 ( 16.613 -1.861 2.958) 16.976 30.323 ( 6.907 1.354 -2.713) 7.543 30.927 ( -13.206 -3.330 4.562) 14.363 31.411 ( -13.588 0.492 -4.504) 14.324 32.606 ( -2.418 -0.079 7.480) 7.862 33.506 ( 15.058 2.094 -16.355) 22.330 35.582 ( -3.150 -1.318 0.014) 3.415 36.042 ( -1.028 -0.743 -5.569) 5.711 36.366 ( 0.521 2.297 1.599) 2.847 36.527 ( -3.740 1.036 3.265) 5.072 51.433 ( -9.691 0.109 12.505) 15.821 51.964 ( 8.170 -4.078 -10.041) 13.572 54.779 ( 6.889 4.291 7.731) 11.208 55.716 ( 2.480 4.209 -3.850) 6.221 55.825 ( 4.009 9.730 6.504) 12.371 56.306 ( 5.363 -9.993 0.393) 11.348 57.781 ( -3.789 0.289 -5.985) 7.089 58.272 ( -3.271 -1.304 -0.573) 3.568 60.287 ( 2.972 5.589 1.700) 6.555 60.540 ( -3.224 -5.398 1.106) 6.384 ======================= Grid point 497 (245/355) ======================= q-point: (-0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.721 ( 7.643 11.087 18.391) 22.794 5.418 ( -9.638 22.807 14.910) 28.903 5.799 ( 17.773 5.602 5.545) 19.443 6.622 ( -10.816 0.753 22.660) 25.120 7.186 ( -6.347 21.808 -9.322) 24.551 8.757 ( 6.466 8.036 -16.806) 19.718 9.097 ( 11.277 2.144 6.415) 13.150 9.498 ( 0.254 8.353 6.393) 10.521 10.368 ( 2.560 -7.411 5.445) 9.546 10.990 ( 5.975 11.686 -6.033) 14.445 11.597 ( -0.902 10.384 0.811) 10.454 12.329 ( -7.306 -8.186 -6.671) 12.841 13.663 ( 8.152 13.451 21.323) 26.497 14.938 ( 14.035 -3.541 11.593) 18.545 16.317 ( -3.125 5.197 -2.055) 6.403 17.459 ( -24.917 -5.014 -4.348) 25.786 18.355 ( 12.695 11.605 -3.283) 17.510 19.656 ( -3.370 -7.238 -13.570) 15.745 20.122 ( -2.452 -4.976 0.484) 5.568 20.623 ( -0.045 -6.615 -0.973) 6.687 21.272 ( 11.985 0.154 0.331) 11.991 21.538 ( -6.851 2.451 1.785) 7.492 30.055 ( 16.752 -2.102 2.658) 17.091 30.397 ( 5.945 0.590 -2.299) 6.401 30.808 ( -11.993 -4.368 3.552) 13.249 31.183 ( -12.027 -0.057 -5.074) 13.054 32.604 ( -4.451 1.237 8.090) 9.316 33.539 ( 10.638 3.867 -18.152) 21.392 35.577 ( -1.035 -1.667 2.000) 2.802 35.975 ( -2.755 0.380 -5.787) 6.421 36.376 ( 2.745 2.620 2.300) 4.437 36.480 ( -3.431 0.720 1.788) 3.935 51.408 ( -8.107 -2.382 13.531) 15.952 52.071 ( 9.119 -3.927 -9.671) 13.860 54.881 ( 7.085 5.178 8.585) 12.276 55.559 ( -6.408 8.771 -2.955) 11.257 55.857 ( 6.159 8.561 7.395) 12.881 56.510 ( 4.727 -8.224 -1.910) 9.675 57.720 ( 1.809 -1.114 -4.333) 4.826 58.209 ( -7.407 -3.872 -2.958) 8.866 60.281 ( 2.061 5.062 3.851) 6.685 60.554 ( -2.145 -3.249 -0.748) 3.964 ======================= Grid point 498 (246/355) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.860 ( 10.684 13.897 21.573) 27.797 5.130 ( -7.887 20.473 18.226) 28.523 5.982 ( 13.309 11.111 2.946) 17.586 6.466 ( -22.849 18.294 24.019) 37.864 6.676 ( -10.849 15.204 -12.131) 22.272 8.674 ( 11.023 11.937 -10.719) 19.465 9.304 ( 12.904 -0.395 2.410) 13.133 9.435 ( -1.949 4.359 1.852) 5.122 10.447 ( -4.119 4.707 4.972) 7.990 10.927 ( 8.953 7.880 -3.907) 12.551 11.516 ( 2.102 7.130 7.552) 10.597 12.253 ( -6.484 -7.048 -11.613) 15.053 13.742 ( 5.981 15.226 23.090) 28.298 14.974 ( -4.895 13.872 -5.747) 15.793 16.404 ( 15.439 -0.041 7.987) 17.383 17.121 ( -19.757 -2.377 -8.327) 21.572 18.483 ( 8.200 -1.664 10.045) 13.073 19.524 ( -14.305 -12.939 -19.239) 27.243 20.097 ( -4.282 2.430 7.851) 9.267 20.719 ( 6.499 -5.012 -8.115) 11.542 21.366 ( -2.342 1.601 2.791) 3.979 21.542 ( 8.682 -3.291 -1.324) 9.378 30.308 ( 9.985 -1.370 1.460) 10.184 30.381 ( -6.898 0.135 0.091) 6.900 30.801 ( 1.359 -7.016 1.205) 7.247 31.020 ( -4.510 0.029 -4.052) 6.063 32.555 ( -6.446 3.299 8.592) 11.236 33.474 ( 6.057 5.700 -18.756) 20.517 35.616 ( 1.256 -1.505 3.013) 3.595 35.883 ( -2.812 1.462 -4.902) 5.837 36.398 ( 0.299 2.029 2.135) 2.960 36.449 ( 0.963 0.815 0.413) 1.327 51.434 ( -7.525 -4.967 13.582) 16.303 52.187 ( 9.263 -4.008 -9.327) 13.743 54.975 ( 4.835 4.868 8.824) 11.177 55.316 ( -7.158 11.443 -1.450) 13.575 55.891 ( 5.289 8.715 7.725) 12.791 56.533 ( -3.231 0.114 -9.452) 9.989 57.854 ( 10.192 -7.229 1.907) 12.640 58.119 ( -9.484 -7.023 -4.220) 12.532 60.263 ( -2.336 4.330 5.567) 7.430 60.561 ( 2.410 -1.153 -3.129) 4.114 ======================= Grid point 499 (247/355) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.856 ( -6.568 16.528 22.016) 28.303 5.022 ( 0.494 23.125 18.891) 29.864 5.648 ( -13.600 23.804 -7.295) 28.369 6.254 ( 17.254 20.489 -3.240) 26.981 6.424 ( -19.316 2.585 26.096) 32.570 8.618 ( 13.164 15.888 -10.283) 23.054 9.359 ( -5.663 -0.336 -0.639) 5.709 9.510 ( 11.763 -2.863 -2.663) 12.396 10.202 ( -13.303 13.846 4.115) 19.637 10.978 ( 12.139 7.292 -7.070) 15.827 11.589 ( 0.112 -1.696 11.041) 11.172 12.188 ( 2.087 -3.519 -10.549) 11.314 13.797 ( 2.651 14.339 23.172) 27.378 14.539 ( -8.923 22.069 -15.164) 28.224 16.680 ( 13.297 8.147 10.462) 18.779 16.852 ( -9.750 -0.920 -10.882) 14.640 18.730 ( -1.439 -12.523 19.283) 23.038 19.363 ( -14.724 -20.009 -17.195) 30.213 20.057 ( -2.364 7.124 9.546) 12.144 20.802 ( 10.560 -0.864 -11.759) 15.828 21.331 ( -6.217 -4.796 1.753) 8.045 21.711 ( 9.440 -3.391 -3.302) 10.560 30.166 ( -16.853 1.237 1.212) 16.942 30.417 ( -2.402 -3.417 -1.477) 4.430 30.983 ( 8.560 -5.753 0.500) 10.326 31.047 ( 11.039 -1.639 -0.687) 11.181 32.459 ( -7.879 5.459 9.162) 13.260 33.332 ( 3.078 7.558 -17.586) 19.388 35.686 ( 2.851 -1.313 3.252) 4.519 35.800 ( -1.693 1.760 -3.336) 4.135 36.359 ( -3.088 0.931 0.029) 3.225 36.497 ( 5.740 1.623 0.473) 5.984 51.490 ( -7.579 -7.643 12.510) 16.503 52.305 ( 8.396 -4.338 -8.575) 12.761 54.914 ( -11.482 8.605 3.364) 14.738 55.179 ( 6.313 7.365 3.997) 10.492 55.899 ( 3.458 11.035 8.296) 14.232 56.347 ( -2.818 6.540 -12.784) 14.634 57.964 ( -11.438 -7.443 -2.527) 13.878 58.232 ( 11.853 -12.835 1.535) 17.538 60.173 ( -8.096 3.289 4.474) 9.817 60.628 ( 8.290 -0.276 -3.009) 8.824 ======================= Grid point 500 (248/355) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( -29.416 39.359 9.247) 49.999 4.871 ( -1.106 9.532 19.760) 21.967 5.474 ( 9.996 8.567 -6.444) 14.657 6.091 ( -2.160 16.581 -0.362) 16.725 6.491 ( 3.799 7.669 30.472) 31.651 8.533 ( 13.021 17.100 -11.995) 24.614 9.193 ( -10.094 5.971 -8.183) 14.301 9.686 ( 7.281 -6.910 -3.318) 10.572 9.948 ( -6.834 6.266 7.444) 11.890 10.977 ( 9.957 9.242 -10.604) 17.233 11.612 ( -8.296 -4.986 1.473) 9.790 12.303 ( 13.526 -0.934 -0.487) 13.567 13.687 ( -12.560 13.065 2.724) 18.327 14.203 ( 9.743 20.510 6.560) 23.635 16.592 ( -7.507 3.095 -16.267) 18.181 16.775 ( 5.880 14.627 9.081) 18.194 18.970 ( -7.500 -13.830 20.662) 25.970 19.333 ( -10.986 -20.822 -12.454) 26.634 19.988 ( -3.304 7.797 9.548) 12.762 20.929 ( 14.287 -3.865 -10.817) 18.332 21.312 ( -6.267 -6.768 -1.317) 9.318 21.845 ( 6.068 -4.595 -4.339) 8.761 29.895 ( -18.317 1.754 1.336) 18.449 30.359 ( -8.602 -4.868 -2.511) 10.198 31.177 ( 13.538 -0.173 0.665) 13.555 31.303 ( 13.294 -6.334 1.349) 14.788 32.329 ( -8.332 6.994 9.944) 14.739 33.158 ( 2.670 8.792 -14.867) 17.477 35.734 ( -0.752 0.392 -0.313) 0.904 35.791 ( 4.513 -0.676 1.990) 4.978 36.298 ( -2.885 1.145 -1.179) 3.321 36.568 ( 6.188 1.497 -0.469) 6.383 51.564 ( -7.891 -10.204 10.423) 16.584 52.413 ( 6.390 -4.483 -6.911) 10.426 54.619 ( -12.791 10.079 1.173) 16.327 55.237 ( 2.903 3.684 4.051) 6.198 55.820 ( 3.042 14.955 2.641) 15.488 56.212 ( 5.280 7.091 -4.477) 9.910 57.840 ( -14.114 -8.060 -3.855) 16.704 58.547 ( 8.783 -10.622 -0.493) 13.791 60.037 ( -9.189 0.971 2.592) 9.596 60.752 ( 9.637 -0.445 -1.848) 9.822 ======================= Grid point 501 (249/355) ======================= q-point: (-0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( -19.858 26.395 7.744) 33.926 4.930 ( 3.694 2.912 8.701) 9.891 5.393 ( 1.621 10.856 -12.528) 16.656 5.900 ( -0.662 15.765 11.792) 19.699 6.672 ( 3.423 5.876 24.806) 25.721 8.434 ( 11.924 15.310 -12.876) 23.288 8.888 ( -5.541 7.075 -13.748) 16.424 9.847 ( 4.707 -7.849 -2.267) 9.429 9.926 ( 0.639 0.742 6.002) 6.082 10.928 ( 7.790 7.526 -9.574) 14.457 11.542 ( -6.389 -2.724 -1.026) 7.020 12.501 ( 10.595 0.603 0.768) 10.640 13.280 ( -15.506 11.688 -7.233) 20.721 14.359 ( 19.974 11.179 20.926) 31.013 16.255 ( -6.975 13.939 -16.928) 23.011 16.773 ( 4.122 5.352 5.779) 8.890 19.034 ( -14.922 0.450 14.865) 21.067 19.369 ( -3.577 -19.632 -10.690) 22.638 19.919 ( -5.598 5.445 11.749) 14.107 21.083 ( 1.605 -5.278 -7.678) 9.455 21.347 ( 4.648 -10.434 -4.677) 12.343 21.941 ( 3.105 -5.788 -4.778) 8.122 29.622 ( -16.615 2.340 1.596) 16.855 30.281 ( -8.262 -6.238 -2.144) 10.572 31.378 ( 12.246 0.259 1.974) 12.407 31.555 ( 10.446 -4.019 0.615) 11.210 32.204 ( -6.571 6.644 10.953) 14.398 33.012 ( 4.462 8.531 -11.630) 15.097 35.726 ( 0.714 0.314 0.292) 0.833 35.901 ( 5.029 -2.263 2.773) 6.173 36.234 ( -1.922 1.591 -1.896) 3.134 36.629 ( 5.193 1.434 -1.346) 5.553 51.642 ( -8.183 -11.954 7.269) 16.207 52.495 ( 3.053 -3.555 -3.829) 6.052 54.361 ( -8.298 7.305 1.319) 11.134 55.155 ( -6.482 7.675 -1.063) 10.102 55.764 ( 10.403 9.437 -2.675) 14.298 56.249 ( 9.175 6.903 6.495) 13.192 57.702 ( -13.105 -6.922 -3.421) 15.210 58.695 ( 1.490 -4.213 -4.694) 6.481 59.947 ( -6.023 -3.216 0.954) 6.894 60.871 ( 7.148 0.190 -1.074) 7.231 ======================= Grid point 507 (250/355) ======================= q-point: ( 0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( 2.070 -0.000 8.470) 8.719 5.603 ( 11.930 -0.000 9.366) 15.167 5.997 ( 14.797 -0.000 -6.635) 16.216 6.455 ( -18.906 0.000 37.170) 41.702 7.528 ( 14.843 -0.000 -3.564) 15.265 8.852 ( 18.303 -0.000 -30.526) 35.593 9.142 ( -13.995 0.000 13.029) 19.122 9.707 ( 1.355 -0.000 13.387) 13.455 10.054 ( 4.233 -0.000 -2.221) 4.780 11.154 ( 8.858 -0.000 -6.844) 11.194 11.839 ( 3.313 -0.000 -7.059) 7.798 12.297 ( -10.641 0.000 -0.094) 10.641 13.551 ( 22.070 -0.000 28.406) 35.972 14.439 ( 11.045 -0.000 6.223) 12.678 16.588 ( -10.926 0.000 4.180) 11.698 17.656 ( -17.874 0.000 -4.854) 18.521 18.772 ( 2.388 -0.000 -17.354) 17.518 19.470 ( 8.205 -0.000 -15.695) 17.710 19.946 ( 1.904 -0.000 7.370) 7.612 20.439 ( 9.232 -0.000 8.744) 12.716 21.197 ( -4.642 0.000 -4.830) 6.700 21.725 ( -7.183 0.000 1.910) 7.432 29.741 ( 16.904 -0.000 2.903) 17.151 30.341 ( 5.949 -0.000 -2.481) 6.446 30.885 ( -12.975 0.000 4.977) 13.897 31.418 ( -13.903 0.000 -4.851) 14.725 32.603 ( -2.026 0.000 7.685) 7.948 33.530 ( 15.513 -0.000 -16.216) 22.441 35.567 ( -3.079 0.000 -0.124) 3.081 36.031 ( -0.406 0.000 -5.672) 5.687 36.394 ( 0.260 -0.000 1.206) 1.234 36.542 ( -4.046 0.000 3.887) 5.611 51.437 ( -11.969 0.000 13.147) 17.779 51.914 ( 10.542 -0.000 -11.050) 15.272 54.832 ( 6.071 -0.000 8.668) 10.583 55.769 ( 3.505 -0.000 -3.756) 5.138 56.009 ( 13.539 -0.000 2.379) 13.746 56.117 ( -3.935 0.000 3.612) 5.341 57.784 ( -3.847 0.000 -5.313) 6.560 58.256 ( -3.935 0.000 -1.868) 4.356 60.403 ( 5.307 -0.000 -0.647) 5.347 60.425 ( -4.979 0.000 4.072) 6.432 ======================= Grid point 509 (251/355) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.885 ( 8.732 3.042 14.713) 17.377 5.800 ( -0.866 6.803 20.145) 21.281 5.989 ( 9.003 10.415 -5.383) 14.782 6.509 ( -11.556 -7.623 24.566) 28.198 7.499 ( -6.567 5.426 -12.550) 15.168 8.831 ( 11.666 0.613 -32.359) 34.403 9.219 ( 7.323 4.992 21.935) 23.658 9.785 ( 4.970 12.069 13.088) 18.484 10.152 ( 2.847 -9.578 2.738) 10.361 11.182 ( 4.814 4.071 -7.279) 9.630 11.797 ( 0.967 5.386 -4.260) 6.935 12.156 ( -10.416 -5.068 -3.696) 12.159 13.966 ( 13.037 9.621 28.899) 33.131 14.776 ( 19.053 -7.141 13.532) 24.436 16.422 ( -10.607 2.922 0.358) 11.008 17.320 ( -22.048 -4.133 -9.849) 24.499 18.672 ( 7.250 10.620 -11.317) 17.130 19.448 ( -3.360 -7.538 -18.608) 20.356 20.059 ( 5.131 -1.101 6.581) 8.417 20.490 ( -6.011 -3.304 0.498) 6.878 21.259 ( 12.230 -0.531 1.706) 12.360 21.616 ( -7.334 2.383 1.447) 7.846 30.022 ( 17.783 -0.683 2.785) 18.012 30.412 ( 5.902 0.439 -2.886) 6.584 30.732 ( -13.659 -1.734 5.082) 14.677 31.182 ( -12.096 0.007 -6.044) 13.522 32.619 ( -3.705 0.202 8.758) 9.511 33.599 ( 10.901 1.236 -17.881) 20.978 35.550 ( -0.571 -0.585 2.014) 2.174 35.974 ( -1.721 -0.198 -6.286) 6.520 36.419 ( 2.371 0.928 1.762) 3.097 36.500 ( -4.225 0.623 2.860) 5.140 51.373 ( -9.789 -0.679 13.360) 16.576 52.010 ( 11.236 -1.252 -10.267) 15.272 54.968 ( 5.142 1.918 9.919) 11.336 55.716 ( -2.255 3.677 -5.845) 7.264 56.053 ( 3.218 7.789 6.605) 10.708 56.302 ( 8.460 -8.414 2.942) 12.289 57.711 ( -0.541 0.009 -5.043) 5.072 58.140 ( -8.961 -1.646 -5.649) 10.720 60.374 ( -1.947 2.532 4.107) 5.203 60.489 ( 2.666 -1.987 0.173) 3.329 ======================= Grid point 510 (252/355) ======================= q-point: (-0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.104 ( 13.025 6.364 16.517) 21.977 5.589 ( -11.545 18.523 11.909) 24.864 6.153 ( 10.863 1.302 11.675) 16.000 6.553 ( -12.311 -1.590 19.288) 22.937 7.090 ( -19.370 11.605 -16.263) 27.827 8.784 ( 11.992 0.143 -28.257) 30.696 9.406 ( 9.347 7.373 14.306) 18.611 9.724 ( 1.636 16.595 6.763) 17.994 10.402 ( 7.403 -7.378 10.814) 15.039 11.106 ( 1.145 6.044 -7.225) 9.489 11.692 ( -3.117 6.858 0.598) 7.557 12.071 ( -5.942 -7.852 -7.828) 12.579 14.130 ( 5.008 16.029 28.711) 33.262 15.173 ( 10.395 1.760 7.748) 13.083 16.325 ( 2.232 -4.097 2.947) 5.519 17.008 ( -17.681 -4.973 -11.332) 21.581 18.605 ( 6.230 8.626 -1.792) 10.791 19.255 ( -17.515 -8.817 -20.226) 28.171 20.154 ( 1.967 2.420 7.025) 7.686 20.517 ( 1.921 -9.858 -2.848) 10.440 21.459 ( 1.688 3.794 0.652) 4.203 21.502 ( 5.647 -0.006 0.520) 5.671 30.288 ( 13.488 -0.240 1.452) 13.568 30.407 ( -5.370 1.663 -1.373) 5.787 30.647 ( -4.848 -5.486 3.945) 8.316 31.019 ( -3.278 -0.131 -5.463) 6.372 32.606 ( -5.761 1.180 9.611) 11.267 33.571 ( 5.819 2.564 -18.429) 19.495 35.589 ( 2.094 -0.789 3.102) 3.825 35.902 ( -2.008 0.236 -6.174) 6.497 36.440 ( -2.893 1.430 2.295) 3.960 36.471 ( 2.849 0.802 1.425) 3.285 51.349 ( -8.446 -2.212 12.858) 15.542 52.121 ( 11.032 -1.692 -9.961) 14.960 55.071 ( 2.969 2.935 10.187) 11.010 55.551 ( -5.235 7.608 -4.803) 10.409 56.077 ( 4.684 6.840 7.704) 11.317 56.472 ( 2.278 -4.377 -1.965) 5.311 57.737 ( 6.276 -2.712 -1.391) 6.977 57.977 ( -11.807 -4.648 -6.756) 14.375 60.342 ( -3.354 2.280 4.542) 6.089 60.544 ( 3.846 -0.414 -0.979) 3.990 ======================= Grid point 511 (253/355) ======================= q-point: (-0.33 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( -4.948 15.253 16.001) 22.653 5.380 ( 7.801 10.005 9.081) 15.602 6.247 ( -10.568 18.953 -2.018) 21.794 6.395 ( -24.614 -1.571 29.069) 38.122 6.637 ( 2.235 10.483 -6.533) 12.552 8.794 ( 14.517 -0.441 -25.778) 29.588 9.473 ( -1.524 8.429 6.504) 10.755 9.606 ( 6.449 12.044 3.913) 14.211 10.506 ( -4.518 9.076 5.199) 11.394 11.056 ( 5.471 0.373 -5.733) 7.933 11.570 ( -8.891 0.458 3.856) 9.702 12.088 ( 5.295 -5.315 -6.022) 9.620 14.156 ( -2.782 15.101 27.055) 31.109 15.040 ( -3.408 18.938 -10.233) 21.794 16.644 ( 3.994 -13.502 6.302) 15.427 16.800 ( 3.007 0.908 -2.434) 3.973 18.615 ( -1.301 1.692 7.404) 7.705 18.942 ( -20.705 -13.894 -17.765) 30.616 20.189 ( 1.064 3.672 7.440) 8.364 20.683 ( 7.868 -8.692 -6.000) 13.170 21.324 ( -6.099 3.313 -1.367) 7.074 21.675 ( 11.055 0.117 -1.599) 11.171 30.215 ( -14.409 2.747 0.504) 14.677 30.366 ( -3.072 -1.081 -2.133) 3.892 30.810 ( 10.814 -7.127 4.148) 13.599 31.036 ( 8.402 -0.496 -3.332) 9.053 32.553 ( -7.715 2.654 10.186) 13.051 33.464 ( 2.153 3.706 -17.575) 18.090 35.664 ( 3.631 -0.634 3.262) 4.922 35.829 ( -1.527 0.663 -5.257) 5.514 36.386 ( -3.459 1.252 1.292) 3.899 36.531 ( 5.075 1.180 1.017) 5.309 51.353 ( -7.845 -4.000 11.555) 14.528 52.230 ( 10.117 -2.068 -9.725) 14.184 55.089 ( -4.739 5.887 7.516) 10.659 55.361 ( -2.115 7.293 -1.707) 7.783 56.118 ( 4.437 7.438 8.061) 11.832 56.442 ( -2.203 1.675 -7.989) 8.454 57.800 ( -11.734 -6.013 -4.987) 14.096 57.969 ( 10.807 -8.799 2.032) 14.083 60.263 ( -6.538 3.877 3.564) 8.395 60.615 ( 6.369 -0.829 -1.501) 6.596 ======================= Grid point 512 (254/355) ======================= q-point: (-0.25 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.020 ( -12.130 14.669 11.508) 22.243 5.313 ( -14.047 26.055 5.101) 30.037 5.699 ( -0.488 11.885 -6.675) 13.640 6.278 ( -24.599 0.595 27.461) 36.873 6.708 ( 14.343 8.894 7.185) 18.343 8.831 ( 16.425 4.549 -25.060) 30.307 9.313 ( -6.998 7.377 1.873) 10.339 9.643 ( 5.589 4.655 0.134) 7.275 10.227 ( -11.223 15.464 4.821) 19.706 11.073 ( 2.008 -1.606 -13.211) 13.459 11.500 ( -6.946 -3.577 4.576) 9.054 12.267 ( 13.429 -3.071 0.565) 13.787 14.011 ( -14.115 13.485 10.883) 22.350 14.711 ( 2.665 20.850 -1.986) 21.113 16.554 ( -7.375 -3.631 -11.636) 14.247 17.087 ( 12.081 8.487 12.747) 19.505 18.594 ( -10.720 -15.958 2.246) 19.355 18.873 ( -8.532 -15.000 2.011) 17.374 20.181 ( -0.669 6.434 5.482) 8.479 20.852 ( 10.933 -4.556 -7.385) 13.958 21.211 ( -4.901 -0.708 -2.956) 5.767 21.788 ( 7.166 -0.045 -3.456) 7.956 29.958 ( -15.731 3.435 0.909) 16.127 30.275 ( -8.001 -2.300 -3.095) 8.882 31.113 ( 14.675 -5.753 3.896) 16.236 31.190 ( 11.939 -2.117 -1.434) 12.209 32.461 ( -9.115 4.099 10.595) 14.565 33.316 ( 0.733 4.553 -15.644) 16.309 35.731 ( 0.769 -0.194 0.840) 1.155 35.793 ( 2.745 0.176 -1.274) 3.031 36.330 ( -2.778 1.487 0.515) 3.193 36.599 ( 5.584 1.207 -0.078) 5.714 51.374 ( -7.512 -5.898 9.674) 13.594 52.330 ( 8.587 -2.533 -8.934) 12.648 54.871 ( -12.136 10.789 1.356) 16.295 55.324 ( 1.184 3.215 3.720) 5.058 56.102 ( 0.170 8.607 1.876) 8.810 56.343 ( 2.283 3.953 -4.186) 6.193 57.665 ( -11.456 -6.189 -4.030) 13.630 58.282 ( 11.216 -10.765 2.758) 15.789 60.117 ( -8.446 4.989 2.374) 10.093 60.725 ( 7.616 -1.832 -1.511) 7.978 ======================= Grid point 513 (255/355) ======================= q-point: (-0.17 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.360 ( -32.667 33.604 3.107) 46.969 5.049 ( 0.564 7.359 4.164) 8.474 5.639 ( 4.936 9.001 -9.656) 14.093 6.100 ( -23.224 2.883 32.727) 40.234 6.839 ( 8.256 6.563 6.214) 12.241 8.785 ( 14.320 12.528 -23.014) 29.861 9.103 ( -8.995 9.317 -4.345) 13.660 9.646 ( -0.603 -3.816 -0.191) 3.868 10.044 ( 0.830 8.007 6.278) 10.209 10.993 ( -2.334 -3.174 -13.445) 14.010 11.496 ( -1.018 -0.794 1.778) 2.198 12.503 ( 12.247 -1.379 1.791) 12.454 13.607 ( -16.879 15.089 -5.007) 23.187 14.632 ( 5.610 10.575 11.511) 16.608 16.420 ( -1.225 2.138 -12.968) 13.200 17.034 ( -4.319 15.012 8.335) 17.706 18.823 ( 4.591 -23.518 -0.810) 23.976 18.925 ( -14.589 -10.210 13.903) 22.592 20.095 ( -2.801 8.125 3.862) 9.422 21.003 ( 7.710 -2.133 -4.657) 9.256 21.168 ( 1.071 -4.679 -6.597) 8.158 21.848 ( 3.685 -1.495 -4.055) 5.680 29.699 ( -14.411 4.052 1.603) 15.055 30.170 ( -7.245 -3.068 -3.219) 8.501 31.367 ( 12.272 -1.300 0.085) 12.341 31.431 ( 12.534 -5.895 2.669) 14.106 32.344 ( -9.432 4.841 11.109) 15.356 33.173 ( 1.436 4.842 -13.137) 14.075 35.722 ( -0.404 -0.408 -0.626) 0.849 35.870 ( 4.782 -0.688 2.093) 5.265 36.278 ( -1.557 2.017 -0.012) 2.548 36.658 ( 4.981 1.217 -1.408) 5.318 51.408 ( -7.034 -7.683 7.463) 12.814 52.417 ( 6.455 -2.786 -6.981) 9.907 54.571 ( -11.149 10.131 0.392) 15.070 55.294 ( -3.561 4.375 2.268) 6.080 55.980 ( 1.128 7.464 -5.996) 9.640 56.362 ( 4.325 2.600 3.571) 6.182 57.567 ( -7.446 -3.921 -1.115) 8.489 58.540 ( 6.455 -8.246 -1.134) 10.533 59.956 ( -7.650 3.582 2.224) 8.735 60.848 ( 6.879 -2.122 -1.388) 7.331 ======================= Grid point 514 (256/355) ======================= q-point: (-0.08 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -21.507 21.415 5.064) 30.770 5.026 ( 3.634 2.845 -7.911) 9.159 5.410 ( -4.352 12.921 -15.354) 20.534 6.036 ( -18.679 -0.105 41.316) 45.342 6.849 ( -0.700 4.720 -0.581) 4.807 8.654 ( 6.886 13.774 -13.178) 20.268 8.852 ( 1.640 6.887 -14.024) 15.710 9.764 ( 1.803 -10.850 2.332) 11.244 10.064 ( 6.626 5.823 3.470) 9.479 10.931 ( -1.037 -3.890 -8.294) 9.219 11.505 ( 1.940 1.440 0.003) 2.417 12.650 ( 6.752 1.663 -0.294) 6.960 13.155 ( -15.331 13.671 -5.892) 21.370 14.725 ( 3.360 -1.679 7.356) 8.259 16.281 ( 5.544 12.474 -7.332) 15.495 16.886 ( -4.394 5.249 7.730) 10.325 18.817 ( -18.906 -5.866 2.725) 19.982 19.188 ( 8.805 -13.283 5.188) 16.760 19.988 ( -4.665 6.292 6.711) 10.315 20.989 ( -3.662 0.818 -4.866) 6.145 21.310 ( 10.657 -8.312 -6.904) 15.176 21.885 ( 1.280 -3.487 -3.879) 5.371 29.472 ( -11.285 4.446 2.371) 12.359 30.102 ( -4.974 -4.224 -2.956) 7.164 31.543 ( 9.180 -1.207 1.029) 9.316 31.654 ( 7.879 -2.467 1.027) 8.320 32.247 ( -6.612 3.459 11.783) 13.947 33.070 ( 3.519 4.374 -10.797) 12.169 35.736 ( 0.970 -1.223 0.724) 1.721 35.957 ( 2.974 -1.519 1.893) 3.839 36.242 ( 0.723 2.612 0.080) 2.711 36.691 ( 3.246 1.185 -2.464) 4.244 51.453 ( -6.306 -8.798 4.910) 11.886 52.483 ( 3.367 -2.041 -3.689) 5.396 54.341 ( -6.797 6.245 0.928) 9.277 55.134 ( -7.427 7.656 -2.493) 10.954 55.912 ( 4.324 3.727 -6.564) 8.699 56.428 ( 1.756 -0.611 4.712) 5.065 57.536 ( -0.994 -0.284 3.356) 3.512 58.627 ( -0.125 -2.539 -5.922) 6.445 59.865 ( -4.004 -0.480 2.485) 4.736 60.943 ( 4.429 -0.932 -1.195) 4.681 ======================= Grid point 521 (257/355) ======================= q-point: (-0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.176 ( 13.523 -0.000 14.994) 20.191 5.975 ( -3.357 0.000 -15.004) 15.375 6.004 ( -10.186 -0.000 37.044) 38.419 6.533 ( 1.241 -0.000 18.959) 18.999 7.217 ( -19.784 -0.000 -16.642) 25.853 8.778 ( 11.137 -0.000 -31.152) 33.083 9.523 ( 7.693 0.000 17.426) 19.049 10.049 ( -2.160 -0.000 -1.847) 2.842 10.195 ( 16.075 0.000 21.357) 26.730 11.178 ( -1.046 -0.000 -9.806) 9.862 11.818 ( 0.850 -0.000 -3.093) 3.207 11.927 ( -11.526 -0.000 -4.249) 12.284 14.371 ( 1.805 -0.000 31.817) 31.868 15.140 ( 22.338 -0.000 14.412) 26.584 16.280 ( -9.299 -0.000 -0.034) 9.299 16.940 ( -12.407 -0.000 -15.728) 20.033 18.744 ( 2.454 -0.000 -6.185) 6.654 19.134 ( -15.878 -0.000 -18.643) 24.489 20.209 ( 9.615 -0.000 5.620) 11.137 20.356 ( -6.163 0.000 -0.902) 6.229 21.484 ( 14.915 -0.000 2.193) 15.075 21.530 ( -6.935 -0.000 -0.410) 6.947 30.287 ( 15.155 -0.000 1.362) 15.217 30.437 ( -0.956 -0.000 -4.263) 4.369 30.570 ( -11.042 -0.000 7.382) 13.282 31.017 ( -3.225 -0.000 -5.892) 6.717 32.619 ( -5.471 -0.000 9.978) 11.379 33.601 ( 5.657 -0.000 -18.381) 19.232 35.579 ( 2.455 -0.000 3.051) 3.916 35.903 ( -1.639 -0.000 -6.516) 6.719 36.459 ( -4.253 -0.000 2.327) 4.848 36.481 ( 3.660 -0.000 1.761) 4.062 51.324 ( -8.728 -0.000 12.637) 15.358 52.101 ( 11.592 -0.000 -10.116) 15.386 55.107 ( 2.434 -0.000 10.792) 11.063 55.647 ( -4.768 -0.000 -6.335) 7.928 56.184 ( 3.100 -0.000 6.487) 7.190 56.390 ( 5.982 -0.000 2.147) 6.356 57.708 ( 4.510 -0.000 -2.587) 5.199 57.917 ( -12.601 -0.000 -7.901) 14.873 60.370 ( -3.210 -0.000 4.284) 5.353 60.539 ( 3.936 -0.000 -0.162) 3.939 ======================= Grid point 523 (258/355) ======================= q-point: (-0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.455 ( 12.459 3.206 12.218) 17.742 5.675 ( -9.283 13.657 -3.429) 16.865 6.148 ( -17.511 -10.673 33.256) 39.071 6.668 ( -6.961 9.497 5.109) 12.836 6.772 ( -9.544 1.059 -7.318) 12.073 8.745 ( 12.218 -1.746 -29.113) 31.621 9.665 ( 2.791 5.795 11.264) 12.971 9.928 ( -1.495 10.193 -0.333) 10.307 10.581 ( 10.878 -1.172 14.249) 17.965 11.036 ( -5.866 -1.390 -13.172) 14.486 11.666 ( -9.644 7.679 0.003) 12.327 11.915 ( 2.553 -8.880 -1.730) 9.400 14.453 ( -10.715 7.795 27.979) 30.958 15.384 ( 2.725 8.407 -1.992) 9.059 16.342 ( 9.848 -8.466 11.097) 17.082 16.769 ( 2.840 -2.056 -12.375) 12.862 18.698 ( -2.971 2.992 0.014) 4.216 18.727 ( -25.272 -4.213 -15.012) 29.695 20.264 ( 0.733 3.275 2.010) 3.912 20.465 ( 9.856 -7.737 1.205) 12.587 21.407 ( -6.166 2.326 -3.380) 7.406 21.691 ( 12.147 0.647 0.157) 12.165 30.288 ( -11.198 3.018 -2.255) 11.815 30.345 ( -6.433 -1.244 -1.818) 6.800 30.676 ( 12.560 -3.375 7.440) 14.983 31.022 ( 7.426 -0.426 -4.138) 8.511 32.593 ( -7.468 0.768 10.774) 13.132 33.518 ( 1.391 1.053 -17.594) 17.680 35.654 ( 4.366 -0.190 3.007) 5.305 35.836 ( -1.380 0.059 -6.256) 6.407 36.410 ( -3.765 0.618 1.864) 4.246 36.551 ( 4.706 0.482 1.517) 4.968 51.292 ( -7.926 -1.206 11.187) 13.763 52.199 ( 10.832 -0.605 -10.257) 14.930 55.186 ( -0.604 2.115 10.581) 10.807 55.494 ( -7.022 3.142 -5.648) 9.544 56.252 ( 3.084 3.425 5.469) 7.153 56.446 ( 0.411 -0.704 -2.696) 2.817 57.694 ( -11.824 -2.436 -6.126) 13.537 57.826 ( 9.449 -3.067 1.377) 10.029 60.339 ( -3.792 1.969 3.386) 5.451 60.592 ( 3.642 -0.789 -0.728) 3.797 ======================= Grid point 524 (259/355) ======================= q-point: (-0.33 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.330 ( -11.210 12.053 0.702) 16.476 5.654 ( 7.900 5.094 3.545) 10.046 6.092 ( -25.028 15.473 -13.071) 32.198 6.191 ( -24.998 -6.370 37.787) 45.753 6.884 ( 8.918 5.804 9.626) 14.348 8.783 ( 14.449 -4.519 -26.740) 30.728 9.586 ( -5.028 12.582 3.113) 13.902 9.833 ( 3.320 8.353 1.797) 9.167 10.582 ( -6.809 12.099 1.664) 13.983 10.940 ( -5.241 -7.740 -14.125) 16.939 11.483 ( -6.321 2.865 5.461) 8.831 12.122 ( 9.731 -8.978 2.536) 13.481 14.297 ( -17.406 9.644 17.232) 26.324 15.117 ( -9.146 11.530 -11.259) 18.530 16.529 ( 5.949 3.968 -4.161) 8.273 17.093 ( 23.443 -8.500 16.004) 29.630 18.289 ( -26.379 -8.048 -12.312) 30.203 18.667 ( -6.811 -3.292 8.095) 11.079 20.264 ( 0.483 1.007 1.100) 1.568 20.718 ( 12.476 -5.348 0.656) 13.590 21.255 ( -4.782 3.011 -6.978) 8.979 21.819 ( 8.316 1.860 -1.848) 8.720 30.049 ( -12.772 3.838 -2.327) 13.537 30.235 ( -8.343 -1.356 -1.153) 8.530 30.981 ( 14.978 -4.409 6.689) 16.986 31.150 ( 10.807 -1.483 -2.777) 11.256 32.531 ( -9.278 1.841 11.059) 14.553 33.386 ( -0.874 1.590 -15.948) 16.051 35.734 ( 2.632 0.366 1.091) 2.873 35.788 ( 1.048 -0.593 -3.716) 3.906 36.363 ( -2.800 1.131 1.519) 3.381 36.626 ( 5.395 0.936 0.751) 5.526 51.275 ( -7.345 -2.572 9.384) 12.191 52.288 ( 9.598 -1.078 -10.202) 14.048 55.115 ( -8.839 9.135 3.437) 13.168 55.370 ( -2.765 0.189 1.541) 3.171 56.239 ( -3.366 3.220 -0.136) 4.660 56.407 ( 0.421 1.526 -4.021) 4.321 57.558 ( -6.930 -2.660 -1.896) 7.661 58.064 ( 11.264 -6.978 3.844) 13.796 60.245 ( -5.848 5.106 2.072) 8.035 60.666 ( 4.537 -2.830 -1.162) 5.472 ======================= Grid point 525 (260/355) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.981 ( -22.973 14.739 -1.113) 27.317 5.350 ( -13.766 18.841 -6.926) 24.341 5.788 ( 1.548 2.987 -3.312) 4.721 6.115 ( -27.414 -0.361 39.504) 48.086 6.964 ( 2.936 4.288 4.299) 6.745 8.886 ( 16.571 -4.134 -26.780) 31.762 9.345 ( -7.956 12.888 2.015) 15.279 9.760 ( -1.015 9.767 -2.575) 10.152 10.313 ( -5.681 13.880 4.690) 15.714 10.820 ( -8.682 -9.244 -14.345) 19.147 11.476 ( -0.406 -1.428 3.897) 4.170 12.401 ( 10.709 -7.297 3.314) 13.376 13.962 ( -17.329 13.781 1.383) 22.183 14.802 ( -12.763 2.838 -5.261) 14.093 16.525 ( 9.344 8.763 -4.334) 13.523 17.371 ( -5.758 11.609 12.404) 17.938 18.231 ( 5.728 -24.628 -3.450) 25.520 18.685 ( -12.431 -8.960 15.996) 22.151 20.240 ( -1.068 3.173 -1.239) 3.570 20.953 ( 11.037 -1.995 2.438) 11.478 21.121 ( -0.602 0.388 -11.358) 11.380 21.868 ( 4.596 2.521 -3.070) 6.075 29.805 ( -11.580 4.504 -1.459) 12.510 30.128 ( -6.509 -0.648 -1.405) 6.690 31.295 ( 13.256 -5.042 5.486) 15.207 31.319 ( 11.342 -2.460 -1.089) 11.657 32.434 ( -10.552 2.732 11.049) 15.520 33.246 ( -1.116 1.559 -13.896) 14.028 35.716 ( -0.810 0.033 -2.276) 2.416 35.850 ( 4.154 -1.098 1.186) 4.457 36.325 ( -1.215 1.789 1.309) 2.528 36.691 ( 5.287 1.516 -0.558) 5.528 51.270 ( -6.604 -4.009 7.602) 10.838 52.366 ( 8.225 -1.519 -9.226) 12.453 54.833 ( -11.752 11.429 -0.497) 16.401 55.362 ( -2.681 1.006 4.558) 5.382 56.090 ( -7.743 1.645 -6.582) 10.294 56.390 ( 0.975 0.361 -1.662) 1.961 57.525 ( -0.405 0.175 2.701) 2.737 58.335 ( 9.126 -8.261 2.264) 12.516 60.087 ( -7.120 6.650 1.489) 9.855 60.771 ( 5.032 -4.171 -1.467) 6.699 ======================= Grid point 526 (261/355) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( -34.521 26.268 0.082) 43.379 5.106 ( -0.256 4.409 -10.106) 11.029 5.681 ( -2.482 7.127 -14.087) 15.981 5.989 ( -30.365 -0.943 48.813) 57.495 6.919 ( -4.679 1.243 -3.412) 5.923 8.935 ( 16.507 5.426 -29.948) 34.624 9.068 ( -13.319 11.411 3.624) 17.909 9.609 ( -2.129 1.677 0.458) 2.749 10.231 ( 5.235 8.064 5.926) 11.294 10.749 ( -5.472 -10.134 -9.132) 14.698 11.518 ( 1.235 -1.425 0.504) 1.951 12.621 ( 7.495 -4.100 0.867) 8.587 13.521 ( -15.203 15.881 -6.300) 22.870 14.617 ( -12.774 -7.314 -2.403) 14.915 16.542 ( 11.942 11.181 -1.274) 16.409 17.092 ( -15.884 10.156 8.165) 20.545 18.557 ( -7.101 -13.550 -1.781) 15.401 18.856 ( 6.545 -14.982 20.987) 26.603 20.141 ( -2.120 5.873 -3.246) 7.037 20.993 ( -2.625 -0.470 -4.064) 4.861 21.200 ( 13.820 -1.640 -5.605) 15.003 21.864 ( 1.726 1.637 -3.316) 4.081 29.591 ( -8.985 5.140 0.026) 10.352 30.047 ( -3.793 -0.409 -1.950) 4.284 31.483 ( 8.289 -3.467 -0.624) 9.006 31.581 ( 11.765 -3.501 4.270) 12.997 32.321 ( -10.519 2.580 11.328) 15.673 33.133 ( 0.212 1.041 -11.830) 11.877 35.705 ( -0.125 -1.130 -0.419) 1.212 35.924 ( 2.359 -1.555 1.229) 3.081 36.307 ( 1.104 2.600 1.309) 3.113 36.730 ( 4.063 2.129 -2.115) 5.051 51.285 ( -5.465 -5.340 5.980) 9.703 52.438 ( 6.661 -1.589 -6.785) 9.640 54.535 ( -10.136 9.824 -0.422) 14.121 55.284 ( -6.825 4.801 1.036) 8.408 55.938 ( -5.886 -2.248 -6.662) 9.170 56.395 ( 0.377 -1.109 -1.201) 1.678 57.572 ( 4.807 2.898 6.325) 8.456 58.524 ( 4.492 -5.690 -2.436) 7.648 59.925 ( -6.211 5.077 2.288) 8.342 60.882 ( 4.433 -4.090 -1.566) 6.231 ======================= Grid point 527 (262/355) ======================= q-point: (-0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -24.447 14.677 3.983) 28.791 4.962 ( -4.204 1.738 -16.686) 17.295 5.368 ( -5.401 10.157 -21.798) 24.647 5.960 ( -29.056 -5.843 54.885) 62.376 6.776 ( -7.324 -0.417 -8.059) 10.897 8.756 ( -10.516 9.945 4.612) 15.191 8.886 ( 14.023 6.016 -29.532) 33.241 9.690 ( 1.792 -8.955 3.593) 9.814 10.281 ( 6.519 6.486 5.126) 10.528 10.771 ( -0.790 -8.813 -4.621) 9.982 11.551 ( 1.873 -0.745 -1.342) 2.421 12.724 ( 3.580 -0.110 -1.551) 3.903 13.079 ( -13.672 14.521 -6.155) 20.873 14.553 ( -9.174 -12.538 -5.692) 16.546 16.594 ( 13.318 11.903 3.513) 18.205 16.880 ( -10.008 2.736 9.836) 14.297 18.457 ( -19.954 -8.427 1.655) 21.724 19.285 ( 13.255 -8.434 9.963) 18.604 20.025 ( -1.709 5.401 -0.658) 5.703 20.930 ( -1.623 0.503 -5.625) 5.876 21.363 ( 10.110 -1.415 -4.545) 11.175 21.847 ( 0.067 -0.622 -2.926) 2.992 29.427 ( -5.224 5.558 1.626) 7.799 30.004 ( -0.963 -1.082 -2.552) 2.935 31.625 ( 5.446 -3.451 0.353) 6.457 31.747 ( 4.454 1.007 1.652) 4.857 32.258 ( -5.703 -0.324 11.887) 13.188 33.068 ( 2.462 0.253 -10.337) 10.629 35.735 ( 0.901 -2.345 1.226) 2.795 35.968 ( -0.159 -1.708 0.847) 1.913 36.316 ( 3.387 3.061 1.412) 4.778 36.726 ( 1.737 2.418 -3.379) 4.503 51.320 ( -4.064 -6.080 4.371) 8.520 52.497 ( 4.148 -0.389 -3.191) 5.248 54.323 ( -5.908 5.394 0.701) 8.031 55.076 ( -9.117 6.447 -4.307) 11.968 55.881 ( -3.260 -4.529 -4.110) 6.931 56.410 ( 0.539 -1.451 -0.935) 1.809 57.678 ( 7.956 3.891 8.721) 12.429 58.552 ( -1.137 -0.685 -7.345) 7.464 59.839 ( -3.217 0.724 3.327) 4.684 60.965 ( 2.738 -2.369 -1.459) 3.904 ======================= Grid point 535 (263/355) ======================= q-point: (-0.42 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.519 ( -11.583 0.000 -16.437) 20.108 5.692 ( 5.781 -0.000 8.813) 10.540 6.080 ( -20.478 0.000 46.240) 50.572 6.280 ( -25.475 0.000 -15.958) 30.061 6.962 ( 6.260 -0.000 14.048) 15.379 8.720 ( 13.305 -0.000 -27.326) 30.394 9.782 ( -1.802 0.000 8.289) 8.482 9.928 ( -3.298 0.000 -2.176) 3.951 10.766 ( -10.315 0.000 -18.392) 21.087 10.785 ( 3.475 -0.000 6.682) 7.532 11.581 ( -10.275 0.000 -1.154) 10.339 11.947 ( 8.524 -0.000 7.561) 11.395 14.422 ( -19.573 0.000 20.388) 28.263 15.244 ( -16.963 0.000 -17.430) 24.322 16.764 ( 31.056 -0.000 23.887) 39.180 16.785 ( 12.098 -0.000 -10.064) 15.737 18.203 ( -30.649 0.000 -7.606) 31.579 18.642 ( -8.582 0.000 3.698) 9.345 20.269 ( 0.064 -0.000 -1.951) 1.952 20.647 ( 15.084 -0.000 4.683) 15.794 21.299 ( -5.043 0.000 -8.070) 9.516 21.846 ( 8.678 -0.000 -1.027) 8.739 30.108 ( -10.798 0.000 -8.080) 13.487 30.211 ( -9.293 0.000 3.989) 10.113 30.926 ( 15.155 -0.000 7.765) 17.028 31.129 ( 10.215 -0.000 -3.069) 10.666 32.552 ( -9.242 0.000 11.215) 14.532 33.404 ( -1.550 0.000 -16.025) 16.100 35.742 ( 4.859 -0.000 2.257) 5.358 35.776 ( -1.060 0.000 -5.830) 5.926 36.378 ( -2.841 0.000 1.825) 3.377 36.638 ( 5.398 -0.000 1.174) 5.524 51.245 ( -7.298 0.000 9.306) 11.826 52.275 ( 9.895 -0.000 -10.608) 14.507 55.259 ( -1.990 0.000 10.948) 11.127 55.342 ( -9.751 0.000 -5.960) 11.428 56.274 ( -5.413 0.000 -1.542) 5.628 56.424 ( -0.158 0.000 -3.833) 3.836 57.530 ( -4.237 0.000 -0.301) 4.248 57.976 ( 10.768 -0.000 3.814) 11.423 60.318 ( -3.939 0.000 1.974) 4.406 60.622 ( 2.506 -0.000 -1.025) 2.708 ======================= Grid point 536 (264/355) ======================= q-point: (-0.33 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.181 ( -16.669 4.113 -12.708) 21.361 5.712 ( -11.800 6.473 -2.323) 13.658 5.807 ( -17.350 1.299 -1.874) 17.500 6.115 ( -17.138 0.215 38.604) 42.238 7.050 ( -3.791 2.412 8.749) 9.836 8.764 ( 14.641 -3.572 -24.880) 29.088 9.663 ( -7.405 11.973 1.947) 14.211 9.896 ( -1.766 -0.805 -0.487) 2.001 10.534 ( -4.241 -0.335 -14.034) 14.665 10.738 ( -7.871 5.989 -2.321) 10.159 11.429 ( -8.864 -1.939 2.113) 9.316 12.204 ( 10.700 -6.676 8.151) 15.016 14.220 ( -17.634 6.578 11.303) 21.954 14.794 ( -23.392 -1.742 -21.833) 32.046 16.827 ( 14.908 13.485 -3.675) 20.435 17.490 ( 22.092 -5.144 26.044) 34.537 17.764 ( -20.306 -8.812 -4.877) 22.666 18.537 ( -13.302 -3.148 8.648) 16.175 20.263 ( 0.589 -0.226 -2.528) 2.605 20.917 ( 15.294 -0.877 5.450) 16.260 21.153 ( -3.029 1.306 -13.735) 14.126 21.926 ( 4.945 1.566 -1.987) 5.555 29.890 ( -9.161 2.071 -7.823) 12.223 30.127 ( -6.269 0.183 4.016) 7.447 31.208 ( 13.767 -2.005 8.075) 16.086 31.267 ( 9.859 -1.425 -2.090) 10.178 32.477 ( -10.763 0.922 10.920) 15.360 33.263 ( -2.774 0.159 -14.158) 14.428 35.723 ( -0.784 0.344 -4.323) 4.407 35.823 ( 3.547 -0.883 1.228) 3.856 36.357 ( -1.046 0.731 1.927) 2.311 36.721 ( 5.732 0.767 0.318) 5.792 51.210 ( -6.493 -1.212 7.658) 10.113 52.343 ( 8.983 -0.458 -10.337) 13.702 55.088 ( -10.620 8.746 -2.758) 14.031 55.327 ( -3.467 -3.647 7.590) 9.106 56.090 ( -14.288 -0.628 -7.367) 16.088 56.397 ( 0.737 0.186 -3.960) 4.032 57.549 ( 3.968 1.112 4.862) 6.374 58.182 ( 9.907 -3.794 4.051) 11.356 60.232 ( -5.535 4.320 0.516) 7.040 60.671 ( 2.873 -3.271 -1.173) 4.509 ======================= Grid point 537 (265/355) ======================= q-point: (-0.25 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( -30.489 10.215 -8.160) 33.174 5.291 ( -9.312 11.171 -12.520) 19.190 5.678 ( -16.274 -4.375 5.290) 17.662 6.071 ( -20.241 5.107 35.942) 41.564 6.931 ( -12.910 0.188 0.178) 12.913 8.874 ( 14.476 -5.897 -23.498) 28.222 9.383 ( -11.487 13.270 1.394) 17.607 9.806 ( -3.510 8.096 -3.937) 9.662 10.444 ( 1.805 8.485 1.626) 8.826 10.524 ( -6.970 -5.079 -8.610) 12.186 11.407 ( -5.393 -7.864 1.539) 9.658 12.477 ( 8.499 -6.704 4.821) 11.850 13.876 ( -16.274 13.432 -5.781) 21.879 14.408 ( -20.929 -9.486 -10.170) 25.128 16.846 ( 12.133 13.549 -0.969) 18.213 17.283 ( -24.947 4.490 8.006) 26.582 18.256 ( 16.244 -10.463 6.442) 20.368 18.509 ( -5.668 -12.424 20.909) 24.973 20.237 ( 0.193 2.086 -4.436) 4.906 20.994 ( -2.264 0.617 -13.170) 13.377 21.186 ( 15.799 -0.022 1.352) 15.857 21.929 ( 1.591 2.900 -2.460) 4.122 29.693 ( -6.475 3.044 -6.515) 9.677 30.073 ( -2.712 2.138 3.297) 4.774 31.404 ( 7.833 -2.601 -0.740) 8.287 31.493 ( 12.110 -3.503 7.157) 14.496 32.370 ( -11.803 1.512 10.358) 15.776 33.133 ( -2.459 -0.615 -12.281) 12.540 35.689 ( -0.517 -0.262 -2.251) 2.325 35.882 ( 1.393 -1.765 0.673) 2.347 36.359 ( 1.322 1.618 2.039) 2.919 36.784 ( 5.251 2.039 -1.150) 5.749 51.193 ( -5.298 -2.430 6.506) 8.735 52.410 ( 8.432 -0.747 -8.701) 12.139 54.790 ( -11.011 10.708 -2.350) 15.538 55.345 ( -4.977 -0.208 5.565) 7.469 55.831 ( -16.016 -5.038 -8.123) 18.651 56.390 ( 2.078 0.315 -2.960) 3.630 57.651 ( 7.326 3.185 6.608) 10.367 58.386 ( 7.225 -5.154 1.199) 8.955 60.074 ( -6.815 6.444 0.148) 9.380 60.763 ( 3.470 -5.327 -1.363) 6.502 ======================= Grid point 538 (266/355) ======================= q-point: (-0.17 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( -37.296 17.708 -2.271) 41.349 5.007 ( -7.660 3.350 -15.107) 17.266 5.467 ( -17.044 -3.206 -10.537) 20.293 5.940 ( -25.737 4.618 45.700) 52.652 6.723 ( -14.569 -3.306 -4.761) 15.680 8.925 ( -4.258 -0.287 -11.713) 12.466 9.059 ( -0.703 10.230 -11.689) 15.549 9.640 ( -0.659 6.658 0.341) 6.700 10.387 ( -5.235 0.572 7.766) 9.383 10.582 ( 9.691 -4.600 -6.863) 12.735 11.447 ( -3.481 -8.165 -0.141) 8.877 12.664 ( 5.102 -4.492 0.890) 6.856 13.396 ( -17.326 11.377 -13.512) 24.743 14.258 ( -11.635 -10.838 -2.180) 16.050 16.832 ( 0.898 7.692 2.274) 8.071 16.999 ( -9.950 6.377 8.247) 14.411 18.253 ( -19.590 -7.400 6.669) 21.977 19.036 ( 19.824 -11.675 18.362) 29.436 20.158 ( 1.172 5.256 -6.924) 8.771 20.890 ( -0.205 -2.541 -14.294) 14.519 21.397 ( 12.900 2.608 1.775) 13.280 21.881 ( -0.739 2.821 -2.381) 3.765 29.544 ( -3.028 3.725 -4.435) 6.535 30.040 ( 0.533 3.858 2.019) 4.386 31.536 ( 5.343 -3.583 -0.011) 6.433 31.732 ( 9.035 -2.193 4.891) 10.505 32.256 ( -11.220 0.328 10.769) 15.555 33.043 ( -0.955 -1.982 -10.763) 10.985 35.687 ( 0.020 -1.493 0.065) 1.494 35.916 ( -0.666 -2.517 0.356) 2.628 36.383 ( 3.218 2.394 1.915) 4.445 36.802 ( 3.591 3.572 -2.972) 5.872 51.206 ( -3.649 -3.531 5.767) 7.684 52.488 ( 7.930 -0.328 -5.381) 9.589 54.504 ( -9.137 9.417 -1.052) 13.163 55.213 ( -10.900 4.777 -2.013) 12.069 55.692 ( -10.132 -10.259 -2.642) 14.659 56.410 ( 3.710 0.803 -1.586) 4.114 57.772 ( 8.292 3.736 7.179) 11.587 58.505 ( 3.026 -2.953 -4.163) 5.933 59.909 ( -6.507 4.652 1.327) 8.108 60.869 ( 3.375 -5.305 -1.484) 6.460 ======================= Grid point 539 (267/355) ======================= q-point: (-0.08 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -29.147 6.711 3.352) 30.097 4.720 ( -16.499 -1.681 -14.113) 21.777 5.128 ( -12.207 1.862 -21.592) 24.874 5.897 ( -25.457 -2.552 52.413) 58.324 6.542 ( -12.257 -5.727 -5.230) 14.505 8.631 ( -20.981 1.564 7.493) 22.334 8.986 ( 16.828 6.957 -31.185) 36.113 9.664 ( 1.609 -4.227 5.044) 6.775 10.356 ( -7.204 -0.686 7.194) 10.204 10.753 ( 10.855 -2.551 -3.707) 11.751 11.488 ( -2.428 -6.535 -1.282) 7.088 12.741 ( 0.224 -2.085 -2.611) 3.349 12.975 ( -10.599 8.684 -9.450) 16.645 14.264 ( -4.107 -10.603 -2.029) 11.550 16.735 ( -8.513 -0.461 5.363) 10.072 16.963 ( 4.424 6.228 7.995) 11.058 18.067 ( -22.451 -7.750 5.559) 24.393 19.473 ( 11.771 -4.073 10.022) 15.987 20.099 ( 6.694 5.329 -3.712) 9.327 20.843 ( 0.543 -4.095 -12.229) 12.908 21.504 ( 7.312 5.721 -0.484) 9.297 21.826 ( -1.156 0.962 -1.569) 2.173 29.459 ( 1.024 4.311 -1.857) 4.804 30.026 ( 3.060 4.073 0.119) 5.096 31.640 ( 2.217 -3.664 0.955) 4.388 31.817 ( -0.587 3.671 1.414) 3.977 32.243 ( -3.375 -4.564 11.735) 13.036 33.006 ( 1.496 -3.417 -10.222) 10.881 35.726 ( 0.693 -2.850 1.708) 3.394 35.929 ( -1.897 -2.608 0.362) 3.246 36.414 ( 3.517 2.843 1.055) 4.644 36.760 ( 0.803 4.601 -4.316) 6.360 51.250 ( -1.830 -4.043 5.133) 6.785 52.562 ( 6.057 2.046 -1.371) 6.539 54.309 ( -4.914 4.861 0.801) 6.958 54.953 ( -11.316 3.794 -6.018) 13.366 55.691 ( -6.927 -9.829 0.126) 12.025 56.455 ( 5.535 1.907 -0.448) 5.871 57.903 ( 8.292 3.065 7.466) 11.571 58.475 ( -1.951 1.087 -9.426) 9.687 59.813 ( -4.558 -0.089 2.781) 5.340 60.955 ( 2.281 -3.406 -1.441) 4.345 ======================= Grid point 548 (268/355) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.797 ( -25.595 0.000 -13.552) 28.961 5.486 ( -12.394 0.000 -11.934) 17.206 5.590 ( -21.158 0.000 8.596) 22.837 6.137 ( -17.861 0.000 34.957) 39.255 6.934 ( -17.926 0.000 2.650) 18.121 8.790 ( 14.033 -0.000 -22.131) 26.205 9.602 ( -15.459 0.000 0.732) 15.476 9.839 ( 0.389 -0.000 -1.370) 1.424 10.438 ( 5.959 -0.000 -13.439) 14.701 10.664 ( -9.345 0.000 -2.373) 9.642 11.245 ( -12.705 0.000 4.366) 13.434 12.382 ( 9.948 -0.000 7.675) 12.565 14.124 ( -12.036 0.000 10.054) 15.683 14.207 ( -27.443 0.000 -28.454) 39.532 17.069 ( 11.093 -0.000 -5.274) 12.282 17.301 ( -29.534 0.000 7.083) 30.371 18.117 ( 33.918 -0.000 24.977) 42.122 18.347 ( -17.852 0.000 9.606) 20.272 20.258 ( 1.565 -0.000 -3.325) 3.675 21.006 ( -2.242 0.000 -18.227) 18.364 21.188 ( 16.467 -0.000 4.427) 17.051 21.968 ( 1.425 -0.000 -1.977) 2.437 29.729 ( -5.463 0.000 -10.307) 11.665 30.108 ( -1.978 0.000 6.560) 6.852 31.372 ( 7.640 -0.000 -1.549) 7.796 31.444 ( 11.593 -0.000 9.259) 14.837 32.389 ( -11.904 0.000 9.894) 15.479 33.123 ( -3.578 0.000 -12.367) 12.875 35.687 ( -0.508 0.000 -3.359) 3.397 35.857 ( 0.891 -0.000 0.724) 1.148 36.379 ( 1.366 -0.000 2.261) 2.641 36.811 ( 5.811 -0.000 -0.696) 5.852 51.165 ( -5.312 0.000 6.664) 8.522 52.401 ( 8.994 -0.000 -9.355) 12.977 54.957 ( -10.428 0.000 -5.364) 11.726 55.308 ( -4.644 0.000 9.880) 10.917 55.766 ( -19.443 0.000 -9.179) 21.501 56.395 ( 2.382 -0.000 -3.001) 3.831 57.695 ( 7.913 -0.000 6.157) 10.026 58.317 ( 8.079 -0.000 2.820) 8.557 60.169 ( -6.812 0.000 -1.324) 6.939 60.682 ( 2.943 -0.000 -0.786) 3.046 ======================= Grid point 549 (269/355) ======================= q-point: (-0.25 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.252 ( -34.270 5.292 -8.999) 35.825 5.155 ( -19.259 7.780 -9.886) 23.004 5.336 ( -17.393 -5.874 -3.905) 18.769 6.039 ( -28.334 1.935 38.004) 47.444 6.657 ( -18.821 -1.598 -1.238) 18.929 8.843 ( 6.366 -3.145 -16.156) 17.648 9.290 ( -15.642 6.681 -5.067) 17.748 9.845 ( 2.119 4.864 -0.732) 5.356 10.393 ( -6.652 5.228 -3.122) 9.018 10.543 ( 5.400 -2.677 -5.658) 8.266 11.204 ( -6.789 -9.247 6.299) 13.087 12.559 ( 5.437 -3.036 3.212) 7.006 13.596 ( -22.912 4.725 -24.076) 33.570 14.076 ( -7.796 -4.088 5.595) 10.430 16.943 ( -23.042 1.894 9.221) 24.890 17.140 ( 4.941 4.074 -3.226) 7.170 18.141 ( -20.913 -1.915 10.977) 23.696 18.796 ( 27.634 -6.539 23.501) 36.860 20.251 ( 2.758 2.137 -4.914) 6.027 20.845 ( 0.121 -1.012 -23.518) 23.540 21.445 ( 14.602 1.135 4.939) 15.457 21.942 ( -1.661 1.643 -1.712) 2.896 29.598 ( -1.605 0.979 -10.245) 10.416 30.143 ( 2.505 3.260 6.854) 7.993 31.469 ( 5.262 -1.727 -0.680) 5.580 31.671 ( 9.004 -1.933 8.978) 12.861 32.270 ( -12.614 0.539 8.793) 15.386 32.997 ( -3.365 -1.299 -10.767) 11.355 35.666 ( -0.278 -0.357 -1.391) 1.463 35.864 ( -1.255 -1.364 0.272) 1.873 36.423 ( 3.092 0.896 2.264) 3.935 36.872 ( 5.074 1.729 -2.568) 5.944 51.150 ( -3.756 -1.151 6.461) 7.561 52.483 ( 9.886 -0.099 -6.633) 11.905 54.727 ( -9.645 7.341 -3.886) 12.729 55.286 ( -8.893 0.802 3.087) 9.448 55.463 ( -16.092 -6.610 -3.722) 17.791 56.426 ( 4.207 0.400 -1.082) 4.362 57.842 ( 8.020 1.759 5.454) 9.857 58.439 ( 5.434 -1.849 -0.973) 5.822 60.020 ( -8.441 3.412 -1.965) 9.314 60.749 ( 3.564 -3.583 -0.685) 5.100 ======================= Grid point 550 (270/355) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -39.859 11.416 -2.152) 41.517 4.654 ( -31.118 -2.903 -13.104) 33.889 5.140 ( -9.470 -0.195 -10.632) 14.240 5.848 ( -34.511 -2.954 42.736) 55.010 6.435 ( -13.818 -2.267 -1.222) 14.056 8.664 ( -27.047 0.323 3.476) 27.272 9.101 ( 13.045 3.030 -24.538) 27.954 9.751 ( 0.965 10.692 -0.149) 10.737 10.299 ( -6.509 -2.597 8.405) 10.943 10.663 ( 6.234 -7.003 -6.508) 11.413 11.302 ( 0.111 -7.243 4.979) 8.790 12.627 ( -3.910 -5.900 -4.501) 8.388 13.138 ( -10.913 4.814 -15.445) 19.515 14.086 ( -2.431 -4.184 4.840) 6.843 16.704 ( -18.134 -1.807 10.597) 21.081 17.109 ( 1.382 5.198 -3.868) 6.624 17.932 ( -22.823 -3.416 12.909) 26.443 19.358 ( 17.796 -4.773 18.924) 26.412 20.228 ( 7.487 5.047 -7.435) 11.696 20.727 ( 1.394 -4.618 -22.577) 23.087 21.636 ( 10.905 4.252 3.571) 12.237 21.869 ( -3.305 2.037 -1.044) 4.020 29.524 ( 2.545 1.330 -8.692) 9.154 30.183 ( 5.612 7.699 5.639) 11.071 31.558 ( 2.862 -3.110 0.583) 4.266 31.855 ( 5.186 -0.698 4.810) 7.108 32.154 ( -11.121 -1.936 10.398) 15.347 32.914 ( -2.094 -3.652 -9.847) 10.709 35.673 ( 0.027 -1.484 0.806) 1.689 35.862 ( -2.250 -2.568 0.012) 3.414 36.471 ( 3.423 1.780 1.699) 4.215 36.872 ( 2.969 4.057 -4.985) 7.080 51.175 ( -1.830 -2.179 6.756) 7.330 52.601 ( 11.065 1.142 -2.273) 11.354 54.477 ( -7.883 8.431 -1.645) 11.659 55.032 ( -15.563 2.314 -6.553) 17.044 55.438 ( -7.563 -10.242 4.430) 13.480 56.495 ( 6.438 1.158 1.014) 6.619 57.967 ( 7.442 2.110 5.174) 9.306 58.480 ( 1.433 -0.449 -7.398) 7.549 59.843 ( -8.972 2.169 -0.384) 9.238 60.848 ( 3.568 -4.740 -0.971) 6.012 ======================= Grid point 551 (271/355) ======================= q-point: (-0.08 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -32.453 1.073 6.039) 33.028 4.192 ( -32.675 -10.632 -6.958) 35.058 4.906 ( -6.020 3.052 -14.107) 15.638 5.729 ( -35.959 -12.272 44.769) 58.719 6.287 ( -10.790 -3.034 1.106) 11.263 8.298 ( -28.955 -4.962 9.459) 30.862 9.107 ( 19.225 5.690 -31.055) 36.965 9.702 ( 0.634 1.189 5.039) 5.216 10.296 ( -5.731 0.732 8.734) 10.472 10.764 ( -1.171 -9.015 -4.924) 10.339 11.414 ( 2.667 -1.635 3.130) 4.426 12.550 ( -8.045 -9.220 -8.764) 15.051 12.962 ( 2.289 5.564 -5.234) 7.975 14.174 ( 2.452 -5.142 4.366) 7.177 16.607 ( -10.447 -4.321 7.709) 13.683 16.996 ( -8.056 -1.991 -6.307) 10.423 17.781 ( -15.433 -2.378 18.365) 24.106 19.634 ( 4.305 0.739 7.036) 8.281 20.317 ( 17.141 4.123 -1.224) 17.673 20.676 ( 0.922 -7.405 -18.654) 20.091 21.656 ( -0.099 8.050 -0.785) 8.089 21.833 ( 1.807 1.864 1.665) 3.084 29.523 ( 6.793 1.553 -6.154) 9.296 30.197 ( 6.748 10.242 3.241) 12.686 31.623 ( -0.409 -2.769 1.916) 3.392 31.827 ( -6.080 4.804 0.456) 7.762 32.218 ( -0.854 -7.952 11.752) 14.215 32.892 ( 0.862 -6.313 -10.425) 12.218 35.713 ( 0.377 -2.796 2.194) 3.574 35.863 ( -2.339 -3.259 0.230) 4.018 36.492 ( 1.924 2.948 -0.226) 3.528 36.791 ( -0.355 5.547 -6.272) 8.381 51.241 ( 0.178 -2.596 7.091) 7.553 52.721 ( 9.817 5.810 1.651) 11.526 54.308 ( -3.678 4.279 1.016) 5.733 54.762 ( -11.688 0.104 -5.832) 13.062 55.482 ( -6.957 -9.676 3.269) 12.358 56.599 ( 9.245 2.812 2.459) 9.972 58.086 ( 6.813 1.570 5.497) 8.893 58.375 ( -4.130 2.115 -13.901) 14.655 59.728 ( -7.445 -2.500 2.293) 8.181 60.938 ( 2.492 -3.560 -1.292) 4.534 ======================= Grid point 561 (272/355) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( -37.504 0.000 -4.841) 37.815 4.616 ( -41.936 0.000 -12.316) 43.707 5.143 ( -5.127 0.000 -8.667) 10.070 5.787 ( -41.686 0.000 39.167) 57.200 6.419 ( -13.413 0.000 2.812) 13.705 8.658 ( -25.035 0.000 1.551) 25.083 9.144 ( 7.492 -0.000 -21.277) 22.558 9.957 ( 6.526 -0.000 0.449) 6.541 10.306 ( -11.993 0.000 -2.120) 12.179 10.466 ( -0.523 0.000 -1.998) 2.065 11.214 ( 6.452 -0.000 9.574) 11.545 12.543 ( -6.029 0.000 -5.642) 8.257 13.196 ( -10.669 0.000 -17.258) 20.289 14.041 ( -1.943 0.000 6.920) 7.187 16.676 ( -22.504 0.000 12.124) 25.562 17.177 ( 0.089 -0.000 -8.474) 8.475 17.895 ( -22.349 0.000 15.847) 27.398 19.292 ( 20.837 -0.000 22.611) 30.747 20.300 ( 6.956 -0.000 -4.704) 8.398 20.662 ( 1.997 -0.000 -30.023) 30.089 21.688 ( 12.514 -0.000 4.725) 13.376 21.897 ( -4.517 0.000 -0.763) 4.581 29.537 ( 3.007 -0.000 -11.188) 11.585 30.297 ( 7.906 -0.000 7.692) 11.031 31.512 ( 2.732 -0.000 -0.197) 2.739 31.831 ( 5.653 -0.000 8.957) 10.591 32.141 ( -12.914 0.000 7.641) 15.006 32.864 ( -3.801 0.000 -9.492) 10.225 35.655 ( -0.178 0.000 0.107) 0.208 35.828 ( -2.457 0.000 0.091) 2.458 36.493 ( 3.432 -0.000 2.033) 3.989 36.924 ( 3.959 -0.000 -5.353) 6.658 51.148 ( -2.029 0.000 7.389) 7.662 52.615 ( 12.972 -0.000 -2.727) 13.255 54.615 ( -8.135 0.000 -4.302) 9.203 55.050 ( -17.674 0.000 -7.663) 19.264 55.292 ( -7.411 0.000 8.858) 11.550 56.508 ( 6.422 -0.000 1.732) 6.652 57.994 ( 7.034 -0.000 4.106) 8.145 58.471 ( 2.853 -0.000 -5.919) 6.571 59.878 ( -10.936 0.000 -2.776) 11.283 60.781 ( 4.060 -0.000 -0.305) 4.072 ======================= Grid point 562 (273/355) ======================= q-point: (-0.17 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -40.609 8.010 3.228) 41.517 3.943 ( -42.345 -8.178 -8.176) 43.895 4.974 ( -9.262 1.887 -7.796) 12.253 5.458 ( -44.163 -7.614 37.870) 58.672 6.263 ( -12.475 0.077 5.920) 13.808 8.221 ( -36.930 -1.613 9.676) 38.211 9.183 ( 19.086 1.234 -26.536) 32.710 9.892 ( -0.834 13.226 -3.181) 13.629 10.236 ( -3.316 -9.116 0.413) 9.709 10.516 ( -4.275 -6.516 9.267) 12.108 11.419 ( 11.799 0.891 7.145) 13.822 12.343 ( -12.476 -5.829 -12.986) 18.928 13.053 ( 1.049 1.898 -6.980) 7.309 14.100 ( 2.233 -1.332 7.241) 7.694 16.486 ( -17.098 -3.835 11.938) 21.202 16.994 ( -13.832 0.724 -14.772) 20.250 17.762 ( -13.170 0.008 23.855) 27.249 19.643 ( 6.812 0.116 15.935) 17.331 20.403 ( 15.209 3.273 -6.567) 16.886 20.522 ( 3.210 -4.996 -25.848) 26.522 21.795 ( -4.864 3.070 0.318) 5.761 21.872 ( 7.630 1.068 3.310) 8.385 29.538 ( 7.494 0.096 -10.162) 12.627 30.445 ( 10.954 7.768 6.049) 14.728 31.554 ( 0.578 -2.623 0.931) 2.843 31.909 ( -3.084 1.734 0.319) 3.553 32.057 ( -6.544 -4.012 13.876) 15.857 32.765 ( -3.209 -3.336 -9.049) 10.164 35.666 ( -0.069 -1.023 1.929) 2.184 35.800 ( -2.542 -1.588 -0.100) 2.999 36.544 ( 2.637 1.206 1.192) 3.135 36.898 ( 0.943 2.645 -8.963) 9.392 51.196 ( -0.076 -1.037 8.873) 8.934 52.822 ( 16.981 2.285 1.967) 17.246 54.443 ( -6.535 5.318 -2.328) 8.741 54.760 ( -15.166 -0.534 -6.649) 16.568 55.281 ( -7.278 -5.689 7.659) 12.000 56.642 ( 9.598 0.817 4.621) 10.684 58.113 ( 6.215 0.651 4.087) 7.467 58.409 ( -2.248 0.676 -14.467) 14.657 59.694 ( -12.034 -0.507 0.333) 12.050 60.853 ( 3.772 -2.546 -0.757) 4.613 ======================= Grid point 563 (274/355) ======================= q-point: (-0.08 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -32.272 -0.361 14.481) 35.374 3.520 ( -34.825 -16.034 6.757) 38.930 4.756 ( -9.154 -0.326 -5.811) 10.847 5.231 ( -42.688 -16.818 38.393) 59.826 6.134 ( -13.164 -1.362 7.912) 15.419 7.842 ( -32.072 -7.927 13.689) 35.761 9.261 ( 22.776 4.684 -30.857) 38.637 9.757 ( -1.903 3.852 3.626) 5.621 10.280 ( -2.859 -6.150 -4.610) 8.200 10.560 ( -7.972 -1.713 11.094) 13.768 11.554 ( 5.409 7.309 3.803) 9.856 12.279 ( -0.947 -14.503 -6.007) 15.727 13.020 ( 2.702 2.461 -5.055) 6.237 14.247 ( 7.079 -2.555 9.168) 11.861 16.425 ( -12.882 -5.465 3.464) 14.416 16.618 ( -20.894 -8.147 -13.969) 26.421 17.851 ( 0.259 1.819 31.963) 32.016 19.718 ( -1.135 2.942 4.381) 5.398 20.437 ( 2.724 -8.848 -23.807) 25.544 20.656 ( 18.776 3.183 3.325) 19.332 21.655 ( -7.721 4.658 -0.060) 9.018 21.954 ( 4.846 4.537 2.375) 7.050 29.616 ( 11.655 -0.120 -7.972) 14.121 30.494 ( 9.710 14.553 3.306) 17.805 31.589 ( -2.370 -2.205 2.339) 3.994 31.760 ( -9.368 3.531 -0.843) 10.047 32.189 ( -1.151 -8.291 11.500) 14.224 32.741 ( 0.491 -8.257 -10.682) 13.510 35.703 ( -0.079 -2.050 2.738) 3.421 35.796 ( -1.652 -3.182 0.510) 3.621 36.538 ( -0.334 4.014 -2.008) 4.500 36.770 ( -3.224 3.421 -9.541) 10.637 51.292 ( 1.914 -1.445 10.290) 10.565 53.027 ( 15.950 11.097 3.308) 19.710 54.316 ( -2.301 3.015 1.144) 3.961 54.555 ( -8.687 -3.310 -3.541) 9.948 55.304 ( -7.274 -7.691 5.123) 11.760 56.827 ( 13.359 2.914 5.120) 14.600 58.177 ( -10.015 1.070 -21.044) 23.330 58.223 ( 5.581 0.544 4.717) 7.327 59.582 ( -9.427 -4.475 5.460) 11.777 60.926 ( 2.368 -2.835 -1.573) 4.015 ======================= Grid point 574 (275/355) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -39.081 0.000 13.510) 41.350 3.244 ( -40.416 0.000 6.878) 40.997 4.762 ( -16.072 0.000 -2.390) 16.249 5.014 ( -43.960 0.000 37.970) 58.088 6.117 ( -13.708 0.000 6.886) 15.341 7.745 ( -36.240 0.000 14.821) 39.153 9.314 ( 22.993 -0.000 -27.872) 36.132 9.959 ( -10.785 0.000 2.598) 11.094 9.993 ( -0.249 0.000 -10.897) 10.900 10.614 ( 2.453 -0.000 17.270) 17.443 11.691 ( 14.830 -0.000 9.549) 17.638 12.037 ( -9.828 0.000 -12.624) 15.999 13.045 ( 1.273 -0.000 -5.101) 5.257 14.218 ( 7.213 -0.000 9.860) 12.217 16.305 ( -14.397 0.000 11.259) 18.277 16.563 ( -26.401 0.000 -21.200) 33.859 17.877 ( 1.323 -0.000 33.676) 33.702 19.761 ( -2.714 0.000 9.863) 10.230 20.318 ( 4.169 -0.000 -30.687) 30.969 20.693 ( 18.996 -0.000 2.982) 19.229 21.710 ( -8.386 0.000 1.671) 8.551 22.014 ( 6.134 -0.000 2.172) 6.507 29.612 ( 11.877 -0.000 -9.314) 15.093 30.725 ( 14.378 -0.000 2.750) 14.638 31.532 ( -1.993 0.000 1.609) 2.561 31.806 ( -9.488 0.000 -1.362) 9.585 32.075 ( -2.692 0.000 13.441) 13.708 32.628 ( -3.779 0.000 -8.661) 9.449 35.677 ( -0.061 0.000 3.507) 3.508 35.755 ( -1.991 0.000 -0.295) 2.013 36.589 ( 1.440 -0.000 0.410) 1.498 36.816 ( -3.999 0.000 -13.806) 14.373 51.273 ( 1.745 -0.000 11.710) 11.839 53.173 ( 24.796 -0.000 3.686) 25.068 54.377 ( -4.505 0.000 -1.028) 4.621 54.513 ( -11.928 0.000 -5.284) 13.046 55.192 ( -7.793 0.000 8.430) 11.480 56.860 ( 13.680 -0.000 6.741) 15.250 58.191 ( -10.510 0.000 -23.744) 25.966 58.229 ( 5.259 -0.000 4.473) 6.903 59.525 ( -12.167 0.000 6.420) 13.757 60.883 ( 3.145 -0.000 -1.321) 3.411 ======================= Grid point 575 (276/355) ======================= q-point: (-0.08 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -29.372 -0.576 25.552) 38.935 2.950 ( -29.850 -15.876 25.856) 42.563 4.542 ( -16.072 -3.152 8.265) 18.346 4.752 ( -34.938 -10.016 39.736) 53.851 5.963 ( -14.422 -1.072 6.056) 15.678 7.412 ( -28.863 -5.926 17.601) 34.322 9.434 ( 23.151 3.155 -32.969) 40.409 9.794 ( -2.718 4.299 4.412) 6.733 10.006 ( -7.276 -12.069 -4.754) 14.872 10.665 ( -2.100 9.060 7.691) 12.068 11.735 ( -0.070 12.346 -0.976) 12.385 12.126 ( 8.144 -16.602 3.522) 18.824 13.021 ( 0.542 0.005 -4.972) 5.001 14.442 ( 11.291 -0.580 11.599) 16.197 15.990 ( -28.500 -1.516 -23.385) 36.897 16.256 ( -9.634 -10.296 7.334) 15.894 18.281 ( 20.817 3.096 41.250) 46.308 19.728 ( -5.595 1.735 4.071) 7.134 20.223 ( 4.217 -5.404 -23.596) 24.571 20.983 ( 17.039 1.233 5.573) 17.970 21.576 ( -9.734 2.666 2.013) 10.292 22.068 ( 2.194 3.119 0.951) 3.930 29.758 ( 15.534 -0.401 -7.163) 17.111 30.837 ( 10.935 13.934 -0.811) 17.731 31.526 ( -4.345 -3.183 2.255) 5.840 31.641 ( -9.692 2.282 -2.072) 10.170 32.140 ( -4.474 -5.422 9.792) 12.055 32.567 ( -0.608 -8.053 -10.333) 13.114 35.705 ( -0.410 -0.045 3.010) 3.038 35.752 ( -0.250 -3.009 1.562) 3.399 36.532 ( -6.800 6.390 -8.541) 12.650 36.642 ( -4.553 -2.535 -7.073) 8.785 51.406 ( 3.532 -0.398 14.437) 14.868 53.466 ( 20.100 14.386 -3.973) 25.035 54.316 ( -3.879 2.048 -1.372) 4.596 54.425 ( 3.344 -6.698 3.885) 8.434 55.163 ( -7.563 -4.289 6.870) 11.081 57.035 ( 2.942 0.551 -9.378) 9.844 57.874 ( -5.570 -0.167 -12.003) 13.234 58.333 ( 4.196 -0.050 5.470) 6.894 59.464 ( -7.523 -3.355 12.675) 15.117 60.916 ( 1.515 -1.391 -2.443) 3.194 ======================= Grid point 587 (277/355) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -23.572 0.000 33.685) 41.113 2.710 ( -21.162 0.000 39.204) 44.551 4.464 ( -3.100 0.000 17.625) 17.895 4.551 ( -23.491 0.000 49.574) 54.858 5.780 ( -13.929 0.000 2.803) 14.208 7.130 ( -22.396 0.000 20.443) 30.323 9.498 ( 13.934 -0.000 -32.997) 35.818 9.766 ( -6.134 0.000 -7.087) 9.373 9.905 ( 4.403 -0.000 9.023) 10.040 10.684 ( -7.077 0.000 -0.503) 7.095 11.793 ( 1.700 -0.000 -3.789) 4.153 12.186 ( 5.357 -0.000 8.187) 9.784 12.986 ( -0.327 0.000 -4.146) 4.159 14.594 ( -3.956 0.000 -1.155) 4.122 15.501 ( -9.232 0.000 -15.432) 17.983 16.107 ( -8.594 0.000 6.795) 10.956 19.068 ( 42.487 -0.000 32.166) 53.290 19.652 ( -8.971 0.000 3.123) 9.499 20.165 ( 12.779 -0.000 -12.705) 18.020 21.241 ( 10.065 -0.000 6.924) 12.216 21.468 ( -8.401 0.000 2.613) 8.798 22.095 ( -1.461 0.000 -0.311) 1.494 29.961 ( 18.273 -0.000 -4.832) 18.902 31.058 ( 8.184 -0.000 -6.296) 10.325 31.429 ( -7.734 0.000 3.399) 8.448 31.501 ( -9.257 0.000 -4.361) 10.233 32.065 ( -9.133 0.000 6.543) 11.235 32.421 ( -1.058 0.000 -9.415) 9.474 35.725 ( 0.564 -0.000 -0.401) 0.692 35.750 ( 0.069 -0.000 6.135) 6.136 36.303 ( -15.059 0.000 -10.288) 18.238 36.574 ( -1.507 0.000 -2.359) 2.799 51.582 ( 4.858 -0.000 18.515) 19.142 53.722 ( 8.657 -0.000 -16.730) 18.837 54.242 ( -2.449 0.000 -2.131) 3.246 54.638 ( 23.020 -0.000 6.766) 23.994 55.079 ( -7.466 0.000 7.657) 10.695 56.529 ( -40.865 0.000 -32.318) 52.100 58.121 ( 29.725 -0.000 8.938) 31.040 58.419 ( 2.062 -0.000 6.257) 6.588 59.491 ( -0.016 0.000 19.093) 19.093 60.898 ( -0.073 0.000 -3.817) 3.818 ======================= Grid point 588 (278/355) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 10.813 -0.000 24.296) 26.594 3.173 ( -8.388 0.000 3.944) 9.269 4.992 ( 4.109 -0.000 -2.641) 4.884 5.023 ( 3.939 -0.000 -7.592) 8.553 6.608 ( -4.225 0.000 56.241) 56.400 7.344 ( -2.805 0.000 -9.543) 9.947 8.984 ( 20.001 -0.000 -7.272) 21.282 9.128 ( -15.979 0.000 -14.529) 21.597 10.355 ( 6.178 -0.000 6.186) 8.743 10.435 ( -6.566 0.000 -1.357) 6.705 12.130 ( 15.738 -0.000 3.166) 16.054 12.166 ( -13.137 0.000 -0.461) 13.145 13.037 ( 7.884 -0.000 7.721) 11.035 13.308 ( -15.285 0.000 -18.688) 24.143 15.883 ( 15.432 -0.000 2.773) 15.679 15.928 ( -11.441 0.000 -1.466) 11.535 19.450 ( -11.052 0.000 4.947) 12.108 19.565 ( 7.173 -0.000 -6.195) 9.478 21.096 ( -24.192 0.000 5.009) 24.705 21.228 ( 34.526 -0.000 -7.835) 35.403 21.796 ( 8.518 -0.000 4.704) 9.731 21.879 ( -8.476 0.000 -3.534) 9.183 30.543 ( 20.461 -0.000 3.850) 20.820 30.642 ( -22.293 0.000 -5.693) 23.009 31.233 ( -10.590 0.000 2.073) 10.791 31.270 ( 8.588 -0.000 -1.848) 8.785 31.998 ( -7.522 0.000 8.013) 10.991 32.168 ( 6.350 -0.000 -8.762) 10.820 35.760 ( -5.937 0.000 2.019) 6.271 35.787 ( 5.215 -0.000 -0.694) 5.261 36.228 ( 5.247 -0.000 5.295) 7.454 36.339 ( -4.292 0.000 -5.620) 7.072 52.533 ( 4.464 -0.000 25.466) 25.855 53.028 ( -5.583 0.000 -23.328) 23.987 54.478 ( 13.854 -0.000 8.609) 16.311 54.676 ( -25.221 0.000 -10.152) 27.187 55.082 ( -6.873 0.000 4.661) 8.305 55.180 ( 13.478 -0.000 -5.595) 14.593 58.594 ( -7.270 0.000 6.139) 9.516 58.713 ( 8.896 -0.000 -5.427) 10.421 60.364 ( 12.610 -0.000 10.747) 16.569 60.573 ( -7.203 0.000 -9.835) 12.191 ======================= Grid point 589 (279/355) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 1.357 -2.302 -0.474) 2.714 3.540 ( 27.478 -26.777 6.761) 38.958 4.970 ( -1.851 0.897 -9.323) 9.547 4.999 ( 0.958 -0.103 -4.705) 4.803 6.998 ( 2.026 -1.535 49.477) 49.542 7.296 ( 9.139 -6.740 -25.280) 27.713 8.797 ( -16.499 -3.838 -17.034) 24.023 9.276 ( 16.441 -4.726 3.133) 17.391 10.322 ( -4.536 2.948 -1.643) 5.654 10.478 ( 7.047 1.688 3.644) 8.111 11.938 ( -13.933 1.433 -2.763) 14.276 12.334 ( 12.353 3.541 -0.105) 12.851 13.087 ( -7.138 -5.718 -10.748) 14.113 13.348 ( 18.906 -5.296 18.229) 26.792 15.773 ( -11.967 -6.638 -5.370) 14.701 16.142 ( 14.593 -4.711 -0.035) 15.334 19.333 ( -12.941 -2.232 7.425) 15.086 19.636 ( 4.991 -1.972 -2.013) 5.732 20.687 ( -26.718 7.274 -1.714) 27.743 21.513 ( 23.141 11.912 -10.037) 27.895 21.698 ( -10.225 1.521 -4.982) 11.475 21.934 ( 6.488 -0.171 2.588) 6.987 30.250 ( -24.484 1.301 -2.724) 24.670 30.802 ( 9.179 3.234 3.480) 10.335 31.115 ( -2.450 2.041 4.374) 5.413 31.384 ( 9.374 1.606 -0.719) 9.538 32.013 ( -3.879 -5.966 9.279) 11.694 32.266 ( 9.013 -6.262 -8.031) 13.600 35.708 ( -2.942 -0.168 1.592) 3.349 35.869 ( 7.012 1.170 -0.057) 7.109 36.242 ( -3.803 -0.602 -5.741) 6.913 36.354 ( 5.971 -1.329 4.092) 7.360 52.654 ( -7.458 10.907 3.301) 13.619 52.741 ( -2.548 3.951 -0.560) 4.735 54.363 ( -14.337 -3.622 -2.502) 14.997 54.770 ( 2.313 -10.172 9.813) 14.322 55.108 ( 10.385 1.540 4.143) 11.287 55.381 ( 14.229 -8.311 -6.443) 17.694 58.460 ( -14.034 2.688 3.564) 14.727 58.744 ( 2.591 1.070 -6.120) 6.731 60.366 ( -7.476 3.098 -11.734) 14.254 60.588 ( 9.880 0.060 5.474) 11.296 ======================= Grid point 590 (280/355) ======================= q-point: ( 0.17 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 4.055 -4.893 -6.704) 9.237 4.366 ( 29.893 -33.872 -15.629) 47.803 4.879 ( 2.065 -1.180 0.328) 2.401 4.988 ( -1.518 -3.658 -4.693) 6.141 7.248 ( 7.321 -0.895 3.391) 8.117 7.501 ( 10.017 -8.698 8.219) 15.606 8.526 ( -11.294 -6.499 -17.990) 22.214 9.573 ( 9.559 -7.149 4.087) 12.617 10.220 ( -1.888 3.788 -1.534) 4.502 10.578 ( 8.693 2.633 0.356) 9.090 11.715 ( -10.020 2.075 -3.027) 10.671 12.425 ( 5.954 1.857 -0.568) 6.263 13.022 ( -5.744 -6.510 -6.096) 10.608 13.941 ( 28.733 -7.531 24.982) 38.813 15.659 ( -11.521 -11.938 -9.769) 19.253 16.416 ( 13.449 -7.375 -1.406) 15.403 19.218 ( -15.514 -3.767 7.963) 17.841 19.720 ( 2.105 -1.562 0.950) 2.788 20.178 ( -21.394 8.607 -6.844) 24.055 21.416 ( -11.364 7.252 -2.776) 13.764 21.597 ( 13.592 12.733 -9.874) 21.080 22.008 ( 4.184 2.305 -0.710) 4.830 29.887 ( -22.035 0.223 0.006) 22.036 30.708 ( -8.088 9.167 1.229) 12.287 31.247 ( 12.044 0.555 5.876) 13.412 31.496 ( 8.022 0.533 -0.083) 8.040 32.132 ( -1.916 -8.068 10.934) 13.723 32.440 ( 9.542 -8.303 -7.622) 14.768 35.698 ( -0.214 -0.492 0.963) 1.103 35.954 ( 6.814 2.292 0.514) 7.208 36.171 ( -2.201 -1.068 -4.069) 4.747 36.481 ( 5.512 -1.853 2.216) 6.223 52.281 ( -10.830 11.228 -13.059) 20.344 52.739 ( -2.227 8.939 15.372) 17.921 54.266 ( -6.076 -4.506 0.232) 7.568 54.849 ( -11.411 -13.688 0.377) 17.825 55.342 ( 17.307 1.983 -2.142) 17.551 55.784 ( 20.850 -12.993 11.497) 27.124 58.169 ( -19.052 6.038 -1.074) 20.015 58.697 ( -1.148 0.724 -6.560) 6.699 60.140 ( -5.284 4.184 -11.629) 13.441 60.741 ( 6.710 -0.766 3.147) 7.451 ======================= Grid point 591 (281/355) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 4.277 -6.143 -8.725) 11.496 4.589 ( 5.539 -7.693 -30.087) 31.545 4.954 ( -5.062 -5.412 -7.072) 10.243 5.440 ( 27.451 -28.184 8.311) 40.211 7.385 ( 5.712 -1.657 2.568) 6.478 7.719 ( 0.373 -3.963 5.753) 6.996 8.419 ( 3.759 -7.772 -17.593) 19.597 9.760 ( 2.762 -5.785 1.818) 6.663 10.168 ( 1.596 4.243 1.345) 4.728 10.689 ( 10.578 0.272 -3.542) 11.159 11.567 ( -4.175 2.819 -1.401) 5.229 12.477 ( 0.139 -3.904 0.056) 3.906 12.957 ( -7.813 -4.447 -3.436) 9.624 14.589 ( 23.020 -4.614 17.197) 29.103 15.626 ( -2.711 -14.757 -6.534) 16.365 16.680 ( 10.975 -7.580 -0.903) 13.369 19.046 ( -18.979 -2.991 0.164) 19.214 19.590 ( -5.430 11.005 -5.308) 13.370 20.007 ( -3.364 -7.733 7.383) 11.208 21.113 ( -14.807 5.637 -4.850) 16.569 21.557 ( 11.406 14.870 -6.335) 19.782 21.995 ( 1.551 4.664 -2.363) 5.454 29.611 ( -17.609 -1.484 1.993) 17.784 30.464 ( -8.766 10.631 0.379) 13.784 31.449 ( 11.310 0.866 4.220) 12.103 31.600 ( 5.925 -0.473 0.189) 5.947 32.277 ( -2.095 -7.114 12.006) 14.111 32.617 ( 8.368 -7.731 -7.732) 13.768 35.723 ( 1.741 -0.603 0.546) 1.922 36.003 ( 2.586 0.833 -1.338) 3.029 36.162 ( 2.239 0.426 0.620) 2.362 36.582 ( 4.085 -1.346 0.519) 4.332 51.932 ( -8.865 9.561 -9.614) 16.199 52.676 ( -3.182 9.128 10.356) 14.166 54.262 ( -2.066 -2.911 1.207) 3.769 54.836 ( -10.060 -12.892 -3.340) 16.690 55.522 ( 12.147 -2.503 -7.150) 14.315 56.331 ( 17.396 -8.084 19.042) 27.029 57.801 ( -15.934 6.393 -3.160) 17.458 58.608 ( -3.651 0.122 -7.168) 8.045 59.973 ( -1.912 3.042 -8.126) 8.885 60.851 ( 4.031 -1.728 1.661) 4.690 ======================= Grid point 592 (282/355) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 4.019 -6.353 -6.806) 10.141 4.569 ( 5.243 -7.225 -22.842) 24.525 4.860 ( -5.689 -3.796 -12.397) 14.159 6.142 ( 19.606 -22.411 1.441) 29.812 7.396 ( -22.448 5.573 37.633) 44.173 7.777 ( 16.684 -7.317 -33.127) 37.806 8.552 ( 12.400 -6.281 -9.311) 16.730 9.844 ( 0.798 -4.113 -0.404) 4.209 10.182 ( 4.946 4.856 5.049) 8.576 10.816 ( 8.911 -0.842 -4.943) 10.224 11.502 ( 0.204 2.209 -0.508) 2.275 12.531 ( -3.959 -9.906 0.564) 10.683 12.859 ( -8.245 -2.323 -1.590) 8.713 14.774 ( -2.603 0.807 -8.734) 9.150 15.972 ( 20.376 -13.632 12.607) 27.567 16.888 ( 6.300 -5.395 1.464) 8.423 18.747 ( -15.855 0.867 -11.534) 19.626 19.452 ( 0.887 5.166 2.437) 5.781 20.132 ( -4.656 -6.264 13.554) 15.641 20.822 ( -11.941 0.339 -7.896) 14.319 21.496 ( 8.614 13.843 -3.730) 16.726 21.925 ( -0.033 5.092 -3.029) 5.925 29.438 ( -12.241 -3.051 3.278) 13.034 30.225 ( -6.665 9.636 -0.835) 11.747 31.607 ( 8.295 0.883 2.681) 8.762 31.679 ( 3.931 -0.427 0.122) 3.956 32.395 ( -2.866 -4.790 11.498) 12.782 32.755 ( 6.753 -5.933 -7.919) 11.980 35.764 ( 2.449 -0.193 0.361) 2.483 36.007 ( -0.229 -1.184 -1.892) 2.244 36.219 ( 4.536 1.466 3.342) 5.822 36.635 ( 2.045 -0.256 -0.826) 2.220 51.665 ( -6.416 7.212 -6.137) 11.438 52.589 ( -2.862 6.720 5.626) 9.220 54.275 ( -0.754 -1.057 1.256) 1.806 54.823 ( -7.201 -10.712 -4.725) 13.745 55.670 ( 9.128 -4.427 -6.812) 12.220 56.614 ( 0.357 2.270 9.120) 9.405 57.633 ( 0.313 0.250 5.814) 5.827 58.493 ( -5.071 -0.536 -7.730) 9.260 59.898 ( 0.464 1.292 -3.770) 4.012 60.923 ( 1.973 -1.792 0.538) 2.719 ======================= Grid point 593 (283/355) ======================= q-point: ( 0.42 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 2.707 -3.058 -2.339) 4.706 4.561 ( -1.983 -5.129 -11.296) 12.563 4.743 ( 0.559 -2.896 -18.603) 18.835 6.509 ( 5.900 -9.189 -5.548) 12.249 7.219 ( -27.960 7.657 50.287) 58.045 7.918 ( 22.206 -9.268 -40.495) 47.104 8.719 ( 7.224 -2.441 -2.611) 8.060 9.874 ( 0.573 -0.041 -1.279) 1.402 10.284 ( 7.747 0.160 5.929) 9.757 10.853 ( 2.023 3.637 -3.882) 5.691 11.513 ( 2.402 -0.957 -0.671) 2.671 12.609 ( -3.772 -11.184 1.164) 11.860 12.765 ( -5.906 -1.459 -0.922) 6.153 14.561 ( -7.412 4.210 -13.092) 15.622 16.508 ( 18.674 -7.707 11.046) 23.024 17.022 ( 2.703 -2.849 6.960) 7.991 18.444 ( -11.336 2.320 -12.284) 16.876 19.481 ( 4.424 1.335 2.970) 5.493 20.137 ( -9.011 1.843 10.638) 14.062 20.713 ( -3.402 -8.520 -5.949) 10.934 21.432 ( 5.521 10.329 -2.331) 11.942 21.847 ( -0.486 3.464 -2.658) 4.394 29.367 ( -6.340 -3.723 3.296) 8.057 30.043 ( -3.310 6.548 -1.753) 7.543 31.704 ( 2.514 -1.255 1.808) 3.341 31.726 ( 3.415 1.529 -0.036) 3.741 32.468 ( -2.375 -2.032 9.414) 9.920 32.843 ( 4.982 -3.188 -7.555) 9.594 35.797 ( 1.840 0.482 0.274) 1.922 36.005 ( -0.594 -0.934 -0.605) 1.261 36.295 ( 3.940 0.151 2.903) 4.897 36.639 ( 0.116 0.284 -1.807) 1.833 51.488 ( -3.803 4.710 -2.700) 6.628 52.522 ( -1.721 3.094 2.289) 4.216 54.281 ( -0.417 -0.062 1.042) 1.124 54.811 ( -4.486 -6.700 -4.332) 9.153 55.792 ( 5.720 -3.635 -4.619) 8.202 56.509 ( -6.582 5.910 0.608) 8.867 57.808 ( 8.643 -2.192 11.816) 14.803 58.369 ( -5.621 -1.147 -8.255) 10.053 59.889 ( 1.078 0.469 -0.509) 1.281 60.960 ( 0.653 -1.127 -0.231) 1.323 ======================= Grid point 594 (284/355) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -1.617 5.183 3.159) 6.282 4.502 ( -2.861 -2.123 -3.096) 4.720 4.654 ( -1.392 0.206 -15.000) 15.066 6.521 ( -3.122 0.521 -2.019) 3.754 7.120 ( -23.940 7.261 50.270) 56.151 8.058 ( 21.339 -8.374 -41.449) 47.365 8.758 ( -2.470 2.165 2.345) 4.036 9.859 ( 0.730 2.365 0.034) 2.475 10.418 ( 1.303 -0.965 3.202) 3.590 10.785 ( -0.113 2.110 -1.774) 2.759 11.543 ( 0.349 0.482 -0.701) 0.920 12.678 ( -1.159 -3.964 0.332) 4.144 12.722 ( -1.287 -2.007 -1.323) 2.727 14.363 ( -2.369 3.789 -5.222) 6.873 16.745 ( 1.130 -0.994 1.591) 2.190 17.167 ( 4.420 0.108 9.103) 10.120 18.202 ( -8.502 3.032 -3.367) 9.634 19.547 ( 2.432 -0.476 -0.115) 2.480 20.092 ( 1.082 -0.260 4.169) 4.315 20.744 ( -0.275 -2.527 -3.506) 4.330 21.394 ( 1.410 1.464 -1.532) 2.545 21.801 ( -0.399 0.772 -1.033) 1.350 29.376 ( -0.176 -2.445 1.192) 2.726 29.963 ( 0.554 1.129 -1.325) 1.827 31.736 ( -3.157 -3.713 0.720) 4.927 31.742 ( 1.859 2.942 0.758) 3.562 32.512 ( -0.147 0.829 6.864) 6.915 32.867 ( 2.908 0.311 -7.178) 7.751 35.808 ( 0.641 0.882 0.240) 1.116 35.998 ( -0.687 0.855 0.830) 1.376 36.358 ( 1.686 -1.236 0.260) 2.106 36.621 ( -0.633 -0.734 -1.693) 1.951 51.404 ( -1.130 2.355 0.818) 2.738 52.506 ( -0.013 -1.290 0.351) 1.337 54.283 ( -0.077 0.108 0.837) 0.847 54.788 ( -2.049 -1.227 -2.250) 3.281 55.827 ( -0.946 1.521 -1.069) 2.086 56.411 ( 0.356 0.171 -0.435) 0.588 58.024 ( 7.390 -0.947 9.161) 11.808 58.240 ( -5.905 -1.238 -8.930) 10.777 59.891 ( -0.161 1.186 1.007) 1.564 60.970 ( 0.120 -0.274 -0.533) 0.611 ======================= Grid point 595 (285/355) ======================= q-point: (-0.42 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -5.728 13.540 8.978) 17.226 4.395 ( -13.853 7.371 6.283) 16.902 4.590 ( 7.530 -1.079 -6.129) 9.769 6.424 ( -6.120 7.439 2.110) 9.861 6.993 ( -27.343 8.886 49.555) 57.291 8.179 ( 22.997 -7.646 -42.845) 49.225 8.624 ( -12.392 7.009 6.676) 15.724 9.853 ( 1.448 2.465 1.463) 3.211 10.353 ( -7.745 0.789 -0.329) 7.792 10.804 ( -0.795 -2.050 0.407) 2.236 11.497 ( -2.686 2.371 0.556) 3.626 12.648 ( 1.895 7.530 -2.005) 8.019 12.769 ( 3.620 -3.235 -1.399) 5.053 14.357 ( 4.679 0.812 5.876) 7.555 16.652 ( -12.331 1.798 -3.163) 12.857 17.144 ( -2.812 9.216 -3.377) 10.210 18.148 ( -0.910 -0.004 15.267) 15.294 19.556 ( -0.174 -1.957 -3.961) 4.421 20.260 ( 13.369 -5.211 -0.167) 14.350 20.675 ( 0.644 9.351 -3.677) 10.069 21.417 ( -3.658 -8.592 -0.896) 9.381 21.808 ( 0.286 -2.235 1.165) 2.537 29.427 ( 5.922 0.308 -2.294) 6.358 30.021 ( 4.178 -5.669 0.232) 7.046 31.713 ( -3.309 0.926 0.867) 3.544 31.721 ( -4.975 -3.129 0.487) 5.897 32.540 ( 1.996 3.649 4.726) 6.295 32.819 ( 0.993 3.919 -7.460) 8.485 35.798 ( -0.676 0.979 0.137) 1.197 35.976 ( -0.472 2.995 2.111) 3.695 36.364 ( -2.104 -2.356 -3.592) 4.783 36.625 ( -0.299 -2.066 -0.622) 2.178 51.409 ( 1.432 0.257 4.621) 4.845 52.563 ( 1.942 -6.427 -1.204) 6.821 54.288 ( 0.181 -0.085 0.439) 0.483 54.753 ( 1.106 4.761 1.001) 4.989 55.723 ( -6.559 5.824 2.203) 9.044 56.512 ( 7.813 -5.696 0.033) 9.669 58.054 ( -6.937 -0.418 -11.762) 13.662 58.210 ( 5.326 0.023 7.069) 8.851 59.862 ( -2.092 2.707 2.055) 3.991 60.965 ( -0.109 0.470 -0.707) 0.856 ======================= Grid point 596 (286/355) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -6.326 17.171 15.454) 23.952 4.131 ( -15.953 11.400 18.702) 27.097 4.717 ( 10.901 2.175 1.229) 11.184 6.103 ( -18.392 20.721 3.764) 27.961 6.826 ( -28.356 7.146 47.329) 55.635 8.340 ( -6.665 0.782 -8.091) 10.512 8.343 ( 14.316 1.999 -22.505) 26.747 9.848 ( 1.712 3.653 0.436) 4.058 10.252 ( -6.550 -2.733 -1.578) 7.271 10.734 ( -9.217 2.189 2.434) 9.781 11.471 ( -2.101 -3.008 2.302) 4.331 12.564 ( 6.014 12.681 -2.025) 14.181 12.859 ( 4.716 -2.529 -1.686) 5.611 14.525 ( 8.823 0.764 12.717) 15.496 16.274 ( -23.320 6.809 -14.153) 28.115 16.916 ( -5.130 13.313 -1.860) 14.388 18.365 ( 7.813 -3.794 24.791) 26.269 19.559 ( 1.682 -3.293 -6.401) 7.393 20.387 ( 1.548 7.510 -12.058) 14.290 20.678 ( 16.053 0.049 6.195) 17.207 21.453 ( -8.449 -11.890 0.279) 14.589 21.876 ( 1.023 -5.093 2.032) 5.578 29.516 ( 11.525 1.790 -4.312) 12.435 30.209 ( 6.949 -10.797 0.775) 12.863 31.636 ( -8.733 -2.318 -0.005) 9.035 31.674 ( -5.237 -0.819 0.534) 5.328 32.539 ( 1.305 6.162 3.814) 7.364 32.704 ( 0.377 7.049 -9.118) 11.532 35.768 ( -1.756 0.948 -0.083) 1.997 35.949 ( 0.383 4.262 3.385) 5.456 36.314 ( -5.283 -4.019 -5.687) 8.741 36.634 ( -1.226 -1.389 -0.834) 2.032 51.503 ( 3.732 -1.632 8.926) 9.812 52.698 ( 3.577 -12.128 -3.983) 13.257 54.292 ( 0.071 0.085 -0.286) 0.307 54.732 ( 5.913 9.883 4.054) 12.210 55.557 ( -8.917 6.056 4.231) 11.579 56.725 ( 9.148 -6.757 -2.042) 11.555 57.832 ( -8.287 1.303 -13.456) 15.857 58.341 ( 5.300 0.035 7.210) 8.949 59.808 ( -2.775 3.472 4.842) 6.573 60.943 ( -0.780 1.011 -1.366) 1.870 ======================= Grid point 597 (287/355) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -5.363 16.836 21.325) 27.694 3.949 ( -13.108 13.511 31.514) 36.708 4.839 ( 9.065 6.817 5.268) 12.506 5.512 ( -23.981 23.967 1.599) 33.942 6.638 ( -28.505 8.044 44.958) 53.838 7.999 ( -20.845 11.616 15.780) 28.609 8.550 ( 27.631 -5.850 -39.927) 48.907 9.820 ( 1.082 4.029 -2.566) 4.898 10.172 ( -5.000 1.664 -0.158) 5.272 10.602 ( -10.933 -3.321 5.238) 12.569 11.527 ( -0.359 -6.344 2.454) 6.812 12.498 ( 5.205 10.606 -1.435) 11.901 12.930 ( 4.029 0.258 -0.855) 4.127 14.689 ( 1.529 2.168 6.575) 7.090 15.716 ( -18.102 11.251 -14.674) 25.876 16.658 ( -7.882 13.685 0.991) 15.823 18.802 ( 19.272 -6.763 23.975) 31.495 19.601 ( 3.190 -4.830 -4.946) 7.614 20.168 ( -0.752 12.277 -9.395) 15.477 21.022 ( 18.505 -4.508 4.518) 19.574 21.456 ( -12.026 -11.995 2.959) 17.241 21.966 ( 0.096 -5.922 1.026) 6.011 29.670 ( 16.350 1.511 -3.963) 16.891 30.471 ( 8.210 -13.156 -0.087) 15.508 31.515 ( -11.168 -3.044 -2.060) 11.757 31.595 ( -6.907 -0.317 0.644) 6.945 32.467 ( -5.006 7.660 5.869) 10.871 32.548 ( 3.146 9.822 -13.319) 16.846 35.730 ( -1.602 0.687 -0.195) 1.754 35.935 ( 0.670 4.009 4.400) 5.990 36.231 ( -7.305 -4.175 -5.531) 10.069 36.603 ( -2.753 0.164 -1.667) 3.223 51.680 ( 5.719 -3.323 13.724) 15.234 52.887 ( 4.039 -17.055 -8.995) 19.700 54.282 ( 0.542 1.611 -0.803) 1.880 54.756 ( 11.425 12.230 4.848) 17.425 55.387 ( -10.377 4.135 5.592) 12.492 56.725 ( -10.300 2.499 -18.336) 21.179 57.759 ( 9.391 -3.790 -0.093) 10.128 58.461 ( 4.097 -0.187 7.104) 8.202 59.788 ( -1.083 2.615 9.763) 10.165 60.897 ( -2.073 1.039 -2.659) 3.528 ======================= Grid point 598 (288/355) ======================= q-point: (-0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -3.933 15.721 25.205) 29.965 3.778 ( -18.533 21.160 35.787) 45.519 4.844 ( -4.482 7.200 9.752) 12.924 5.065 ( 0.773 9.979 -7.931) 12.770 6.457 ( -25.392 8.502 48.053) 55.011 7.700 ( -17.870 9.698 17.236) 26.654 8.705 ( 24.216 -1.195 -36.603) 43.904 9.702 ( -5.089 6.134 -7.501) 10.945 10.126 ( -0.257 1.021 7.107) 7.185 10.562 ( -8.516 -7.466 2.161) 11.529 11.651 ( 4.775 -6.293 3.172) 8.512 12.430 ( -0.253 6.103 -0.667) 6.144 12.955 ( 2.495 3.017 0.544) 3.953 14.417 ( -24.933 5.278 -19.418) 32.040 15.495 ( 9.289 9.304 4.326) 13.841 16.383 ( -9.681 11.736 1.734) 15.312 19.302 ( 20.407 -2.656 4.062) 20.976 19.690 ( -1.735 -2.973 3.032) 4.587 20.087 ( 16.410 0.766 -0.280) 16.431 21.351 ( 15.566 -2.519 4.827) 16.491 21.426 ( -14.949 -11.235 5.184) 19.405 22.016 ( -2.331 -4.506 -0.692) 5.121 29.904 ( 20.014 0.514 -1.924) 20.112 30.737 ( 6.940 -12.501 -1.472) 14.373 31.356 ( -11.714 -2.604 -4.694) 12.886 31.490 ( -8.739 -0.579 0.634) 8.781 32.302 ( -9.619 7.687 6.120) 13.750 32.377 ( 3.216 11.293 -13.392) 17.810 35.711 ( 0.038 0.022 -0.279) 0.282 35.920 ( -2.567 2.104 3.787) 5.035 36.142 ( -4.639 -1.474 -1.607) 5.126 36.533 ( -3.739 0.835 -2.800) 4.745 51.936 ( 7.215 -4.509 18.685) 20.531 53.070 ( 2.720 -18.073 -15.245) 23.800 54.268 ( 3.206 3.915 -0.231) 5.066 54.839 ( 15.086 10.667 2.023) 18.587 55.239 ( -11.331 0.558 5.793) 12.739 56.159 ( -28.627 12.858 -23.540) 39.229 58.125 ( 22.736 -7.730 3.654) 24.290 58.558 ( 1.907 -0.331 6.858) 7.126 59.869 ( 3.589 0.498 14.800) 15.237 60.822 ( -3.706 0.292 -4.431) 5.784 ======================= Grid point 599 (289/355) ======================= q-point: (-0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -0.943 14.445 27.716) 31.269 3.411 ( -21.951 15.902 20.711) 34.112 4.873 ( 4.514 -3.411 5.190) 7.678 5.023 ( 7.699 5.368 -7.516) 12.024 6.408 ( -16.750 5.738 54.314) 57.127 7.486 ( -11.798 5.468 9.080) 15.860 8.809 ( 21.345 1.733 -24.988) 32.909 9.447 ( -11.726 4.317 -10.388) 16.250 10.219 ( 4.387 -0.956 7.799) 8.999 10.523 ( -7.600 -4.199 -0.477) 8.696 11.864 ( 11.462 -4.814 4.090) 13.087 12.328 ( -7.049 2.295 0.446) 7.427 12.957 ( 2.832 3.409 2.386) 5.033 13.795 ( -25.268 5.008 -24.541) 35.578 15.652 ( 15.413 4.696 5.930) 17.169 16.132 ( -10.546 6.901 1.037) 12.646 19.492 ( 9.902 0.304 -7.237) 12.269 19.594 ( -8.383 2.960 1.570) 9.028 20.640 ( 37.405 -9.225 3.321) 38.669 21.327 ( -19.321 -6.626 7.565) 21.781 21.612 ( 12.075 -1.042 4.125) 12.803 21.989 ( -5.387 -2.145 -2.405) 6.277 30.209 ( 21.792 -0.260 1.050) 21.818 30.881 ( -5.829 -6.954 -4.189) 9.994 31.209 ( -3.309 -2.032 -4.903) 6.254 31.367 ( -10.073 -0.964 1.108) 10.179 32.115 ( -10.158 5.701 6.884) 13.531 32.215 ( 3.241 7.875 -10.700) 13.676 35.730 ( 2.550 -0.482 -0.548) 2.652 35.848 ( -7.241 0.294 1.999) 7.517 36.140 ( 2.429 0.799 3.994) 4.742 36.441 ( -4.214 0.549 -4.344) 6.076 52.244 ( 7.285 -4.062 23.140) 24.598 53.151 ( -0.358 -11.976 -20.687) 23.906 54.304 ( 8.385 4.310 2.692) 9.804 54.947 ( 9.835 3.517 -5.542) 11.824 55.127 ( -8.947 -2.599 2.668) 9.691 55.407 ( -28.541 15.513 -11.078) 34.321 58.518 ( 17.147 -4.591 -1.361) 17.803 58.614 ( -0.762 -0.073 5.826) 5.876 60.087 ( 10.329 -1.090 15.512) 18.668 60.718 ( -5.489 -0.589 -6.755) 8.724 ======================= Grid point 601 (290/355) ======================= q-point: ( 0.08 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 21.714 -0.000 -20.999) 30.207 3.803 ( 29.259 -0.000 1.077) 29.279 4.857 ( -5.541 0.000 -5.662) 7.922 4.976 ( 2.353 -0.000 -5.663) 6.133 7.234 ( 18.418 -0.000 -35.204) 39.731 7.387 ( 2.906 -0.000 46.791) 46.881 8.446 ( -9.859 0.000 -19.034) 21.436 9.477 ( 10.186 -0.000 5.305) 11.485 10.266 ( -1.919 0.000 -4.484) 4.877 10.625 ( 7.537 -0.000 3.920) 8.495 11.738 ( -11.622 0.000 -0.979) 11.663 12.455 ( 3.632 -0.000 -5.379) 6.490 12.937 ( -2.797 0.000 -4.130) 4.988 13.850 ( 31.640 -0.000 25.616) 40.710 15.506 ( -12.013 0.000 -8.074) 14.474 16.321 ( 15.376 -0.000 -3.424) 15.753 19.172 ( -15.659 0.000 9.393) 18.260 19.681 ( 3.333 -0.000 1.499) 3.655 20.303 ( -25.549 0.000 -8.241) 26.845 21.481 ( -14.683 0.000 -4.324) 15.306 21.803 ( 17.504 -0.000 -15.287) 23.239 22.018 ( 2.680 -0.000 3.439) 4.360 29.892 ( -23.013 0.000 -0.620) 23.021 30.841 ( -7.508 0.000 3.616) 8.333 31.254 ( 11.218 -0.000 6.864) 13.151 31.487 ( 4.174 -0.000 -0.113) 4.176 32.029 ( 1.895 -0.000 9.262) 9.454 32.331 ( 11.254 -0.000 -6.785) 13.141 35.692 ( -0.499 0.000 1.341) 1.431 35.984 ( 7.117 -0.000 -1.746) 7.328 36.161 ( -1.184 0.000 -3.300) 3.506 36.454 ( 5.181 -0.000 3.083) 6.029 52.434 ( -11.133 0.000 -21.142) 23.894 52.859 ( -6.795 0.000 24.498) 25.423 54.210 ( -3.234 0.000 0.214) 3.241 54.659 ( -9.687 0.000 3.032) 10.151 55.434 ( 11.061 -0.000 -10.310) 15.121 55.556 ( 28.915 -0.000 17.653) 33.878 58.244 ( -19.342 0.000 0.035) 19.342 58.702 ( -2.300 0.000 -6.576) 6.966 60.202 ( -4.094 0.000 -15.054) 15.601 60.726 ( 4.818 -0.000 3.878) 6.185 ======================= Grid point 602 (291/355) ======================= q-point: ( 0.17 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 24.187 11.418 -23.596) 35.667 4.251 ( 18.588 -17.702 -29.011) 38.736 4.874 ( 4.666 -4.509 7.596) 9.990 5.018 ( 11.293 -3.529 -2.031) 12.004 7.316 ( 22.729 -2.546 -33.463) 40.532 7.668 ( -12.266 -0.763 44.815) 46.470 8.298 ( 9.697 -2.556 -22.504) 24.638 9.634 ( 3.684 -3.426 4.066) 6.468 10.222 ( 1.881 0.914 -4.886) 5.315 10.747 ( 8.490 2.570 1.939) 9.080 11.608 ( -6.057 0.593 2.415) 6.548 12.398 ( -5.720 -2.034 -7.345) 9.530 12.898 ( -2.654 -0.985 -0.524) 2.879 14.517 ( 29.559 -1.448 20.012) 35.726 15.357 ( -2.974 -6.385 -4.512) 8.365 16.541 ( 15.917 -3.418 -5.624) 17.224 18.987 ( -19.108 -1.361 6.937) 20.374 19.741 ( 0.006 0.831 2.284) 2.430 19.910 ( -13.925 0.350 -7.604) 15.870 21.201 ( -17.408 1.791 -5.333) 18.295 21.857 ( 10.862 8.323 -11.131) 17.640 22.057 ( 0.644 0.353 0.175) 0.755 29.589 ( -18.797 -0.420 1.458) 18.858 30.695 ( -9.457 6.808 3.734) 12.237 31.462 ( 10.396 0.418 6.105) 12.063 31.539 ( 0.825 -3.379 1.207) 3.682 32.161 ( 4.319 -2.263 8.994) 10.231 32.471 ( 10.716 -3.611 -7.200) 13.405 35.711 ( 1.698 -0.294 0.813) 1.906 35.998 ( 0.112 -0.528 -7.187) 7.207 36.206 ( 6.398 1.935 4.736) 8.192 36.544 ( 3.728 -1.321 1.579) 4.259 52.116 ( -8.948 4.663 -17.838) 20.494 52.849 ( -11.915 4.316 20.658) 24.235 54.230 ( 3.371 -0.062 1.757) 3.802 54.575 ( -7.715 -7.103 -1.932) 10.663 55.506 ( 10.113 0.472 -9.791) 14.084 56.152 ( 25.207 -5.157 22.486) 34.170 57.920 ( -19.187 2.896 -3.345) 19.690 58.601 ( -5.031 -0.342 -6.852) 8.508 60.052 ( -0.209 2.503 -13.898) 14.123 60.800 ( 1.376 -1.736 2.587) 3.405 ======================= Grid point 603 (292/355) ======================= q-point: ( 0.25 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 23.105 11.184 -21.583) 33.537 4.357 ( 7.629 -10.487 -28.080) 30.930 4.907 ( 5.131 6.456 -6.757) 10.661 5.566 ( 25.529 -23.517 4.834) 35.045 7.447 ( 8.672 -0.856 -7.738) 11.654 7.673 ( -12.418 -1.496 16.242) 20.500 8.466 ( 24.228 -1.619 -15.977) 29.067 9.723 ( -0.586 -4.751 2.174) 5.258 10.247 ( 5.749 0.400 -1.706) 6.010 10.839 ( 8.650 3.004 -1.929) 9.358 11.570 ( -0.649 2.623 3.693) 4.576 12.276 ( -12.085 -9.573 -5.830) 16.482 12.856 ( -3.831 0.846 1.704) 4.277 14.756 ( -1.503 -1.705 -10.098) 10.350 15.708 ( 27.891 -7.573 19.133) 34.660 16.776 ( 14.896 -3.967 -5.725) 16.444 18.742 ( -17.485 -0.570 -1.944) 17.602 19.594 ( -2.958 5.900 -3.407) 7.427 19.934 ( -1.291 -8.363 9.295) 12.570 20.865 ( -18.662 2.091 -7.317) 20.154 21.804 ( 6.512 10.842 -6.324) 14.140 22.025 ( -1.150 2.643 -2.587) 3.873 29.381 ( -13.368 -1.649 3.140) 13.830 30.477 ( -8.465 10.299 2.132) 13.500 31.574 ( -1.162 -3.928 3.171) 5.180 31.660 ( 8.427 -0.474 3.750) 9.235 32.308 ( 3.396 -2.077 8.483) 9.370 32.614 ( 8.938 -5.138 -8.358) 13.272 35.754 ( 2.994 -0.326 0.096) 3.014 35.956 ( -1.005 -2.271 -6.200) 6.679 36.303 ( 6.053 4.477 6.300) 9.817 36.612 ( 1.982 -1.682 0.522) 2.651 51.831 ( -6.077 5.967 -13.644) 16.084 52.724 ( -13.615 4.111 14.059) 19.998 54.292 ( 4.125 2.327 2.050) 5.161 54.583 ( -1.766 -8.905 -3.480) 9.723 55.590 ( 8.879 -2.116 -8.862) 12.722 56.613 ( 9.046 -1.624 16.568) 18.947 57.665 ( -6.355 1.870 1.615) 6.818 58.475 ( -6.461 -0.813 -7.004) 9.564 59.954 ( 2.724 2.915 -9.920) 10.692 60.852 ( -0.534 -3.558 1.565) 3.924 ======================= Grid point 604 (293/355) ======================= q-point: ( 0.33 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 23.710 9.260 -16.595) 30.386 4.422 ( 8.376 -6.746 -16.195) 19.441 4.823 ( 4.866 9.090 -10.450) 14.680 6.174 ( 18.478 -18.373 -1.620) 26.108 7.389 ( -26.400 6.212 45.657) 53.105 7.725 ( 20.631 -6.248 -35.600) 41.618 8.726 ( 21.454 2.091 -9.047) 23.377 9.778 ( -0.844 -5.644 -0.560) 5.734 10.340 ( 7.447 1.619 2.237) 7.943 10.889 ( 3.425 0.756 -5.149) 6.230 11.541 ( 0.210 3.485 -0.186) 3.497 12.264 ( -6.621 -15.548 2.110) 17.030 12.793 ( -4.257 2.083 2.467) 5.343 14.596 ( -6.594 -0.828 -15.880) 17.215 16.346 ( 26.191 -5.216 18.058) 32.237 16.976 ( 12.232 -1.524 -3.041) 12.696 18.497 ( -9.232 2.093 -7.901) 12.331 19.536 ( 2.362 3.147 1.267) 4.134 20.078 ( -5.722 -6.804 14.947) 17.391 20.550 ( -13.619 -3.437 -10.723) 17.672 21.707 ( 2.742 11.179 -3.296) 11.973 21.939 ( -1.903 3.611 -3.668) 5.488 29.283 ( -7.415 -3.007 4.310) 9.088 30.253 ( -5.804 10.187 -0.030) 11.725 31.610 ( -4.116 -5.171 3.015) 7.264 31.786 ( 6.327 1.897 2.543) 7.078 32.423 ( 2.340 -1.323 6.865) 7.373 32.738 ( 7.531 -5.129 -8.558) 12.500 35.794 ( 1.965 -0.240 -1.169) 2.299 35.950 ( 0.300 -3.352 -3.593) 4.923 36.359 ( 3.678 4.693 5.383) 8.033 36.643 ( 0.072 -0.453 0.127) 0.476 51.613 ( -3.443 5.409 -9.229) 11.238 52.575 ( -12.403 1.048 7.849) 14.715 54.316 ( 2.232 2.796 1.013) 3.719 54.674 ( 4.735 -4.776 -1.797) 6.961 55.691 ( 7.353 -4.044 -7.085) 10.983 56.638 ( -7.821 4.328 2.434) 9.264 57.763 ( 8.708 -1.498 13.096) 15.798 58.340 ( -6.820 -1.191 -7.016) 9.857 59.922 ( 4.094 2.241 -5.404) 7.140 60.891 ( -1.642 -4.283 0.677) 4.637 ======================= Grid point 605 (294/355) ======================= q-point: ( 0.42 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( 23.524 11.740 -9.713) 28.027 4.520 ( 7.995 0.604 -2.436) 8.380 4.710 ( 3.795 7.101 -10.936) 13.580 6.473 ( 6.032 -5.333 -2.633) 8.471 7.279 ( -23.463 6.248 50.959) 56.448 7.863 ( 22.255 -7.035 -39.326) 45.731 8.879 ( 12.053 7.113 -3.049) 14.324 9.817 ( -1.251 -4.922 -3.452) 6.140 10.443 ( 7.001 2.197 3.118) 7.973 10.815 ( -7.504 -0.240 -5.881) 9.537 11.533 ( 2.541 -0.211 -1.731) 3.082 12.467 ( 4.560 -12.100 8.511) 15.481 12.726 ( -3.313 1.563 2.008) 4.177 14.415 ( -3.974 0.422 -11.751) 12.413 16.733 ( 8.164 -0.236 6.467) 10.418 17.163 ( 12.970 -0.049 3.083) 13.331 18.320 ( -1.556 6.291 -5.942) 8.793 19.563 ( 2.465 1.767 0.707) 3.114 20.059 ( -10.318 -2.307 6.866) 12.606 20.516 ( -0.592 -13.329 -2.651) 13.603 21.568 ( -1.480 10.039 -2.991) 10.579 21.849 ( -1.692 2.953 -2.651) 4.314 29.292 ( -1.339 -3.846 4.490) 6.062 30.080 ( -1.973 7.724 -1.767) 8.165 31.618 ( -6.179 -5.411 2.772) 8.668 31.826 ( 1.659 3.232 1.018) 3.773 32.512 ( 3.056 -0.454 5.125) 5.984 32.832 ( 6.237 -3.136 -8.269) 10.822 35.800 ( -0.373 -1.085 -1.899) 2.218 35.986 ( 1.880 -2.033 -1.320) 3.068 36.377 ( 1.085 2.945 2.889) 4.265 36.630 ( -1.308 0.916 0.283) 1.622 51.477 ( -0.934 3.735 -4.815) 6.165 52.460 ( -9.848 -2.707 3.650) 10.846 54.317 ( 1.930 2.696 0.515) 3.356 54.790 ( 8.298 1.119 0.811) 8.413 55.790 ( 4.417 -3.781 -4.533) 7.372 56.465 ( -6.969 3.634 -0.628) 7.884 58.003 ( 8.117 -0.735 11.985) 14.493 58.209 ( -6.348 -1.295 -6.781) 9.379 59.931 ( 3.706 2.151 -2.186) 4.810 60.916 ( -2.196 -4.109 0.163) 4.662 ======================= Grid point 606 (295/355) ======================= q-point: (-0.50 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 18.354 20.399 -2.238) 27.531 4.561 ( -2.268 6.050 2.982) 7.116 4.667 ( 13.226 7.299 -0.737) 15.125 6.528 ( 0.734 2.262 4.188) 4.816 7.213 ( -22.380 8.661 47.517) 53.233 7.992 ( 22.020 -7.157 -40.674) 46.803 8.860 ( 1.611 12.019 1.863) 12.269 9.813 ( -3.155 -4.893 -3.077) 6.585 10.472 ( -0.864 7.583 -0.675) 7.662 10.691 ( -5.738 -6.494 -2.204) 8.942 11.549 ( 0.095 1.195 -1.147) 1.659 12.670 ( 0.331 -2.101 1.396) 2.544 12.763 ( 8.735 -0.616 8.151) 11.963 14.350 ( 2.403 -1.325 -2.222) 3.531 16.724 ( -7.075 4.039 0.103) 8.148 17.317 ( 8.928 4.889 -3.420) 10.738 18.232 ( 1.153 7.246 6.770) 9.984 19.540 ( -1.633 0.655 -2.533) 3.084 20.099 ( 4.855 -8.199 -0.364) 9.536 20.677 ( 1.915 -9.273 2.232) 9.728 21.389 ( -5.854 6.283 -4.055) 9.497 21.789 ( -1.731 0.841 -0.459) 1.978 29.387 ( 4.503 -3.311 3.047) 6.365 29.999 ( 2.277 3.377 -2.195) 4.627 31.596 ( -8.203 -5.409 2.391) 10.112 31.780 ( -3.213 2.780 0.104) 4.250 32.595 ( 3.994 1.015 4.223) 5.900 32.872 ( 5.137 0.423 -8.935) 10.315 35.788 ( -1.727 -1.626 -1.610) 2.867 36.019 ( 1.771 0.347 -0.091) 1.807 36.354 ( -2.015 1.386 -0.796) 2.572 36.604 ( -1.289 0.491 1.278) 1.881 51.431 ( 1.493 1.603 -0.548) 2.258 52.407 ( -7.169 -6.558 1.233) 9.794 54.320 ( 2.612 2.865 0.607) 3.924 54.895 ( 10.234 6.580 3.427) 12.640 55.811 ( -2.275 0.986 -0.804) 2.606 56.403 ( 1.265 -2.714 -0.826) 3.106 58.043 ( -6.338 -0.395 -8.329) 10.474 58.209 ( 5.134 -0.157 8.676) 10.083 59.933 ( 2.102 3.253 -0.705) 3.937 60.928 ( -2.467 -3.505 0.013) 4.286 ======================= Grid point 607 (296/355) ======================= q-point: (-0.42 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 12.794 27.823 5.158) 31.055 4.408 ( -8.796 11.621 12.330) 19.090 4.855 ( 20.883 8.403 3.432) 22.770 6.484 ( -4.279 10.405 5.631) 12.581 7.054 ( -27.119 12.248 48.558) 56.951 8.129 ( 23.388 -8.274 -40.833) 47.779 8.677 ( -6.497 15.963 6.022) 18.256 9.822 ( -3.081 -6.795 -0.987) 7.526 10.292 ( -4.355 8.006 -3.891) 9.910 10.715 ( -4.357 -4.852 1.416) 6.673 11.484 ( -3.777 3.314 0.580) 5.058 12.692 ( 0.044 -1.989 -2.316) 3.053 12.916 ( 9.936 7.284 6.244) 13.812 14.498 ( 9.687 -3.212 8.447) 13.248 16.454 ( -16.625 8.068 -6.169) 19.482 17.248 ( 4.474 13.758 -9.550) 17.335 18.305 ( 1.988 -0.731 20.327) 20.437 19.511 ( 1.606 -0.795 -5.091) 5.397 20.324 ( 11.116 -9.564 -6.348) 15.979 20.790 ( 5.106 2.093 3.315) 6.437 21.217 ( -10.750 -3.852 -3.387) 11.911 21.777 ( -1.715 -2.644 1.352) 3.429 29.532 ( 9.891 -1.051 0.085) 9.947 30.044 ( 6.050 -2.547 -0.873) 6.622 31.537 ( -10.445 -4.954 1.682) 11.682 31.682 ( -6.852 0.870 -0.033) 6.907 32.651 ( 2.185 3.019 4.707) 6.003 32.848 ( 5.617 4.646 -11.533) 13.644 35.767 ( -2.336 -1.315 -1.119) 2.905 36.027 ( 0.957 1.922 0.499) 2.204 36.277 ( -4.237 0.977 -2.843) 5.195 36.599 ( -1.406 -0.946 1.305) 2.139 51.474 ( 3.659 -0.632 3.647) 5.204 52.423 ( -4.971 -10.573 -0.620) 11.700 54.334 ( 3.631 3.460 0.886) 5.094 54.982 ( 11.730 10.586 5.086) 16.599 55.697 ( -7.963 5.229 2.377) 9.819 56.541 ( 7.755 -8.026 -1.118) 11.216 57.862 ( -7.673 1.162 -11.172) 13.603 58.337 ( 4.072 -0.370 7.635) 8.661 59.906 ( 0.984 4.603 0.694) 4.758 60.924 ( -3.149 -2.668 -0.399) 4.147 ======================= Grid point 608 (297/355) ======================= q-point: (-0.33 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 11.811 31.308 11.629) 35.425 4.253 ( -7.347 13.406 23.172) 27.761 5.066 ( 19.626 10.613 1.535) 22.365 6.141 ( -17.610 25.657 2.587) 31.227 6.855 ( -26.583 10.950 49.361) 57.123 8.227 ( 2.506 0.259 -19.797) 19.956 8.495 ( 12.424 8.365 -7.181) 16.610 9.853 ( -2.373 -5.084 -1.457) 5.797 10.158 ( -0.650 3.533 -2.738) 4.517 10.644 ( -9.219 2.884 3.106) 10.147 11.425 ( -2.908 -1.048 4.074) 5.114 12.657 ( -1.510 1.435 -6.229) 6.568 13.003 ( 8.742 7.113 5.742) 12.649 14.728 ( 6.409 0.427 7.741) 10.058 16.016 ( -14.812 12.968 -8.441) 21.420 17.026 ( -1.051 16.888 -7.044) 18.328 18.604 ( 9.139 -9.701 24.796) 28.150 19.529 ( 4.462 -0.962 -6.231) 7.724 20.418 ( 3.407 4.987 -11.311) 12.822 20.911 ( 11.398 -2.294 1.954) 11.790 21.148 ( -11.198 -12.606 1.514) 16.929 21.817 ( -1.771 -5.911 1.857) 6.444 29.703 ( 14.667 0.807 -2.176) 14.849 30.215 ( 8.475 -7.626 0.703) 11.422 31.430 ( -12.478 -4.072 0.270) 13.129 31.566 ( -9.538 -1.519 0.185) 9.660 32.631 ( -3.916 5.568 6.750) 9.587 32.777 ( 8.791 8.621 -15.868) 20.085 35.738 ( -2.152 -0.524 -0.636) 2.304 36.007 ( -1.248 1.500 -0.286) 1.972 36.188 ( -3.258 1.267 -1.348) 3.746 36.589 ( -2.662 -1.033 0.065) 2.856 51.602 ( 5.321 -2.971 7.991) 10.050 52.501 ( -3.446 -14.629 -3.179) 15.362 54.356 ( 5.028 4.622 1.153) 6.926 55.060 ( 13.112 12.548 5.046) 18.837 55.511 ( -10.947 6.069 4.222) 13.210 56.700 ( 1.768 -4.695 -8.517) 9.885 57.705 ( 0.041 -0.568 -5.989) 6.016 58.445 ( 2.400 -1.271 6.809) 7.330 59.880 ( 1.801 4.903 3.790) 6.454 60.888 ( -4.638 -1.861 -1.638) 5.259 ======================= Grid point 609 (298/355) ======================= q-point: (-0.25 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 14.163 32.752 15.936) 39.080 4.205 ( -4.729 14.176 32.147) 35.450 5.155 ( 9.807 13.627 -1.168) 16.829 5.481 ( -22.089 27.481 -3.621) 35.443 6.706 ( -21.361 11.949 48.627) 54.440 7.979 ( -11.475 11.600 2.562) 16.516 8.680 ( 26.176 0.058 -22.363) 34.428 9.819 ( -4.059 0.720 -5.302) 6.716 10.142 ( 2.020 0.662 0.262) 2.142 10.471 ( -11.068 2.562 5.417) 12.586 11.498 ( 1.923 -5.525 7.493) 9.506 12.539 ( -4.186 2.186 -8.593) 9.805 13.075 ( 6.632 7.231 6.234) 11.625 14.594 ( -16.085 8.977 -13.776) 23.002 15.773 ( 5.899 12.750 6.435) 15.452 16.734 ( -5.223 16.741 -4.976) 18.229 19.124 ( 17.702 -14.264 21.071) 30.997 19.573 ( 4.120 -2.330 -4.531) 6.552 20.255 ( 2.125 10.907 -8.443) 13.956 21.053 ( -11.585 -17.749 -2.839) 21.385 21.277 ( 11.711 -4.530 6.056) 13.941 21.874 ( -2.982 -6.951 0.988) 7.628 29.920 ( 18.475 0.677 -2.083) 18.604 30.457 ( 8.314 -9.948 1.323) 13.032 31.280 ( -13.179 -3.618 -1.796) 13.784 31.440 ( -11.556 -3.022 0.193) 11.947 32.505 ( -7.428 8.457 6.700) 13.099 32.669 ( 8.137 11.837 -16.805) 22.107 35.714 ( -0.931 -0.090 -0.169) 0.950 35.942 ( -5.473 -0.288 -1.696) 5.737 36.153 ( 1.265 2.648 2.276) 3.714 36.542 ( -3.996 -0.108 -1.463) 4.257 51.809 ( 6.237 -5.540 12.594) 15.106 52.618 ( -2.636 -18.000 -7.086) 19.523 54.390 ( 7.451 6.208 1.550) 9.822 55.137 ( 13.886 12.914 3.914) 19.363 55.297 ( -13.550 4.664 4.356) 14.978 56.448 ( -16.312 9.580 -20.490) 27.888 57.906 ( 17.392 -9.440 3.936) 20.177 58.529 ( 0.044 -2.250 5.979) 6.388 59.916 ( 4.783 3.503 8.451) 10.323 60.808 ( -6.508 -1.568 -3.735) 7.665 ======================= Grid point 610 (299/355) ======================= q-point: (-0.17 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 18.323 33.362 17.216) 41.775 4.033 ( -21.069 30.630 31.186) 48.525 4.895 ( -3.803 8.663 -0.162) 9.463 5.170 ( 4.094 6.840 -12.913) 15.175 6.640 ( -14.330 12.415 51.066) 54.472 7.706 ( -7.880 11.488 -0.352) 13.935 8.885 ( 23.859 4.426 -16.019) 29.077 9.609 ( -10.950 7.150 -9.687) 16.275 10.195 ( 3.538 -0.178 4.534) 5.754 10.385 ( -7.184 -4.930 2.857) 9.169 11.707 ( 7.687 -6.999 9.866) 14.332 12.373 ( -7.277 0.717 -9.383) 11.895 13.110 ( 5.289 8.902 7.383) 12.717 14.015 ( -21.812 12.809 -22.548) 33.885 15.855 ( 12.976 11.309 10.154) 19.984 16.416 ( -7.257 15.472 -4.535) 17.681 19.522 ( 11.271 1.180 -1.394) 11.418 19.635 ( -4.880 -2.986 4.617) 7.351 20.342 ( 22.927 -9.719 1.068) 24.925 21.029 ( -18.539 -17.208 0.845) 25.309 21.556 ( 13.547 -3.736 3.043) 14.379 21.892 ( -5.436 -5.754 -0.682) 7.945 30.198 ( 20.583 -0.555 -0.259) 20.592 30.661 ( -0.785 -9.413 0.765) 9.477 31.139 ( -6.837 -3.591 -3.219) 8.367 31.306 ( -12.114 -3.728 -0.022) 12.675 32.324 ( -8.272 10.301 7.280) 15.084 32.501 ( 5.765 13.868 -14.993) 21.221 35.718 ( 1.238 -0.447 0.219) 1.335 35.847 ( -6.540 -0.478 -0.695) 6.594 36.184 ( 4.206 2.869 4.053) 6.508 36.458 ( -4.602 0.716 -3.142) 5.618 52.086 ( 5.932 -8.167 17.300) 20.029 52.739 ( -2.778 -19.187 -12.180) 22.896 54.458 ( 11.655 7.682 2.956) 14.268 55.049 ( -16.732 4.048 3.515) 17.570 55.218 ( 12.896 9.893 0.129) 16.254 55.847 ( -20.126 18.750 -17.549) 32.628 58.336 ( 17.795 -10.220 2.121) 20.630 58.578 ( -2.487 -3.060 4.255) 5.802 60.068 ( 9.335 0.329 12.358) 15.491 60.687 ( -7.808 -2.005 -6.608) 10.424 ======================= Grid point 611 (300/355) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -0.711 32.206 20.488) 38.177 3.513 ( 1.798 26.568 8.031) 27.814 4.945 ( 6.964 -1.378 0.304) 7.106 5.058 ( -0.009 1.711 -12.127) 12.247 6.723 ( -6.148 8.591 53.449) 54.483 7.470 ( -0.625 9.614 -12.916) 16.114 9.062 ( 17.712 6.213 -4.057) 19.203 9.236 ( -13.127 8.179 -14.521) 21.215 10.303 ( 1.421 -3.860 6.049) 7.315 10.380 ( -1.402 -3.649 -1.259) 4.107 11.994 ( 6.905 -7.034 10.124) 14.130 12.195 ( -5.380 -0.642 -9.408) 10.856 13.151 ( 8.241 9.026 10.529) 16.132 13.449 ( -14.867 10.850 -18.550) 26.132 15.976 ( 9.494 8.415 6.749) 14.370 16.103 ( -5.464 12.608 -5.828) 14.926 19.502 ( -10.307 3.885 4.891) 12.052 19.604 ( 6.451 2.702 -4.766) 8.464 20.915 ( -17.155 -15.224 2.590) 23.082 20.977 ( 24.186 -17.463 -3.208) 30.004 21.784 ( 9.826 -2.084 2.258) 10.295 21.836 ( -7.829 -3.394 -2.778) 8.974 30.518 ( 18.522 -2.042 2.350) 18.782 30.575 ( -18.929 -4.687 -2.934) 19.720 31.164 ( -7.339 -4.492 2.745) 9.031 31.220 ( 4.996 -3.793 -2.831) 6.882 32.137 ( -7.416 10.040 8.511) 15.108 32.334 ( 6.163 12.061 -11.154) 17.546 35.754 ( -2.687 -0.328 1.600) 3.144 35.777 ( 1.670 -0.801 -0.566) 1.937 36.257 ( 5.455 2.197 4.599) 7.466 36.353 ( -4.293 1.028 -4.892) 6.590 52.401 ( 3.315 -9.815 21.445) 23.816 52.799 ( -4.477 -15.855 -17.602) 24.109 54.595 ( 12.410 8.068 7.544) 16.613 54.735 ( -16.149 4.023 -4.884) 17.345 55.234 ( -7.649 10.099 2.928) 13.003 55.349 ( 7.319 14.540 -9.479) 18.838 58.547 ( -7.301 -3.996 5.911) 10.209 58.659 ( 9.663 -4.643 -5.063) 11.856 60.325 ( 10.520 -2.554 11.492) 15.789 60.544 ( -6.555 -2.153 -10.102) 12.233 ======================= Grid point 614 (301/355) ======================= q-point: ( 0.17 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 28.926 -0.000 -31.982) 43.123 4.151 ( 13.478 -0.000 -30.289) 33.153 5.096 ( 11.170 -0.000 -8.699) 14.158 5.156 ( 21.177 -0.000 15.162) 26.045 7.427 ( 27.982 -0.000 -37.789) 47.021 7.660 ( -29.169 0.000 47.331) 55.598 8.450 ( 28.766 -0.000 -18.618) 34.265 9.659 ( -1.169 0.000 4.254) 4.411 10.245 ( 6.294 -0.000 -6.170) 8.814 10.892 ( 7.055 -0.000 0.599) 7.081 11.603 ( 0.114 -0.000 8.282) 8.282 12.149 ( -15.550 0.000 -11.382) 19.271 12.870 ( -2.595 0.000 2.295) 3.465 14.728 ( -2.292 0.000 -10.811) 11.051 15.620 ( 31.979 -0.000 22.042) 38.840 16.722 ( 18.263 -0.000 -8.566) 20.172 18.734 ( -17.701 0.000 2.320) 17.852 19.693 ( -6.246 0.000 -5.600) 8.389 19.803 ( 0.596 -0.000 7.338) 7.362 20.893 ( -20.282 0.000 -6.964) 21.444 21.956 ( 6.816 -0.000 -10.773) 12.748 22.043 ( -2.910 0.000 0.542) 2.960 29.361 ( -13.770 0.000 2.937) 14.080 30.625 ( -10.047 0.000 4.400) 10.969 31.499 ( -3.244 0.000 2.542) 4.122 31.656 ( 9.437 -0.000 5.712) 11.031 32.288 ( 5.768 -0.000 7.644) 9.576 32.546 ( 9.891 -0.000 -9.319) 13.590 35.751 ( 3.407 -0.000 0.313) 3.421 35.925 ( -1.319 0.000 -7.893) 8.002 36.373 ( 7.046 -0.000 7.678) 10.421 36.580 ( 1.440 -0.000 0.451) 1.509 51.910 ( -5.546 0.000 -17.681) 18.531 52.774 ( -19.664 0.000 18.633) 27.090 54.357 ( 10.278 -0.000 2.688) 10.624 54.438 ( -2.772 0.000 -2.682) 3.857 55.566 ( 8.268 -0.000 -10.268) 13.183 56.585 ( 13.363 -0.000 19.628) 23.746 57.692 ( -9.227 0.000 -0.029) 9.227 58.464 ( -6.800 0.000 -6.566) 9.453 59.998 ( 3.696 -0.000 -13.177) 13.685 60.799 ( -1.840 0.000 2.360) 2.992 ======================= Grid point 615 (302/355) ======================= q-point: ( 0.25 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 29.391 11.475 -27.113) 41.600 4.249 ( 17.191 -6.922 -21.394) 28.304 5.096 ( 8.713 11.382 -8.212) 16.520 5.716 ( 24.825 -16.540 6.370) 30.503 7.514 ( -17.491 4.419 32.543) 37.209 7.617 ( 15.911 -3.574 -21.853) 27.267 8.777 ( 30.327 1.465 -13.858) 33.376 9.668 ( -3.505 -2.809 4.273) 6.199 10.332 ( 9.790 -1.092 -4.572) 10.860 10.927 ( -0.391 1.691 -4.506) 4.829 11.666 ( 0.748 6.795 4.174) 8.009 11.922 ( -8.657 -12.106 -2.084) 15.028 12.835 ( -4.218 1.102 3.632) 5.674 14.560 ( -5.918 -1.318 -15.817) 16.939 16.270 ( 30.099 -1.332 20.898) 36.667 16.943 ( 18.992 -0.970 -9.328) 21.182 18.538 ( -7.510 1.057 -1.982) 7.839 19.617 ( 0.419 3.054 1.374) 3.375 19.898 ( -1.543 -5.937 10.823) 12.441 20.521 ( -21.812 -0.108 -9.960) 23.979 21.919 ( 0.672 6.008 -4.692) 7.652 21.989 ( -2.386 0.051 -3.934) 4.601 29.233 ( -7.898 -1.067 4.255) 9.034 30.469 ( -8.892 6.095 2.531) 11.074 31.486 ( -5.082 -3.967 3.728) 7.447 31.813 ( 6.855 0.481 4.666) 8.306 32.414 ( 4.519 0.301 6.576) 7.984 32.631 ( 9.376 -2.988 -11.359) 15.029 35.801 ( 3.217 0.914 -1.408) 3.628 35.871 ( -0.393 -2.676 -5.717) 6.325 36.481 ( 3.708 4.641 6.841) 9.060 36.606 ( 0.042 -2.509 0.859) 2.653 51.720 ( -2.296 2.800 -15.178) 15.604 52.577 ( -21.139 -0.404 13.146) 24.897 54.395 ( 2.339 3.028 -0.203) 3.832 54.580 ( 12.370 -2.894 2.219) 12.896 55.621 ( 7.497 -1.571 -9.273) 12.027 56.704 ( -6.627 1.287 4.757) 8.259 57.740 ( 8.049 -0.433 12.880) 15.194 58.318 ( -7.303 -0.504 -6.054) 9.500 59.978 ( 6.008 1.778 -9.943) 11.752 60.792 ( -3.357 -2.936 1.863) 4.834 ======================= Grid point 616 (303/355) ======================= q-point: ( 0.33 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( 32.462 11.702 -19.107) 39.443 4.480 ( 19.681 -2.665 -8.824) 21.733 4.984 ( 3.806 13.137 -5.950) 14.916 6.255 ( 19.164 -11.956 1.558) 22.641 7.417 ( -24.826 4.894 49.766) 55.830 7.757 ( 25.371 -1.860 -37.802) 45.565 9.054 ( 23.102 6.699 -7.915) 25.323 9.691 ( -2.269 -4.668 1.040) 5.293 10.471 ( 9.169 -0.330 -1.591) 9.312 10.771 ( -12.959 -2.496 -8.479) 15.686 11.569 ( 0.908 3.033 -4.701) 5.668 12.168 ( 10.652 -11.434 13.504) 20.654 12.772 ( -5.366 1.815 4.111) 6.999 14.397 ( -4.116 -1.355 -13.400) 14.083 16.730 ( 13.625 -0.011 12.222) 18.303 17.165 ( 18.751 0.038 -6.862) 19.967 18.469 ( 5.564 5.431 -3.928) 8.711 19.630 ( 3.230 3.810 3.557) 6.131 19.986 ( -14.518 -4.020 13.319) 20.108 20.216 ( -7.699 -10.005 -10.664) 16.526 21.779 ( -5.287 6.587 -3.361) 9.090 21.922 ( -0.877 2.762 -3.730) 4.723 29.216 ( -1.806 -2.302 5.187) 5.955 30.282 ( -5.542 8.016 0.032) 9.745 31.484 ( -6.867 -5.368 4.171) 9.663 31.888 ( 1.486 1.844 2.293) 3.296 32.509 ( 4.200 0.392 4.739) 6.345 32.737 ( 9.656 -4.127 -10.816) 15.075 35.780 ( -1.106 -0.335 -4.055) 4.216 35.918 ( 3.638 -3.027 -2.062) 5.162 36.476 ( -0.287 4.610 2.745) 5.373 36.640 ( -0.643 -0.431 3.269) 3.359 51.572 ( 0.176 3.784 -11.079) 11.709 52.382 ( -18.056 -3.368 8.236) 20.129 54.402 ( 3.638 3.918 1.070) 5.453 54.816 ( 14.911 0.572 3.334) 15.290 55.695 ( 6.367 -3.371 -7.579) 10.457 56.547 ( -10.126 2.707 -0.714) 10.506 57.991 ( 9.205 -0.328 14.446) 17.133 58.182 ( -6.840 -0.893 -5.445) 8.788 59.991 ( 6.562 2.616 -5.829) 9.158 60.797 ( -3.950 -5.036 1.188) 6.510 ======================= Grid point 617 (304/355) ======================= q-point: ( 0.42 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( 33.771 14.502 -11.565) 38.529 4.670 ( 6.881 5.510 -1.917) 9.021 4.908 ( 12.415 10.412 4.857) 16.915 6.549 ( 9.373 -0.603 3.783) 10.126 7.379 ( -19.514 4.826 47.587) 51.659 7.875 ( 24.475 -2.103 -39.540) 46.549 9.162 ( 11.553 12.613 -0.870) 17.127 9.696 ( -4.097 -3.935 -3.337) 6.588 10.503 ( -9.132 -6.843 -2.005) 11.586 10.631 ( 2.139 2.340 -5.145) 6.043 11.563 ( 3.710 0.726 -3.721) 5.305 12.580 ( 11.361 -6.341 9.756) 16.263 12.731 ( 1.308 -0.289 10.093) 10.182 14.307 ( -0.023 -1.982 -7.360) 7.622 16.828 ( -2.696 4.232 3.917) 6.366 17.385 ( 16.878 1.303 -5.292) 17.736 18.465 ( 7.202 11.080 -1.386) 13.288 19.586 ( -5.059 2.905 -2.775) 6.460 19.888 ( -3.993 -8.532 0.836) 9.458 20.374 ( 2.410 -13.973 6.375) 15.546 21.570 ( -8.272 6.671 -5.032) 11.758 21.846 ( -1.947 3.605 -1.112) 4.245 29.303 ( 3.967 -3.214 5.304) 7.362 30.135 ( -0.942 6.954 -1.835) 7.253 31.464 ( -8.615 -5.460 3.920) 10.926 31.844 ( -4.522 2.408 -0.530) 5.151 32.602 ( 4.155 -0.033 4.943) 6.458 32.847 ( 10.047 -2.202 -11.079) 15.117 35.743 ( -2.213 -1.727 -2.885) 4.025 35.990 ( 3.423 -2.338 -2.084) 4.640 36.418 ( -2.414 3.439 0.490) 4.230 36.636 ( -1.789 1.694 3.506) 4.285 51.487 ( 2.166 3.031 -6.213) 7.244 52.252 ( -13.716 -6.242 4.888) 15.843 54.421 ( 4.993 5.222 2.019) 7.502 55.038 ( 15.664 4.786 4.658) 17.029 55.771 ( 3.614 -3.466 -4.857) 6.976 56.391 ( -6.191 1.054 -0.628) 6.311 58.037 ( -6.356 -0.142 -5.856) 8.643 58.204 ( 5.310 -0.261 10.038) 11.359 60.015 ( 5.543 3.559 -2.904) 7.199 60.811 ( -4.077 -5.816 0.878) 7.157 ======================= Grid point 618 (305/355) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 26.195 26.780 -2.162) 37.524 4.614 ( -0.278 4.908 4.089) 6.394 5.100 ( 19.466 11.367 9.540) 24.478 6.656 ( 3.916 5.656 9.985) 12.125 7.341 ( -18.586 9.693 43.107) 47.933 7.980 ( 23.961 -3.613 -41.070) 47.686 9.078 ( 0.189 17.175 3.749) 17.581 9.643 ( -6.850 -6.137 -1.880) 9.387 10.445 ( -5.613 -4.292 -4.815) 8.550 10.611 ( 3.330 3.846 -0.807) 5.150 11.562 ( 0.248 2.472 -1.687) 3.003 12.627 ( -3.016 -2.528 0.074) 3.936 13.046 ( 15.012 2.604 15.170) 21.501 14.386 ( 8.470 -5.351 2.634) 10.359 16.650 ( -11.701 8.197 -1.272) 14.343 17.523 ( 15.226 8.079 -9.053) 19.469 18.365 ( -6.460 6.598 6.777) 11.453 19.508 ( 1.944 -0.461 -5.787) 6.122 20.044 ( 7.099 -12.066 -3.388) 14.403 20.630 ( 4.068 -11.416 8.440) 14.768 21.312 ( -10.419 6.860 -6.355) 14.000 21.769 ( -3.408 2.136 0.880) 4.117 29.472 ( 8.982 -3.256 4.233) 10.450 30.074 ( 3.925 4.085 -2.463) 6.178 31.414 ( -10.519 -5.199 3.312) 12.193 31.710 ( -8.794 1.419 -2.003) 9.130 32.688 ( 1.859 0.334 6.450) 6.720 32.920 ( 10.925 1.528 -13.301) 17.280 35.717 ( -2.675 -2.381 -1.499) 3.882 36.034 ( 1.660 -1.191 -2.658) 3.352 36.336 ( -3.027 3.296 -0.410) 4.494 36.607 ( -2.363 1.541 3.026) 4.137 51.479 ( 3.854 1.204 -1.393) 4.271 52.195 ( -9.872 -8.575 2.596) 13.332 54.453 ( 6.448 6.250 2.734) 9.387 55.215 ( 14.815 8.580 4.854) 17.795 55.780 ( -2.937 1.191 -0.094) 3.170 56.376 ( 2.270 -5.155 -0.714) 5.678 57.886 ( -6.929 0.835 -8.155) 10.734 58.324 ( 2.586 -0.672 6.997) 7.490 60.021 ( 4.238 4.914 -1.473) 6.655 60.824 ( -4.428 -5.449 0.767) 7.064 ======================= Grid point 619 (306/355) ======================= q-point: (-0.42 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 14.730 29.459 10.712) 34.635 4.595 ( 5.257 14.845 8.968) 18.122 5.299 ( 17.148 8.948 3.873) 19.726 6.629 ( -1.924 15.081 6.469) 16.522 7.187 ( -22.631 15.518 45.565) 53.190 8.100 ( 22.405 -5.899 -40.003) 46.228 8.864 ( -3.408 17.891 8.903) 20.273 9.640 ( -5.425 -8.982 0.250) 10.496 10.355 ( 3.882 8.552 -7.370) 11.938 10.629 ( -3.045 -2.448 4.152) 5.701 11.486 ( -3.154 4.883 1.150) 5.926 12.613 ( -3.742 -3.754 -3.197) 6.190 13.226 ( 9.894 10.173 10.358) 17.569 14.681 ( 13.218 -4.670 9.226) 16.782 16.310 ( -13.350 11.575 -5.047) 18.376 17.455 ( 6.622 18.555 -12.310) 23.231 18.357 ( -4.978 -10.323 16.225) 19.865 19.540 ( 6.810 0.899 -5.370) 8.719 20.280 ( 8.609 -12.858 -8.718) 17.761 20.871 ( 2.019 -9.818 7.473) 12.503 21.027 ( -8.066 7.928 -5.759) 12.692 21.719 ( -4.113 -1.581 2.022) 4.848 29.689 ( 13.083 -2.017 2.017) 13.391 30.124 ( 8.052 -0.159 -1.444) 8.182 31.324 ( -12.622 -4.655 2.359) 13.659 31.540 ( -11.427 -0.580 -2.203) 11.651 32.723 ( -2.280 2.187 7.958) 8.562 32.944 ( 11.927 5.333 -16.225) 20.832 35.700 ( -2.551 -2.290 -0.308) 3.442 36.020 ( -1.798 -0.168 -3.875) 4.275 36.261 ( -0.818 3.863 0.710) 4.012 36.575 ( -2.928 0.294 1.949) 3.529 51.550 ( 5.012 -1.132 3.121) 6.012 52.199 ( -6.944 -10.737 0.370) 12.792 54.499 ( 7.994 7.184 3.228) 11.222 55.332 ( 12.687 9.953 2.667) 16.344 55.663 ( -8.050 6.311 4.844) 11.318 56.533 ( 6.250 -8.352 -2.528) 10.733 57.719 ( -4.494 1.328 -8.154) 9.404 58.402 ( 0.020 -2.257 5.128) 5.603 60.011 ( 4.369 5.860 0.169) 7.312 60.812 ( -5.743 -4.288 0.007) 7.167 ======================= Grid point 620 (307/355) ======================= q-point: (-0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 17.298 32.107 16.746) 40.131 4.550 ( 4.116 17.346 17.536) 25.006 5.405 ( 10.614 7.917 -5.008) 14.157 6.233 ( -16.935 31.120 -1.534) 35.463 7.022 ( -18.765 14.273 47.801) 53.299 8.133 ( 7.676 0.345 -28.876) 29.880 8.798 ( 12.666 10.709 6.614) 17.857 9.677 ( -5.658 -9.366 -0.228) 10.944 10.283 ( 8.721 10.432 -6.537) 15.087 10.584 ( -8.223 3.469 5.892) 10.694 11.435 ( -0.466 0.968 6.824) 6.908 12.533 ( -6.860 -2.358 -8.565) 11.224 13.299 ( 8.784 11.403 10.748) 17.964 14.802 ( -3.318 7.350 -4.858) 9.414 16.052 ( 1.389 10.079 4.291) 11.042 17.161 ( -3.123 18.878 -10.153) 21.661 18.685 ( 6.174 -20.289 19.275) 28.658 19.590 ( 6.972 1.695 -5.510) 9.046 20.430 ( 6.125 -3.859 -11.806) 13.849 20.709 ( -18.723 -3.996 -2.863) 19.358 21.161 ( 12.668 -4.458 5.315) 14.443 21.715 ( -4.354 -5.484 1.945) 7.267 29.925 ( 16.320 -0.544 -0.101) 16.330 30.284 ( 9.811 -4.354 0.502) 10.746 31.189 ( -13.984 -3.907 0.759) 14.539 31.368 ( -12.813 -2.752 -1.679) 13.212 32.676 ( -5.446 5.515 8.473) 11.483 32.912 ( 10.778 8.391 -17.759) 22.404 35.693 ( -1.680 -1.647 0.572) 2.421 35.940 ( -4.624 0.303 -4.056) 6.158 36.238 ( 2.509 3.925 2.155) 5.133 36.535 ( -3.813 -0.157 0.449) 3.842 51.693 ( 5.209 -3.885 7.530) 9.946 52.248 ( -4.706 -12.906 -2.729) 14.006 54.561 ( 9.929 8.059 3.524) 13.265 55.363 ( 1.535 6.297 -2.837) 7.075 55.510 ( -1.631 12.089 10.961) 16.399 56.571 ( -4.828 0.531 -12.392) 13.310 57.722 ( 8.904 -5.377 0.174) 10.403 58.451 ( -2.823 -4.182 3.842) 6.342 60.028 ( 6.278 5.606 3.177) 8.996 60.751 ( -7.791 -3.011 -1.868) 8.559 ======================= Grid point 621 (308/355) ======================= q-point: (-0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 22.204 36.386 17.758) 46.177 4.574 ( 2.520 14.881 26.820) 30.775 5.341 ( 3.418 9.441 -12.989) 16.418 5.467 ( -24.515 34.671 -6.876) 43.016 6.950 ( -14.002 12.842 46.494) 50.226 7.961 ( 1.402 8.614 -19.018) 20.925 9.002 ( 21.418 5.244 0.510) 22.056 9.653 ( -8.668 -4.366 -4.146) 10.554 10.271 ( 8.373 7.799 -3.012) 11.833 10.407 ( -9.922 6.546 4.700) 12.782 11.569 ( 6.194 -4.032 12.733) 14.723 12.360 ( -9.262 -1.736 -12.981) 16.041 13.365 ( 8.385 12.378 12.590) 19.546 14.374 ( -17.260 16.624 -19.584) 30.949 16.130 ( 12.173 10.377 12.845) 20.515 16.811 ( -6.084 16.728 -9.259) 20.064 19.218 ( 9.096 -23.500 17.771) 30.835 19.627 ( 5.793 1.563 -4.955) 7.782 20.359 ( 2.937 7.985 -7.356) 11.247 20.585 ( -15.443 -17.870 -3.579) 23.887 21.440 ( 12.664 -5.580 2.954) 14.151 21.733 ( -5.342 -7.045 0.496) 8.855 30.183 ( 18.105 -0.810 -0.490) 18.130 30.475 ( 3.898 -5.954 1.605) 7.295 31.048 ( -9.275 -3.823 -0.839) 10.067 31.210 ( -12.801 -4.022 -1.121) 13.464 32.559 ( -6.869 8.788 9.034) 14.354 32.809 ( 7.933 11.281 -17.346) 22.160 35.702 ( 0.051 -1.060 1.086) 1.518 35.841 ( -4.832 0.259 -2.597) 5.492 36.264 ( 4.531 3.499 2.732) 6.343 36.470 ( -4.500 0.375 -1.237) 4.682 51.895 ( 3.791 -7.261 12.105) 14.616 52.326 ( -2.663 -14.696 -7.212) 16.586 54.653 ( 12.862 8.498 3.888) 15.899 55.164 ( -14.272 5.762 0.626) 15.405 55.508 ( 9.644 13.009 7.085) 17.676 56.227 ( -13.322 12.385 -17.914) 25.530 58.063 ( 17.053 -11.743 4.208) 21.129 58.469 ( -5.944 -5.957 2.281) 8.719 60.117 ( 8.719 3.649 7.295) 11.939 60.633 ( -9.173 -2.290 -5.013) 10.701 ======================= Grid point 622 (309/355) ======================= q-point: (-0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -26.039 39.050 19.920) 50.988 4.311 ( 25.408 38.391 16.220) 48.811 4.982 ( 6.521 5.894 -3.432) 9.436 5.143 ( -1.358 6.794 -18.715) 19.956 6.956 ( -11.157 9.914 48.367) 50.617 7.740 ( 5.305 11.837 -22.175) 25.690 9.239 ( 16.094 6.928 2.391) 17.684 9.431 ( -11.008 5.639 -11.219) 16.699 10.228 ( -8.189 -0.398 7.248) 10.943 10.349 ( 8.836 3.125 -4.578) 10.431 11.842 ( 7.587 -5.294 15.100) 17.709 12.152 ( -7.139 -2.527 -15.259) 17.035 13.430 ( 9.473 13.818 15.185) 22.611 13.782 ( -14.988 16.565 -19.177) 29.441 16.245 ( 10.210 12.870 10.647) 19.577 16.457 ( -6.330 15.622 -10.245) 19.725 19.543 ( -6.316 -5.569 8.283) 11.811 19.656 ( 5.004 1.343 -2.411) 5.715 20.456 ( -3.910 -17.742 3.810) 18.563 20.579 ( 4.999 -13.382 -7.626) 16.193 21.679 ( 3.476 -6.270 2.137) 7.481 21.728 ( -0.699 -5.479 -2.810) 6.197 30.450 ( 1.318 -3.446 1.109) 3.853 30.469 ( -0.492 -3.498 -0.836) 3.630 31.059 ( -4.083 -3.997 2.443) 6.214 31.111 ( 2.051 -5.055 -2.712) 6.092 32.401 ( -7.264 11.039 10.126) 16.648 32.650 ( 6.311 13.085 -14.638) 20.623 35.741 ( 2.337 -1.037 1.347) 2.890 35.764 ( -3.529 0.085 -0.876) 3.638 36.319 ( 4.859 2.773 3.036) 6.365 36.382 ( -3.681 1.262 -3.162) 5.014 52.133 ( -0.850 -11.601 15.932) 19.727 52.416 ( 0.267 -14.559 -11.983) 18.858 54.798 ( 14.831 8.272 4.913) 17.678 54.855 ( -15.646 6.234 -0.456) 16.848 55.522 ( 2.799 13.435 7.808) 15.789 55.756 ( -5.097 17.094 -15.515) 23.641 58.402 ( -3.557 -8.098 5.051) 10.186 58.491 ( 6.853 -9.121 -3.625) 11.970 60.283 ( 5.414 -0.382 10.957) 12.227 60.492 ( -4.022 -1.813 -9.589) 10.555 ======================= Grid point 623 (310/355) ======================= q-point: (-0.08 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -20.597 30.115 6.012) 36.977 4.378 ( 32.747 39.469 6.215) 51.660 4.935 ( -3.390 -0.036 -14.964) 15.343 5.049 ( 5.354 3.823 -1.410) 6.728 7.071 ( -6.098 4.285 45.174) 45.784 7.549 ( 12.308 12.710 -25.613) 31.130 8.962 ( -18.014 9.254 -13.642) 24.418 9.460 ( 16.050 8.627 2.028) 18.334 10.208 ( -5.304 -5.527 3.146) 8.281 10.439 ( 9.027 0.067 -2.324) 9.322 11.878 ( -11.929 -3.306 -4.499) 13.171 12.223 ( 12.688 -4.612 3.079) 13.847 13.309 ( -9.865 11.929 -12.005) 19.590 13.578 ( 17.088 13.305 19.082) 28.864 16.052 ( -10.293 15.373 -8.004) 20.158 16.338 ( 11.629 10.757 2.432) 16.028 19.423 ( -12.483 4.503 6.707) 14.868 19.696 ( 3.662 1.164 -1.220) 4.031 20.391 ( -21.864 -15.001 -2.940) 26.678 21.072 ( 21.164 -22.016 -3.184) 30.704 21.625 ( -10.099 -4.585 -3.550) 11.645 21.888 ( 7.637 -4.138 -0.825) 8.725 30.206 ( -22.064 -1.895 -0.746) 22.158 30.668 ( 2.293 -7.047 -0.132) 7.412 31.063 ( 3.454 -1.863 3.984) 5.592 31.311 ( 12.167 -4.272 -0.509) 12.905 32.238 ( -6.118 11.350 11.052) 16.982 32.505 ( 7.190 12.135 -10.596) 17.641 35.715 ( -2.063 0.424 0.507) 2.166 35.826 ( 5.278 -1.999 1.303) 5.793 36.269 ( -4.110 1.519 -4.025) 5.950 36.403 ( 6.284 2.351 2.205) 7.063 52.310 ( -9.676 -15.779 4.398) 19.025 52.541 ( 4.230 -10.763 -1.759) 11.697 54.505 ( -15.116 7.545 -1.182) 16.936 55.043 ( 21.206 4.834 4.445) 22.200 55.217 ( -13.910 16.193 0.700) 21.359 55.659 ( 14.822 13.344 -0.280) 19.946 58.338 ( -15.153 -7.326 1.404) 16.889 58.679 ( 5.746 -4.701 -5.244) 9.089 60.265 ( -9.809 -4.179 -5.409) 11.955 60.579 ( 11.903 -0.559 2.350) 12.145 ======================= Grid point 627 (311/355) ======================= q-point: ( 0.25 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 27.640 -0.000 -22.478) 35.627 4.437 ( 28.032 -0.000 -9.681) 29.657 5.190 ( 3.136 -0.000 -10.754) 11.201 6.055 ( 26.985 -0.000 7.866) 28.108 7.482 ( -26.543 0.000 49.119) 55.832 7.743 ( 28.236 -0.000 -37.292) 46.775 9.147 ( 29.680 -0.000 -11.886) 31.971 9.627 ( -4.806 0.000 7.322) 8.759 10.454 ( 12.820 -0.000 -5.722) 14.039 10.739 ( -19.144 0.000 -8.952) 21.133 11.625 ( -1.593 0.000 -8.662) 8.807 12.007 ( 15.287 -0.000 17.534) 23.262 12.796 ( -6.035 0.000 4.750) 7.680 14.377 ( -3.880 0.000 -13.226) 13.784 16.731 ( 15.399 -0.000 14.233) 20.970 17.164 ( 21.106 -0.000 -10.855) 23.734 18.541 ( 8.891 -0.000 -2.966) 9.372 19.707 ( 4.062 -0.000 8.817) 9.708 19.897 ( -6.485 0.000 13.960) 15.393 20.100 ( -21.176 0.000 -15.981) 26.530 21.858 ( -8.345 0.000 -3.493) 9.047 21.959 ( 1.045 -0.000 -4.225) 4.352 29.188 ( -1.923 0.000 5.246) 5.587 30.393 ( -7.825 0.000 1.194) 7.916 31.408 ( -6.231 0.000 4.494) 7.683 31.911 ( 1.546 -0.000 3.069) 3.436 32.521 ( 3.092 -0.000 6.958) 7.614 32.676 ( 12.324 -0.000 -14.385) 18.942 35.781 ( -2.030 0.000 -5.797) 6.142 35.874 ( 4.889 -0.000 -1.287) 5.055 36.552 ( -2.593 0.000 -1.169) 2.845 36.618 ( 1.479 -0.000 8.057) 8.191 51.625 ( 1.384 -0.000 -14.856) 14.920 52.334 ( -21.776 0.000 11.400) 24.580 54.460 ( 3.972 -0.000 1.847) 4.381 54.818 ( 17.131 -0.000 4.126) 17.621 55.652 ( 6.864 -0.000 -8.977) 11.300 56.581 ( -10.870 0.000 -0.694) 10.892 57.987 ( 9.842 -0.000 15.504) 18.364 58.170 ( -7.167 0.000 -5.087) 8.789 60.030 ( 7.861 -0.000 -7.911) 11.153 60.726 ( -4.785 0.000 2.073) 5.214 ======================= Grid point 628 (312/355) ======================= q-point: ( 0.33 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( 26.104 2.017 -14.133) 29.752 4.831 ( 29.166 4.883 0.326) 29.573 5.114 ( 2.988 5.999 -3.463) 7.544 6.505 ( 23.283 -2.169 4.735) 23.859 7.442 ( -23.532 0.945 47.601) 53.108 7.877 ( 26.717 1.056 -38.623) 46.975 9.422 ( 20.539 7.729 -5.230) 22.560 9.632 ( -2.785 -1.863 4.569) 5.666 10.362 ( -23.270 -3.772 -5.050) 24.109 10.623 ( 12.570 -1.643 -5.486) 13.813 11.595 ( 5.227 1.327 -8.589) 10.141 12.431 ( 19.525 -4.281 15.858) 25.515 12.741 ( -5.100 0.479 9.282) 10.602 14.270 ( -0.892 -0.880 -8.268) 8.362 16.905 ( -0.023 1.816 8.068) 8.270 17.398 ( 20.426 0.121 -9.541) 22.545 18.691 ( 17.322 6.153 -7.059) 19.691 19.601 ( -25.564 -2.587 -10.269) 27.671 19.819 ( 3.885 4.907 11.387) 12.994 20.061 ( 2.262 -11.528 7.990) 14.207 21.674 ( -10.612 2.079 -5.484) 12.125 21.926 ( -1.291 2.176 -1.318) 2.853 29.248 ( 3.867 -1.187 5.860) 7.121 30.278 ( -4.248 3.821 -0.630) 5.749 31.357 ( -7.930 -2.865 4.767) 9.686 31.886 ( -5.187 0.973 -0.705) 5.324 32.604 ( 2.305 0.188 6.842) 7.222 32.793 ( 14.974 -1.638 -13.980) 20.551 35.716 ( -2.441 -0.538 -3.962) 4.685 35.939 ( 4.277 -1.393 -2.359) 5.079 36.487 ( -3.323 1.759 -0.937) 3.874 36.667 ( -1.352 0.687 6.233) 6.415 51.557 ( 4.021 2.089 -12.281) 13.090 52.130 ( -18.291 -3.220 10.000) 21.093 54.534 ( 5.670 3.150 4.074) 7.659 55.107 ( 18.339 1.108 4.912) 19.017 55.698 ( 5.948 -1.833 -8.004) 10.139 56.419 ( -9.185 0.826 -0.514) 9.236 58.036 ( -6.652 0.012 -4.688) 8.138 58.198 ( 5.692 -0.138 10.897) 12.295 60.091 ( 7.946 2.175 -4.711) 9.490 60.687 ( -5.144 -3.477 1.960) 6.510 ======================= Grid point 629 (313/355) ======================= q-point: ( 0.42 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.611 ( 17.252 -0.495 -4.624) 17.868 4.938 ( 13.587 18.403 1.048) 22.899 5.314 ( 21.911 5.206 7.637) 23.781 6.796 ( 13.929 6.135 7.938) 17.166 7.449 ( -17.874 -0.530 41.759) 45.426 7.964 ( 25.190 1.525 -40.663) 47.857 9.473 ( 5.275 15.357 0.503) 16.246 9.579 ( -6.895 0.667 3.438) 7.733 10.202 ( -8.138 -11.973 0.055) 14.477 10.746 ( 9.807 3.370 -6.243) 12.104 11.604 ( 4.962 1.389 -6.455) 8.260 12.578 ( -5.181 -1.579 -0.467) 5.436 13.046 ( 21.003 -1.692 24.920) 32.635 14.280 ( 5.122 -3.068 -1.430) 6.140 16.828 ( -8.587 6.078 3.143) 10.980 17.619 ( 18.438 0.888 -6.769) 19.661 18.622 ( -6.367 14.069 -8.656) 17.703 19.373 ( -1.944 -12.333 -15.831) 20.162 19.896 ( 3.808 1.578 8.225) 9.200 20.349 ( 6.148 -11.463 13.059) 18.432 21.432 ( -11.891 3.050 -6.980) 14.122 21.853 ( -3.525 3.749 0.851) 5.216 29.404 ( 8.868 -2.127 5.769) 10.791 30.189 ( 0.661 4.576 -1.904) 5.001 31.300 ( -10.019 -3.991 4.427) 11.658 31.742 ( -9.964 1.100 -3.726) 10.695 32.683 ( 1.065 -0.442 7.908) 7.991 32.933 ( 15.550 -0.152 -14.561) 21.304 35.670 ( -2.699 -1.415 -1.831) 3.556 35.990 ( 2.510 -1.920 -3.510) 4.723 36.409 ( -2.877 2.429 -0.530) 3.802 36.654 ( -3.025 1.904 4.511) 5.755 51.527 ( 5.297 2.503 -7.468) 9.491 52.017 ( -13.470 -6.105 7.703) 16.675 54.606 ( 7.241 5.807 5.182) 10.630 55.373 ( 16.881 4.380 4.823) 18.095 55.755 ( 4.074 -2.397 -4.780) 6.722 56.309 ( -4.927 -0.880 0.601) 5.041 57.902 ( -6.490 0.510 -5.691) 8.647 58.309 ( 1.402 -0.543 5.612) 5.810 60.135 ( 6.647 4.393 -2.302) 8.293 60.684 ( -4.846 -5.627 1.912) 7.669 ======================= Grid point 630 (314/355) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.721 ( 0.793 5.748 10.900) 12.348 5.037 ( 28.505 19.704 -0.667) 34.659 5.522 ( 11.557 9.708 6.252) 16.337 6.916 ( 6.743 10.190 11.977) 17.110 7.458 ( -16.336 4.968 35.561) 39.447 8.025 ( 24.138 -0.235 -42.386) 48.778 9.257 ( -7.843 13.167 5.768) 16.375 9.549 ( -1.033 3.492 6.270) 7.251 10.313 ( 1.647 -9.822 1.928) 10.144 10.740 ( 6.716 9.020 -6.805) 13.145 11.594 ( 1.398 3.549 -2.779) 4.720 12.514 ( -6.576 -4.049 -1.722) 7.912 13.447 ( 15.179 7.734 19.010) 25.526 14.521 ( 15.614 -7.740 8.166) 19.245 16.572 ( -12.489 10.293 -2.002) 16.307 17.822 ( 19.724 6.978 -6.735) 21.979 18.200 ( -23.775 2.347 -4.102) 24.240 19.475 ( 8.123 -8.799 -14.867) 19.090 20.026 ( 5.592 -4.955 3.467) 8.236 20.647 ( 4.929 -8.730 10.735) 14.689 21.178 ( -8.927 3.923 -6.953) 11.976 21.751 ( -5.461 3.608 2.197) 6.904 29.629 ( 12.698 -2.503 4.834) 13.816 30.172 ( 5.564 3.229 -2.249) 6.815 31.216 ( -12.153 -4.190 3.787) 13.401 31.535 ( -12.671 0.112 -4.878) 13.578 32.746 ( -1.136 0.115 9.225) 9.295 33.035 ( 14.623 2.426 -16.311) 22.040 35.646 ( -2.465 -1.981 0.178) 3.168 35.998 ( -0.565 -1.503 -4.795) 5.057 36.347 ( -0.679 3.062 0.346) 3.155 36.606 ( -3.725 1.967 3.158) 5.265 51.552 ( 5.445 1.202 -1.734) 5.840 51.980 ( -8.887 -7.747 4.307) 12.551 54.681 ( 8.792 7.531 5.626) 12.871 55.527 ( 10.047 6.306 -0.626) 11.879 55.787 ( 0.788 3.559 4.585) 5.857 56.344 ( 3.491 -6.679 0.253) 7.541 57.754 ( -5.646 1.432 -7.111) 9.192 58.344 ( -2.213 -2.356 2.194) 3.907 60.152 ( 5.861 5.780 -0.976) 8.290 60.693 ( -5.202 -5.458 1.688) 7.726 ======================= Grid point 631 (315/355) ======================= q-point: (-0.42 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( 3.789 11.229 18.548) 22.011 5.152 ( 20.617 26.945 5.685) 34.401 5.565 ( 7.285 6.421 -0.917) 9.754 6.844 ( -2.481 19.067 -0.874) 19.248 7.337 ( -21.449 10.336 41.014) 47.424 8.084 ( 20.599 -2.246 -41.084) 46.014 9.105 ( 0.733 12.477 12.702) 17.820 9.537 ( -2.261 0.665 4.466) 5.049 10.463 ( 6.445 -1.972 1.416) 6.887 10.668 ( 3.352 9.200 -2.207) 10.037 11.530 ( -0.579 5.658 1.527) 5.889 12.441 ( -8.487 -5.077 -5.643) 11.386 13.607 ( 10.812 14.096 16.076) 23.959 14.889 ( 11.915 -0.979 5.972) 13.364 16.269 ( -6.085 8.994 -1.393) 10.948 17.612 ( -9.801 17.305 -13.690) 24.144 18.225 ( 4.750 -16.509 10.813) 20.299 19.556 ( 3.920 -6.231 -13.706) 15.558 20.195 ( 4.119 -7.849 -0.437) 8.875 20.726 ( -10.034 -1.534 -0.286) 10.155 21.112 ( 9.569 0.435 0.887) 9.620 21.652 ( -6.503 0.627 2.704) 7.071 29.890 ( 15.160 -2.091 3.218) 15.638 30.245 ( 9.037 0.512 -1.495) 9.174 31.096 ( -13.813 -3.794 2.895) 14.614 31.316 ( -13.600 -1.591 -4.701) 14.478 32.766 ( -3.636 2.244 10.255) 11.110 33.070 ( 12.393 4.957 -17.852) 22.290 35.647 ( -1.617 -1.987 1.716) 3.083 35.943 ( -3.182 -0.286 -5.360) 6.240 36.326 ( 2.132 3.250 1.154) 4.055 36.548 ( -4.019 1.271 1.941) 4.641 51.632 ( 4.233 -1.186 4.100) 6.011 51.994 ( -4.744 -8.691 -0.269) 9.905 54.763 ( 10.248 8.493 5.643) 14.456 55.500 ( -1.516 5.325 -4.496) 7.132 55.780 ( 3.436 10.016 10.494) 14.908 56.495 ( 3.488 -6.013 -3.790) 7.917 57.654 ( 1.024 -0.761 -4.280) 4.466 58.339 ( -5.521 -4.939 0.355) 7.416 60.169 ( 6.752 5.969 0.589) 9.031 60.670 ( -6.832 -3.717 0.495) 7.793 ======================= Grid point 632 (316/355) ======================= q-point: (-0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( 8.432 11.830 20.534) 25.154 5.099 ( 8.379 26.843 15.094) 31.915 5.570 ( 12.176 11.423 -10.800) 19.884 6.325 ( -19.167 32.470 -9.267) 38.827 7.220 ( -19.276 9.011 43.997) 48.872 8.083 ( 14.986 1.728 -35.604) 38.668 9.157 ( 10.815 8.124 10.853) 17.342 9.523 ( -4.764 -2.939 1.395) 5.769 10.536 ( 13.290 10.234 -7.479) 18.366 10.573 ( -7.533 7.331 7.872) 13.133 11.538 ( 4.687 1.712 9.770) 10.970 12.292 ( -10.974 -3.991 -11.505) 16.393 13.702 ( 10.914 15.906 18.074) 26.434 14.772 ( -9.968 15.792 -13.997) 23.338 16.299 ( 12.563 3.356 11.251) 17.195 17.174 ( -12.778 12.372 -11.700) 21.290 18.659 ( 10.234 -20.428 16.057) 27.926 19.551 ( -2.455 -8.814 -15.311) 17.837 20.291 ( -4.647 -5.752 3.458) 8.163 20.547 ( -3.085 5.358 -7.657) 9.842 21.322 ( 11.936 -3.445 2.476) 12.668 21.592 ( -6.384 -3.836 1.561) 7.610 30.156 ( 15.684 -1.461 1.504) 15.824 30.379 ( 6.711 -2.164 -0.113) 7.052 30.961 ( -11.034 -3.490 1.518) 11.671 31.123 ( -12.432 -3.166 -3.454) 13.285 32.727 ( -5.748 5.233 11.117) 13.565 33.030 ( 9.305 7.326 -18.132) 21.657 35.669 ( -0.224 -1.528 2.599) 3.023 35.854 ( -3.573 0.524 -4.625) 5.868 36.343 ( 3.982 3.054 1.440) 5.221 36.484 ( -4.240 0.894 0.560) 4.369 51.753 ( 0.595 -4.525 10.157) 11.135 52.043 ( 0.037 -9.238 -6.378) 11.226 54.859 ( 11.728 8.614 5.354) 15.505 55.317 ( -9.674 6.820 -2.192) 12.037 55.801 ( 6.653 11.103 9.807) 16.240 56.425 ( -6.574 4.240 -12.700) 14.916 57.813 ( 12.834 -8.580 3.132) 15.753 58.306 ( -8.809 -7.408 -1.024) 11.555 60.225 ( 8.073 4.968 3.303) 10.039 60.585 ( -8.352 -1.734 -2.166) 8.801 ======================= Grid point 633 (317/355) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.962 ( 4.882 12.730 21.292) 25.283 5.016 ( 2.948 18.715 17.888) 26.056 5.420 ( -11.005 28.214 -10.754) 32.137 5.547 ( 5.536 31.883 -18.452) 37.251 7.163 ( -17.525 6.926 44.972) 48.760 7.991 ( 13.428 8.365 -32.597) 36.233 9.336 ( 12.021 2.170 6.059) 13.635 9.459 ( -7.259 -1.553 -4.101) 8.481 10.355 ( -13.468 10.213 8.886) 19.096 10.546 ( 13.956 11.449 -9.186) 20.254 11.750 ( 7.737 -2.430 16.554) 18.434 12.083 ( -8.006 -3.248 -16.193) 18.354 13.799 ( 10.631 17.007 20.515) 28.690 14.221 ( -14.353 19.860 -20.440) 31.909 16.526 ( 13.520 9.365 12.838) 20.864 16.784 ( -10.710 10.554 -12.528) 19.571 19.171 ( 5.526 -20.996 18.536) 28.548 19.515 ( -5.855 -14.850 -15.298) 22.109 20.238 ( -11.093 0.040 10.093) 14.997 20.474 ( 9.470 2.457 -12.463) 15.844 21.519 ( -1.357 -6.206 3.561) 7.282 21.590 ( 3.980 -5.490 -3.446) 7.606 30.380 ( -0.775 -2.240 1.374) 2.740 30.401 ( 1.576 -2.234 -0.809) 2.851 30.967 ( 5.004 -4.389 1.104) 6.747 30.996 ( -6.151 -3.769 -1.838) 7.445 32.632 ( -7.183 8.037 12.072) 16.184 32.923 ( 6.699 9.508 -16.595) 20.265 35.714 ( 1.603 -1.093 2.873) 3.467 35.774 ( -2.588 0.559 -3.046) 4.036 36.381 ( 2.416 2.379 1.770) 3.825 36.413 ( -1.544 1.417 -1.401) 2.520 51.882 ( -6.070 -8.992 13.802) 17.556 52.134 ( 6.226 -9.082 -11.085) 15.624 54.976 ( 10.507 6.990 5.023) 13.582 55.042 ( -11.269 8.935 -1.416) 14.451 55.834 ( 5.584 12.040 11.047) 17.268 56.106 ( -6.792 11.780 -15.554) 20.660 58.170 ( 8.244 -10.819 4.761) 14.411 58.255 ( -5.646 -10.136 -3.477) 12.112 60.311 ( 0.485 2.368 8.183) 8.532 60.469 ( -0.350 -0.078 -7.352) 7.360 ======================= Grid point 634 (318/355) ======================= q-point: (-0.17 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( -31.385 41.004 5.230) 51.900 4.938 ( -3.361 5.442 2.615) 6.910 5.169 ( 9.406 7.100 -0.251) 11.787 5.381 ( 27.662 36.859 -8.845) 46.926 7.178 ( -13.886 4.068 44.694) 46.978 7.846 ( 15.009 11.625 -32.358) 37.516 9.183 ( -15.447 7.919 -9.692) 19.881 9.568 ( 12.523 -0.658 2.404) 12.769 10.146 ( -10.359 2.699 7.744) 13.212 10.554 ( 12.748 9.365 -8.289) 17.859 11.791 ( -11.501 -3.827 -5.521) 13.320 12.138 ( 14.251 -2.430 5.336) 15.410 13.639 ( -13.494 15.653 -12.539) 24.173 13.954 ( 15.773 17.840 18.786) 30.331 16.412 ( -9.797 12.273 -14.102) 21.106 16.624 ( 8.925 13.233 9.116) 18.381 19.439 ( -7.452 -8.747 11.517) 16.268 19.525 ( -7.021 -14.555 -11.348) 19.746 20.176 ( -8.588 -0.738 10.054) 13.243 20.638 ( 17.946 -10.528 -7.557) 22.136 21.489 ( -9.640 -6.392 -1.729) 11.696 21.759 ( 7.716 -6.019 -2.313) 10.056 30.175 ( -19.005 -0.613 0.382) 19.019 30.505 ( -2.876 -6.102 -1.371) 6.883 31.024 ( 7.777 -1.541 1.352) 8.043 31.192 ( 13.032 -5.460 0.612) 14.143 32.500 ( -7.713 9.959 12.945) 18.062 32.786 ( 5.876 10.676 -13.348) 18.074 35.726 ( -1.178 0.378 -1.228) 1.743 35.786 ( 3.724 -1.297 2.813) 4.844 36.311 ( -4.158 1.928 -1.874) 4.951 36.454 ( 5.966 1.908 0.419) 6.277 51.966 ( -10.234 -12.414 7.613) 17.799 52.293 ( 8.312 -9.373 -6.282) 14.015 54.705 ( -14.697 9.076 -1.120) 17.310 55.135 ( 12.790 4.485 3.403) 13.974 55.650 ( -8.481 17.197 -3.473) 19.487 55.966 ( 12.066 11.723 4.049) 17.303 58.127 ( -15.649 -9.869 -1.964) 18.605 58.513 ( 9.698 -9.017 -2.007) 13.394 60.207 ( -11.419 -0.348 -0.363) 11.430 60.571 ( 12.445 -0.001 -0.059) 12.446 ======================= Grid point 635 (319/355) ======================= q-point: (-0.08 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( -18.991 29.110 -0.065) 34.757 4.791 ( -0.077 3.174 -21.391) 21.625 5.150 ( -0.420 8.695 -2.452) 9.044 5.347 ( 29.012 35.838 6.211) 46.525 7.274 ( -5.357 1.175 30.944) 31.426 7.737 ( 14.447 10.064 -21.874) 28.079 8.742 ( -13.627 11.256 -14.795) 23.050 9.729 ( 8.122 3.405 2.344) 9.114 10.101 ( -3.910 -4.810 4.156) 7.463 10.591 ( 11.195 4.927 -6.058) 13.649 11.643 ( -7.973 -3.671 -6.199) 10.746 12.390 ( 9.846 -0.931 5.444) 11.289 13.228 ( -10.394 10.687 -8.931) 17.378 14.194 ( 22.396 13.157 23.220) 34.840 16.001 ( -10.344 14.708 -13.973) 22.772 16.642 ( 8.344 11.261 4.288) 14.656 19.330 ( -14.702 4.443 4.148) 15.909 19.554 ( -6.745 -16.935 -7.129) 19.573 20.103 ( -6.621 3.941 7.114) 10.487 21.048 ( 12.013 -18.651 -2.539) 22.330 21.398 ( -6.877 -5.975 -5.692) 10.742 21.904 ( 4.506 -5.855 -2.344) 7.751 29.890 ( -19.848 0.595 0.963) 19.880 30.483 ( -9.022 -8.796 -1.248) 12.662 31.226 ( 13.305 -1.166 3.241) 13.743 31.441 ( 11.965 -3.777 0.077) 12.547 32.363 ( -6.557 10.158 13.324) 17.992 32.672 ( 6.833 10.030 -9.767) 15.578 35.711 ( 0.300 0.458 0.119) 0.560 35.895 ( 5.489 -2.278 2.727) 6.538 36.213 ( -2.958 2.296 -3.228) 4.944 36.523 ( 5.543 1.452 0.463) 5.748 51.984 ( -10.245 -12.363 -2.233) 16.211 52.496 ( 4.375 -10.358 2.740) 11.573 54.412 ( -9.863 7.473 -0.429) 12.382 55.162 ( -9.401 9.151 0.007) 13.119 55.418 ( 12.863 9.781 -5.216) 16.981 56.091 ( 15.700 11.758 13.212) 23.650 57.980 ( -17.541 -9.204 -3.121) 20.053 58.648 ( 2.168 -3.702 -5.618) 7.069 60.057 ( -7.498 -1.935 -5.006) 9.221 60.747 ( 9.333 -0.265 1.791) 9.507 ======================= Grid point 640 (320/355) ======================= q-point: ( 0.33 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( 15.729 -0.000 -4.463) 16.350 5.193 ( 8.710 -0.000 -0.024) 8.710 5.349 ( 29.038 -0.000 5.137) 29.489 6.894 ( 24.887 -0.000 3.147) 25.085 7.410 ( -24.424 0.000 44.651) 50.895 7.992 ( 25.198 -0.000 -40.580) 47.766 9.607 ( -7.131 0.000 8.330) 10.965 9.730 ( 17.517 -0.000 -5.552) 18.375 9.985 ( -19.330 0.000 4.921) 19.946 10.773 ( 13.477 -0.000 -6.102) 14.794 11.625 ( 6.872 -0.000 -10.504) 12.552 12.557 ( -5.018 0.000 -1.314) 5.187 13.017 ( 22.359 -0.000 29.139) 36.729 14.245 ( 3.604 -0.000 -2.343) 4.299 16.907 ( -7.344 0.000 5.892) 9.415 17.620 ( 17.430 -0.000 -8.010) 19.182 18.949 ( 19.493 -0.000 -14.319) 24.187 19.054 ( -28.291 0.000 -17.588) 33.313 19.996 ( -1.129 0.000 7.571) 7.655 20.147 ( 11.851 -0.000 18.615) 22.067 21.467 ( -12.750 0.000 -7.074) 14.581 21.903 ( -3.429 0.000 0.764) 3.513 29.378 ( 8.887 -0.000 6.129) 10.796 30.251 ( -1.088 0.000 -1.412) 1.783 31.247 ( -9.491 0.000 4.821) 10.645 31.756 ( -10.381 0.000 -4.398) 11.275 32.676 ( 0.545 -0.000 8.523) 8.540 32.929 ( 17.573 -0.000 -15.090) 23.163 35.653 ( -2.698 0.000 -2.064) 3.397 35.964 ( 2.868 -0.000 -3.555) 4.568 36.440 ( -2.985 0.000 -0.950) 3.133 36.679 ( -3.186 0.000 5.210) 6.107 51.567 ( 7.389 -0.000 -12.497) 14.518 51.934 ( -16.152 0.000 12.465) 20.403 54.685 ( 6.920 -0.000 6.737) 9.658 55.423 ( 18.299 -0.000 4.999) 18.969 55.719 ( 6.091 -0.000 -7.543) 9.695 56.303 ( -7.320 0.000 1.194) 7.416 57.909 ( -6.351 0.000 -4.703) 7.902 58.302 ( 0.950 -0.000 4.843) 4.935 60.199 ( 8.059 -0.000 -2.766) 8.520 60.603 ( -5.385 0.000 2.691) 6.020 ======================= Grid point 641 (321/355) ======================= q-point: ( 0.42 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.768 ( 7.620 0.087 5.960) 9.675 5.369 ( 20.025 7.367 3.568) 21.633 5.700 ( 16.323 3.950 2.213) 16.940 7.157 ( 9.685 9.965 10.124) 17.192 7.418 ( -14.705 -6.657 32.291) 36.101 8.048 ( 23.098 1.085 -42.629) 48.497 9.472 ( -11.680 5.775 8.870) 15.762 9.769 ( 3.359 11.170 8.357) 14.348 10.039 ( 3.406 -11.928 2.972) 12.756 10.896 ( 10.892 3.248 -6.671) 13.179 11.650 ( 6.143 1.189 -8.038) 10.186 12.439 ( -9.218 -1.828 -2.571) 9.743 13.574 ( 23.962 2.711 28.947) 37.676 14.370 ( 11.428 -3.793 4.215) 12.757 16.771 ( -11.304 5.202 2.547) 12.701 17.774 ( 4.381 -3.998 -2.996) 6.645 18.477 ( -14.441 12.825 -21.005) 28.535 19.172 ( 11.551 -12.401 -18.484) 25.078 20.024 ( 0.876 1.860 8.133) 8.389 20.477 ( 9.717 -4.546 15.189) 18.596 21.229 ( -10.713 0.849 -7.140) 12.903 21.834 ( -5.570 2.258 2.037) 6.346 29.585 ( 12.746 -0.966 5.809) 14.041 30.240 ( 3.073 1.838 -1.849) 4.030 31.139 ( -11.463 -1.878 4.498) 12.456 31.540 ( -13.292 0.137 -6.591) 14.837 32.742 ( -0.599 -0.204 10.006) 10.026 33.069 ( 16.438 0.618 -16.389) 23.220 35.613 ( -2.354 -0.724 0.326) 2.484 35.965 ( 0.338 -0.887 -4.816) 4.908 36.399 ( -0.886 1.137 -0.160) 1.450 36.648 ( -4.279 1.094 3.685) 5.752 51.596 ( 8.275 1.889 -9.085) 12.433 51.834 ( -12.174 -3.949 11.329) 17.093 54.824 ( 7.933 3.581 8.011) 11.829 55.628 ( 7.464 2.101 -3.259) 8.411 55.827 ( 12.797 0.250 2.353) 13.013 56.240 ( -3.539 -1.952 2.784) 4.908 57.780 ( -5.790 0.646 -5.638) 8.107 58.300 ( -3.626 -1.064 -0.391) 3.799 60.273 ( 6.824 3.679 -1.247) 7.852 60.573 ( -4.679 -3.749 3.039) 6.722 ======================= Grid point 642 (322/355) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( 6.752 3.554 13.138) 15.193 5.627 ( 24.301 11.444 5.861) 27.493 5.751 ( 2.345 9.100 -0.297) 9.402 7.154 ( -4.343 8.306 12.344) 15.500 7.455 ( -15.151 -0.431 21.322) 26.161 8.063 ( 21.393 0.267 -43.334) 48.328 9.356 ( -1.473 9.818 14.095) 17.240 9.731 ( 1.621 12.169 8.635) 15.009 10.277 ( 5.576 -10.922 7.098) 14.169 10.913 ( 8.274 8.383 -7.440) 13.931 11.651 ( 3.341 3.840 -3.726) 6.308 12.313 ( -10.402 -4.941 -4.460) 12.350 13.949 ( 16.116 13.778 23.323) 31.520 14.757 ( 20.035 -8.935 11.287) 24.671 16.498 ( -12.094 9.583 -2.182) 15.584 17.685 ( -27.793 -10.997 -6.455) 30.578 18.194 ( 17.026 13.439 -10.194) 23.967 19.310 ( 4.220 -12.161 -19.625) 23.470 20.105 ( 3.487 -1.254 6.956) 7.882 20.647 ( -5.350 -3.460 4.987) 8.091 21.129 ( 5.475 0.437 -1.601) 5.721 21.718 ( -7.420 3.562 2.535) 8.612 29.844 ( 15.164 -1.509 4.905) 16.009 30.278 ( 6.628 1.643 -1.801) 7.062 31.016 ( -13.094 -2.648 4.152) 13.989 31.290 ( -14.090 -0.626 -7.237) 15.852 32.796 ( -2.375 0.495 11.506) 11.759 33.154 ( 13.564 2.188 -17.914) 22.576 35.607 ( -1.343 -1.221 2.415) 3.021 35.927 ( -1.975 -0.867 -5.678) 6.073 36.388 ( 1.633 1.838 0.488) 2.507 36.587 ( -4.565 1.616 2.491) 5.445 51.636 ( 3.847 1.465 0.652) 4.168 51.822 ( -4.540 -5.881 2.732) 7.916 54.943 ( 8.693 6.003 8.111) 13.319 55.606 ( 0.123 3.284 -6.446) 7.235 55.982 ( 6.954 6.965 8.320) 12.888 56.329 ( 5.091 -7.077 1.659) 8.875 57.660 ( -2.736 0.825 -5.634) 6.317 58.232 ( -7.463 -3.661 -3.215) 8.913 60.304 ( 6.028 5.176 -0.128) 7.946 60.577 ( -4.633 -3.982 2.398) 6.562 ======================= Grid point 643 (323/355) ======================= q-point: (-0.42 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.065 ( 9.149 7.287 14.916) 18.955 5.565 ( -5.607 13.589 2.319) 14.882 5.896 ( 24.205 13.649 5.176) 28.266 6.913 ( -12.742 16.295 -10.228) 23.076 7.345 ( -23.742 1.116 37.607) 44.488 8.079 ( 20.374 -1.143 -41.215) 45.990 9.371 ( 6.096 10.026 12.070) 16.834 9.635 ( -1.645 11.707 5.055) 12.858 10.535 ( 5.462 -5.484 10.941) 13.402 10.854 ( 6.439 10.544 -6.998) 14.199 11.630 ( 3.767 4.921 2.275) 6.601 12.173 ( -11.952 -5.675 -8.317) 15.628 14.118 ( 13.516 18.627 23.011) 32.544 15.058 ( 4.095 6.253 -2.282) 7.815 16.327 ( 4.511 0.961 4.567) 6.491 17.291 ( -26.089 -4.423 -11.550) 28.873 18.382 ( 17.263 -0.917 5.823) 18.242 19.288 ( -7.232 -11.097 -20.207) 24.161 20.228 ( 2.804 -1.657 7.368) 8.056 20.568 ( -6.491 -2.757 -3.667) 7.949 21.287 ( 12.880 -0.007 0.979) 12.917 21.579 ( -8.518 2.404 2.292) 9.143 30.119 ( 15.290 -1.453 3.496) 15.752 30.359 ( 6.304 0.115 -1.365) 6.451 30.885 ( -12.154 -2.758 3.796) 13.028 31.062 ( -11.698 -1.876 -6.539) 13.533 32.814 ( -4.664 2.244 12.772) 13.781 33.163 ( 10.000 3.917 -18.546) 21.432 35.635 ( 0.116 -1.266 3.704) 3.916 35.857 ( -2.759 -0.278 -5.761) 6.394 36.406 ( 3.427 2.145 0.686) 4.100 36.515 ( -4.420 1.591 1.523) 4.938 51.679 ( -3.971 -1.817 10.974) 11.811 51.873 ( 4.688 -5.261 -7.912) 10.595 55.049 ( 8.930 6.928 7.560) 13.598 55.474 ( -5.067 5.936 -5.176) 9.365 56.030 ( 5.072 8.152 9.454) 13.475 56.443 ( 0.465 -2.206 -4.964) 5.452 57.669 ( 6.658 -3.588 -0.367) 7.572 58.134 ( -10.570 -6.607 -4.371) 13.209 60.340 ( 6.340 4.471 1.401) 7.883 60.546 ( -5.729 -1.634 0.374) 5.969 ======================= Grid point 644 (324/355) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.208 ( 9.919 9.119 12.427) 18.329 5.327 ( -7.315 10.840 1.526) 13.166 6.058 ( 15.797 22.458 7.245) 28.397 6.302 ( -16.256 26.144 -15.719) 34.567 7.266 ( -23.360 1.372 42.612) 48.614 8.104 ( 19.887 0.898 -38.381) 43.237 9.439 ( 7.979 7.021 6.172) 12.290 9.490 ( -5.008 7.022 0.904) 8.672 10.598 ( -7.964 7.778 9.574) 14.683 10.795 ( 10.347 8.301 -8.874) 15.959 11.726 ( 4.844 0.301 12.616) 13.517 11.996 ( -6.841 -3.984 -13.565) 15.706 14.238 ( 10.460 19.542 25.120) 33.501 14.705 ( -11.219 19.938 -19.737) 30.215 16.635 ( 19.553 -1.204 13.491) 23.786 16.904 ( -19.760 -1.308 -12.560) 23.451 18.754 ( 11.423 -11.251 16.322) 22.879 19.122 ( -14.697 -14.630 -19.734) 28.626 20.295 ( -2.902 1.953 11.065) 11.605 20.522 ( 4.492 -0.723 -10.970) 11.876 21.431 ( -4.374 -0.469 3.461) 5.597 21.498 ( 6.677 -1.834 -2.956) 7.529 30.339 ( 7.495 -1.258 1.584) 7.763 30.368 ( -5.861 -0.590 -1.187) 6.009 30.852 ( 0.667 -4.632 3.521) 5.857 30.933 ( -2.352 -1.993 -4.345) 5.328 32.781 ( -6.925 4.490 13.755) 16.041 33.101 ( 6.790 5.527 -17.672) 19.722 35.689 ( 1.649 -0.955 4.203) 4.615 35.783 ( -2.153 0.077 -4.947) 5.395 36.434 ( -1.419 2.032 1.326) 2.811 36.451 ( 1.830 1.690 -0.360) 2.517 51.711 ( -9.173 -5.352 13.617) 17.268 51.971 ( 9.886 -4.861 -11.954) 16.257 55.139 ( 5.357 6.421 7.141) 10.996 55.256 ( -6.127 8.643 -4.436) 11.486 56.080 ( 5.408 8.508 10.839) 14.803 56.313 ( -4.966 5.735 -11.781) 14.012 57.923 ( 12.083 -9.225 4.598) 15.882 58.024 ( -11.587 -8.906 -5.105) 15.480 60.377 ( -2.840 2.808 5.601) 6.879 60.482 ( 2.850 0.956 -4.677) 5.560 ======================= Grid point 645 (325/355) ======================= q-point: (-0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( -6.912 8.127 -1.990) 10.853 5.310 ( -5.047 17.184 13.478) 22.414 5.413 ( -15.671 26.590 -15.008) 34.320 6.177 ( 22.058 28.054 2.821) 35.799 7.235 ( -20.333 0.218 44.436) 48.868 8.078 ( 18.702 6.930 -37.877) 42.807 9.326 ( -7.516 5.297 -4.171) 10.097 9.525 ( 7.050 0.549 1.116) 7.159 10.351 ( -13.936 12.456 9.452) 20.945 10.784 ( 9.757 7.554 -11.260) 16.705 11.703 ( -11.943 -3.308 -3.344) 12.836 12.096 ( 15.842 -1.563 4.767) 16.617 14.048 ( -16.396 18.365 -11.200) 27.047 14.414 ( 14.026 20.280 15.396) 29.070 16.569 ( -13.745 1.063 -14.172) 19.771 16.934 ( 13.941 10.582 11.976) 21.207 18.962 ( -13.872 -21.883 -10.831) 28.082 19.199 ( 3.638 -14.882 14.797) 21.299 20.252 ( -5.629 4.540 8.744) 11.347 20.568 ( 12.292 0.879 -9.965) 15.848 21.349 ( -9.585 -4.527 -0.098) 10.601 21.641 ( 8.586 -3.046 -3.238) 9.669 30.175 ( -16.148 0.469 -0.296) 16.158 30.390 ( -5.267 -3.418 -1.098) 6.374 30.984 ( 10.036 -2.029 -0.666) 10.261 31.062 ( 12.323 -5.111 2.217) 13.524 32.698 ( -8.637 6.519 14.445) 18.048 32.995 ( 4.903 6.789 -15.319) 17.459 35.728 ( -1.014 -0.209 -2.931) 3.108 35.765 ( 3.235 -0.544 3.829) 5.043 36.359 ( -3.865 2.070 -0.224) 4.390 36.496 ( 5.302 1.683 -0.486) 5.584 51.727 ( -10.540 -7.697 10.078) 16.489 52.109 ( 10.396 -6.007 -10.068) 15.670 54.932 ( -13.132 9.762 -1.547) 16.436 55.257 ( 8.406 5.349 3.564) 10.582 55.997 ( -6.266 11.727 -6.039) 14.604 56.199 ( 8.419 7.580 5.734) 12.697 57.892 ( -14.377 -9.288 -4.197) 17.624 58.273 ( 12.012 -10.467 2.102) 16.071 60.242 ( -10.742 2.936 1.761) 11.274 60.576 ( 10.695 0.261 -1.498) 10.803 ======================= Grid point 646 (326/355) ======================= q-point: (-0.17 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( -30.822 37.000 -0.583) 48.160 4.897 ( -1.645 6.075 -13.037) 14.476 5.365 ( 3.736 8.973 -2.224) 9.971 6.149 ( 18.288 29.577 5.592) 35.221 7.282 ( -15.645 -1.240 41.603) 44.465 7.974 ( 17.612 9.912 -37.390) 42.502 9.033 ( -10.652 12.268 -10.382) 19.281 9.664 ( 6.115 -6.503 0.413) 8.936 10.122 ( -8.421 7.232 8.928) 14.245 10.754 ( 8.357 6.052 -10.493) 14.717 11.564 ( -6.435 -2.313 -5.308) 8.656 12.373 ( 12.744 -0.828 6.608) 14.379 13.533 ( -13.784 14.845 -11.966) 23.528 14.539 ( 14.143 14.942 19.145) 28.103 16.263 ( -8.739 6.153 -15.042) 18.453 16.964 ( 4.251 15.801 9.507) 18.924 19.016 ( -6.669 -24.363 -13.643) 28.709 19.388 ( -8.259 -3.300 14.147) 16.711 20.197 ( -5.470 1.957 11.052) 12.485 20.746 ( 16.851 -4.523 -6.307) 18.552 21.257 ( -9.206 -5.609 -3.956) 11.483 21.766 ( 5.324 -4.731 -3.216) 7.815 29.916 ( -17.331 1.417 0.775) 17.406 30.312 ( -9.456 -5.336 -2.018) 11.044 31.191 ( 14.012 -1.764 0.488) 14.131 31.333 ( 13.346 -4.955 1.660) 14.332 32.581 ( -9.253 7.762 14.754) 19.067 32.883 ( 4.684 7.289 -12.118) 14.897 35.713 ( 0.376 -0.445 -1.248) 1.377 35.857 ( 4.409 -0.868 3.940) 5.976 36.274 ( -2.934 2.704 -1.366) 4.217 36.551 ( 5.123 1.093 -0.993) 5.331 51.727 ( -9.978 -8.874 4.422) 14.067 52.276 ( 8.386 -7.828 -5.440) 12.696 54.615 ( -11.845 9.450 -1.541) 15.231 55.304 ( 0.463 4.715 2.928) 5.569 55.725 ( 0.379 13.087 -9.764) 16.333 56.313 ( 9.539 6.495 11.688) 16.426 57.764 ( -13.609 -8.194 -3.388) 16.243 58.516 ( 6.166 -7.132 -2.491) 9.752 60.064 ( -9.032 2.430 -0.177) 9.355 60.731 ( 9.728 -1.119 -0.022) 9.793 ======================= Grid point 647 (327/355) ======================= q-point: (-0.08 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -18.132 26.481 -0.831) 32.104 4.724 ( 3.798 5.650 -21.181) 22.248 5.169 ( -8.070 11.202 -8.664) 16.300 6.122 ( 18.807 26.284 5.746) 32.826 7.360 ( -14.862 -3.582 35.133) 38.315 7.863 ( 15.772 8.095 -33.390) 37.805 8.676 ( -2.897 13.582 -10.858) 17.629 9.822 ( 4.066 -3.727 0.593) 5.548 10.062 ( -0.867 -0.304 6.308) 6.375 10.755 ( 8.577 3.757 -7.337) 11.896 11.500 ( -1.907 -1.826 -3.047) 4.032 12.549 ( 6.327 1.729 4.029) 7.698 13.131 ( -12.126 10.233 -6.998) 17.341 14.717 ( 10.663 5.305 10.856) 16.115 15.984 ( 0.258 13.710 -7.165) 15.472 16.896 ( 2.654 11.014 6.168) 12.899 19.015 ( -12.349 -9.897 -15.533) 22.175 19.369 ( -4.269 -3.332 9.093) 10.583 20.173 ( -5.192 3.735 12.792) 14.302 20.959 ( -0.382 -5.166 -4.108) 6.611 21.237 ( 4.744 -10.872 -5.803) 13.205 21.863 ( 2.430 -5.537 -2.956) 6.731 29.659 ( -15.700 2.420 2.067) 16.019 30.241 ( -8.442 -7.528 -1.745) 11.445 31.417 ( 12.404 -1.882 1.486) 12.633 31.564 ( 10.035 -2.859 0.306) 10.439 32.461 ( -7.797 7.499 14.282) 17.917 32.799 ( 5.658 6.867 -9.265) 12.845 35.729 ( 1.628 -0.298 0.212) 1.668 35.964 ( 4.016 -1.682 3.191) 5.398 36.199 ( -0.596 2.864 -1.572) 3.321 36.602 ( 3.966 0.511 -1.136) 4.157 51.707 ( -8.550 -8.663 -1.399) 12.252 52.455 ( 4.358 -8.786 0.426) 9.817 54.371 ( -6.931 6.227 -0.263) 9.321 55.126 ( -10.645 10.628 -1.964) 15.170 55.637 ( 10.148 6.863 -7.585) 14.409 56.473 ( 7.646 2.941 12.923) 15.301 57.656 ( -9.110 -4.858 -0.601) 10.342 58.580 ( -0.545 -2.398 -6.452) 6.904 59.939 ( -4.420 0.472 -1.781) 4.789 60.865 ( 6.310 -0.614 0.487) 6.358 ======================= Grid point 653 (328/355) ======================= q-point: ( 0.42 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.951 ( 8.765 -0.000 11.942) 14.813 5.754 ( 21.285 -0.000 8.517) 22.926 5.880 ( 5.911 -0.000 -4.963) 7.719 7.284 ( -24.349 0.000 41.589) 48.193 7.394 ( 4.171 -0.000 -9.828) 10.677 8.073 ( 20.372 -0.000 -42.972) 47.556 9.513 ( -1.341 0.000 19.037) 19.085 10.001 ( 5.271 -0.000 -3.131) 6.131 10.008 ( 4.584 -0.000 16.358) 16.989 11.017 ( 8.104 -0.000 -6.437) 10.350 11.698 ( 5.907 -0.000 -6.402) 8.711 12.246 ( -11.546 0.000 -4.788) 12.499 14.168 ( 22.730 -0.000 31.584) 38.913 14.590 ( 17.841 -0.000 7.316) 19.283 16.641 ( -13.186 0.000 1.239) 13.244 17.508 ( -25.786 0.000 -10.280) 27.760 18.417 ( 11.644 -0.000 -16.328) 20.054 19.118 ( 6.996 -0.000 -17.828) 19.152 20.092 ( 1.377 -0.000 6.693) 6.833 20.602 ( -4.310 0.000 6.937) 8.167 21.133 ( 4.576 -0.000 -1.320) 4.763 21.768 ( -7.461 0.000 2.260) 7.795 29.826 ( 15.258 -0.000 5.350) 16.169 30.301 ( 5.379 -0.000 -1.640) 5.624 30.982 ( -12.660 0.000 4.534) 13.448 31.283 ( -14.252 0.000 -8.194) 16.439 32.800 ( -1.928 0.000 11.954) 12.109 33.180 ( 14.034 -0.000 -17.962) 22.794 35.592 ( -1.241 0.000 2.617) 2.896 35.914 ( -1.490 0.000 -5.664) 5.856 36.410 ( 1.425 -0.000 0.293) 1.455 36.608 ( -4.821 0.000 2.564) 5.460 51.683 ( 11.380 -0.000 -11.632) 16.273 51.723 ( -12.073 0.000 14.916) 19.189 55.020 ( 7.414 -0.000 9.528) 12.073 55.647 ( 1.498 -0.000 -7.700) 7.844 56.097 ( 15.409 -0.000 5.410) 16.331 56.207 ( -2.026 0.000 5.278) 5.653 57.673 ( -3.653 0.000 -5.522) 6.621 58.184 ( -8.236 0.000 -4.876) 9.571 60.387 ( 6.191 -0.000 -1.104) 6.289 60.508 ( -4.183 0.000 4.025) 5.805 ======================= Grid point 654 (329/355) ======================= q-point: (-0.50 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.175 ( 10.709 2.146 13.879) 17.662 5.810 ( -3.162 6.290 -7.853) 10.547 6.114 ( 21.246 4.115 12.309) 24.896 7.159 ( -14.582 6.524 4.785) 16.677 7.292 ( -20.665 -4.650 20.786) 29.677 8.061 ( 19.050 -0.187 -42.084) 46.195 9.622 ( 4.615 8.263 15.723) 18.351 9.940 ( 1.070 11.095 0.904) 11.184 10.337 ( 10.733 -9.321 16.271) 21.606 11.025 ( 2.977 3.600 -8.270) 9.498 11.725 ( 4.317 2.330 -2.694) 5.597 12.054 ( -11.932 -3.263 -6.107) 13.796 14.550 ( 15.482 15.621 27.243) 35.013 15.020 ( 19.665 -7.840 8.713) 22.893 16.412 ( -10.505 5.036 -0.337) 11.655 17.070 ( -26.542 -9.185 -14.776) 31.736 18.502 ( 14.740 6.224 -4.739) 16.688 19.073 ( -3.584 -6.045 -17.252) 18.628 20.183 ( 4.309 -1.505 5.379) 7.055 20.493 ( -10.697 -2.176 -0.171) 10.918 21.297 ( 13.688 0.433 2.034) 13.845 21.647 ( -9.042 2.066 1.607) 9.414 30.094 ( 15.802 -0.558 4.258) 16.375 30.368 ( 4.858 0.360 -1.464) 5.087 30.836 ( -12.418 -1.143 5.053) 13.456 31.033 ( -11.346 -0.602 -8.501) 14.191 32.845 ( -3.966 0.555 13.664) 14.239 33.223 ( 10.293 1.207 -18.816) 21.482 35.613 ( 0.366 -0.502 4.192) 4.238 35.848 ( -2.179 -0.308 -6.068) 6.455 36.442 ( 3.106 0.793 0.472) 3.240 36.547 ( -4.724 0.829 1.694) 5.087 51.658 ( -9.842 -0.206 13.925) 17.053 51.786 ( 10.699 -1.927 -11.128) 15.557 55.169 ( 6.150 2.746 9.609) 11.734 55.579 ( -1.617 2.465 -7.704) 8.248 56.196 ( 3.478 5.746 7.318) 9.933 56.352 ( 6.001 -4.666 1.559) 7.760 57.626 ( 2.386 -0.504 -2.863) 3.761 58.014 ( -11.394 -2.913 -6.502) 13.438 60.433 ( 3.812 3.225 0.563) 5.025 60.501 ( -2.554 -2.156 2.006) 3.898 ======================= Grid point 655 (330/355) ======================= q-point: (-0.42 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.383 ( 11.048 5.217 11.426) 16.729 5.573 ( -8.012 9.033 -7.200) 14.058 6.432 ( 18.519 8.879 14.299) 25.025 6.741 ( -19.009 11.226 -15.866) 27.186 7.239 ( -24.259 -2.674 40.792) 47.535 8.072 ( 19.804 -2.228 -39.795) 44.506 9.662 ( 4.244 10.709 9.531) 14.951 9.777 ( -1.855 13.728 -1.734) 13.961 10.666 ( 5.994 -1.698 14.037) 15.357 10.924 ( -0.825 2.525 -11.011) 11.327 11.753 ( -0.162 1.780 5.591) 5.870 11.902 ( -4.179 -3.692 -8.472) 10.142 14.700 ( 6.682 17.943 26.386) 32.601 15.121 ( -1.899 13.400 -13.274) 18.957 16.480 ( 13.837 -9.466 12.142) 20.700 16.754 ( -18.580 -9.174 -13.680) 24.830 18.653 ( 11.237 1.053 6.878) 13.217 18.884 ( -15.604 -5.571 -15.647) 22.790 20.299 ( 0.945 -0.865 7.105) 7.220 20.430 ( 0.805 -5.611 -5.616) 7.979 21.476 ( -3.427 2.895 1.079) 4.614 21.497 ( 5.984 1.180 -0.829) 6.156 30.321 ( 9.072 -0.303 1.883) 9.271 30.364 ( -5.350 0.058 -2.350) 5.844 30.761 ( -3.709 -2.814 6.550) 8.036 30.895 ( -0.044 -1.154 -6.603) 6.703 32.854 ( -6.534 1.837 14.883) 16.358 33.194 ( 6.595 2.397 -18.355) 19.651 35.669 ( 1.907 -0.671 4.819) 5.226 35.779 ( -1.863 -0.299 -5.911) 6.205 36.476 ( -3.581 1.430 1.204) 4.040 36.487 ( 3.542 1.222 0.142) 3.749 51.621 ( -10.599 -2.345 13.772) 17.536 51.891 ( 11.646 -2.064 -12.664) 17.328 55.268 ( 3.505 4.080 9.133) 10.599 55.432 ( -4.303 5.591 -7.056) 9.978 56.241 ( 3.878 5.060 8.240) 10.418 56.390 ( -1.340 1.089 -6.076) 6.317 57.752 ( 10.088 -4.824 2.933) 11.561 57.846 ( -12.156 -5.666 -5.945) 14.670 60.432 ( -3.990 1.685 4.198) 6.032 60.505 ( 4.161 0.794 -2.846) 5.103 ======================= Grid point 656 (331/355) ======================= q-point: (-0.33 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.294 ( -8.288 8.202 -6.914) 13.556 5.523 ( 9.366 7.127 5.932) 13.180 6.074 ( -27.065 21.020 -11.618) 36.185 6.690 ( 17.945 14.463 9.432) 24.903 7.196 ( -25.373 -2.243 44.615) 51.375 8.133 ( 20.854 -2.013 -37.620) 43.061 9.519 ( -5.710 11.645 -2.590) 13.226 9.670 ( 5.207 10.482 1.433) 11.792 10.633 ( -9.962 9.224 5.759) 14.748 10.860 ( 1.278 -0.819 -11.035) 11.139 11.652 ( -10.664 -0.483 1.653) 10.802 12.041 ( 14.554 -3.390 2.744) 15.193 14.491 ( -18.616 18.022 -5.705) 26.531 14.885 ( 8.430 17.896 6.098) 20.701 16.501 ( -12.822 -5.074 -11.079) 17.689 17.021 ( 24.575 -4.773 14.657) 29.010 18.573 ( -20.949 -8.853 -12.278) 25.846 18.911 ( 5.456 -8.236 15.521) 18.398 20.306 ( -4.175 -0.543 2.268) 4.783 20.554 ( 11.325 -2.544 -4.552) 12.468 21.305 ( -10.504 0.760 -0.762) 10.559 21.629 ( 10.016 1.668 -2.603) 10.482 30.187 ( -13.964 0.353 -2.904) 14.267 30.344 ( -5.613 -0.508 -0.024) 5.636 30.916 ( 11.340 -3.494 5.015) 12.883 30.972 ( 10.600 -2.354 -2.128) 11.065 32.814 ( -9.038 3.381 15.492) 18.252 33.113 ( 3.964 3.261 -16.594) 17.370 35.720 ( -0.981 -0.409 -3.659) 3.811 35.752 ( 3.083 -0.669 3.618) 4.800 36.406 ( -3.634 1.805 0.589) 4.101 36.536 ( 4.915 1.605 -0.449) 5.190 51.591 ( -10.728 -3.906 11.605) 16.280 52.002 ( 11.354 -3.089 -12.485) 17.157 55.158 ( -10.424 8.855 -2.011) 13.824 55.371 ( 4.553 3.789 3.844) 7.061 56.212 ( -4.928 6.471 -5.730) 9.950 56.327 ( 4.280 3.336 3.630) 6.529 57.706 ( -11.162 -6.031 -3.724) 13.222 58.041 ( 12.332 -8.456 4.523) 15.622 60.327 ( -8.180 3.754 2.373) 9.308 60.575 ( 7.450 -0.441 -2.165) 7.771 ======================= Grid point 657 (332/355) ======================= q-point: (-0.25 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.050 ( -6.005 6.445 -8.499) 12.240 5.267 ( -30.842 29.178 -5.807) 42.852 5.570 ( 6.042 8.326 -3.180) 10.768 6.737 ( 7.909 19.903 9.395) 23.388 7.202 ( -21.602 -4.888 43.084) 48.443 8.166 ( 20.484 4.211 -38.716) 44.003 9.292 ( -4.898 9.570 -4.890) 11.810 9.617 ( 2.216 5.236 -2.995) 6.426 10.376 ( -11.413 12.018 8.193) 18.488 10.792 ( -0.688 -2.792 -12.619) 12.943 11.549 ( -4.095 0.775 0.218) 4.174 12.328 ( 13.448 -3.400 4.960) 14.732 13.925 ( -16.336 17.587 -14.041) 27.809 14.854 ( 0.688 9.900 9.234) 13.555 16.335 ( -2.903 2.085 -8.275) 9.014 17.343 ( 9.312 13.873 12.828) 21.064 18.440 ( -7.694 -22.168 -10.626) 25.759 19.186 ( -3.398 -11.568 20.520) 23.800 20.233 ( -5.076 1.259 -0.992) 5.323 20.733 ( 14.798 0.205 -2.830) 15.067 21.156 ( -9.562 -2.374 -2.715) 10.220 21.715 ( 6.860 0.703 -3.534) 7.749 29.946 ( -14.970 0.867 -1.965) 15.124 30.235 ( -8.870 -1.039 -0.709) 8.958 31.143 ( 13.671 -2.234 -1.601) 13.944 31.218 ( 13.847 -4.431 4.570) 15.240 32.728 ( -10.829 4.608 15.514) 19.472 33.013 ( 2.872 3.668 -13.938) 14.696 35.694 ( 0.033 -0.911 -2.816) 2.959 35.842 ( 3.817 -0.679 4.462) 5.911 36.337 ( -2.613 2.456 0.004) 3.586 36.583 ( 4.926 1.614 -1.407) 5.371 51.562 ( -10.035 -5.067 8.259) 13.949 52.127 ( 10.344 -4.721 -10.394) 15.405 54.854 ( -11.941 10.292 -2.954) 16.039 55.408 ( 1.381 3.746 4.514) 6.026 55.990 ( -3.611 8.827 -9.834) 13.700 56.394 ( 2.494 0.459 5.784) 6.316 57.615 ( -7.093 -3.962 -0.520) 8.141 58.327 ( 8.976 -8.202 1.505) 12.252 60.159 ( -8.719 5.064 1.527) 10.198 60.692 ( 7.854 -2.173 -1.567) 8.298 ======================= Grid point 658 (333/355) ======================= q-point: (-0.17 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -30.950 31.433 0.355) 44.115 4.866 ( 0.599 5.706 -15.492) 16.520 5.439 ( -4.247 10.782 -9.288) 14.851 6.644 ( 4.110 17.694 8.137) 19.904 7.232 ( -23.567 -6.450 38.970) 45.996 8.094 ( 20.159 9.930 -40.931) 46.694 9.033 ( -4.740 15.172 -6.064) 17.013 9.642 ( 2.706 -6.417 -0.114) 6.965 10.196 ( -3.133 8.994 8.179) 12.554 10.759 ( 1.077 -4.113 -9.140) 10.081 11.506 ( 0.240 1.869 -0.511) 1.952 12.551 ( 8.567 -1.740 2.837) 9.191 13.433 ( -13.227 14.608 -10.209) 22.195 14.793 ( -5.704 -0.038 0.934) 5.780 16.256 ( 7.106 9.953 -1.888) 12.374 17.223 ( -5.804 16.046 10.432) 20.000 18.632 ( 3.011 -18.995 -11.434) 22.374 19.323 ( -8.689 -5.016 16.726) 19.504 20.157 ( -6.082 -2.293 3.320) 7.299 20.945 ( 15.449 1.376 -0.375) 15.515 21.038 ( -7.175 -4.996 -6.441) 10.860 21.772 ( 3.875 -1.346 -3.258) 5.238 29.713 ( -13.447 1.761 -0.257) 13.564 30.122 ( -7.735 -2.145 -1.281) 8.129 31.357 ( 12.293 -3.064 -0.987) 12.707 31.488 ( 12.474 -3.150 2.829) 13.173 32.612 ( -11.142 5.025 14.996) 19.346 32.926 ( 3.166 3.610 -10.996) 11.999 35.706 ( 1.176 -1.503 -0.739) 2.046 35.935 ( 3.327 -0.958 4.081) 5.352 36.275 ( -0.724 3.246 -0.433) 3.354 36.619 ( 4.034 1.223 -2.238) 4.772 51.534 ( -8.492 -5.708 4.326) 11.109 52.274 ( 8.606 -6.300 -6.381) 12.428 54.554 ( -9.975 8.945 -1.997) 13.546 55.334 ( -7.321 6.968 1.520) 10.220 55.814 ( 3.155 6.985 -8.970) 11.799 56.461 ( -0.917 -3.390 4.696) 5.864 57.593 ( -0.874 -0.447 3.896) 4.018 58.491 ( 3.247 -4.908 -3.611) 6.904 59.997 ( -6.565 4.166 1.543) 7.927 60.823 ( 6.633 -2.854 -0.992) 7.288 ======================= Grid point 659 (334/355) ======================= q-point: (-0.08 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( -19.002 21.791 1.797) 28.968 4.717 ( 3.155 5.283 -17.468) 18.520 5.072 ( -11.741 12.460 -16.035) 23.457 6.571 ( 6.586 13.296 0.447) 14.845 7.216 ( -28.740 -8.470 43.103) 52.493 7.991 ( 21.957 10.064 -41.326) 47.867 8.781 ( -0.223 12.644 -3.208) 13.047 9.796 ( 2.831 -8.374 1.292) 8.933 10.173 ( 4.842 5.859 6.682) 10.120 10.791 ( 3.001 -4.372 -5.551) 7.677 11.499 ( 2.136 1.770 -0.618) 2.842 12.656 ( 3.352 0.830 1.063) 3.613 13.035 ( -12.458 11.657 -5.822) 18.027 14.697 ( -8.652 -5.825 -8.649) 13.549 16.301 ( 16.119 13.071 7.226) 21.975 17.053 ( -4.609 8.918 9.055) 13.519 18.661 ( -8.440 -6.430 -14.170) 17.702 19.375 ( 0.450 -1.861 8.900) 9.104 20.149 ( -7.686 -4.383 9.257) 12.805 20.887 ( -4.878 3.842 -5.250) 8.132 21.209 ( 11.494 -8.154 -2.610) 14.332 21.818 ( 1.466 -3.105 -2.708) 4.373 29.514 ( -10.480 2.880 1.657) 10.994 30.053 ( -5.419 -4.240 -1.647) 7.075 31.554 ( 9.736 -3.289 -0.056) 10.277 31.674 ( 7.385 -0.585 0.770) 7.448 32.507 ( -8.540 4.138 13.395) 16.416 32.870 ( 4.115 3.322 -8.587) 10.085 35.749 ( 1.999 -1.529 0.654) 2.601 36.004 ( 0.753 -0.908 2.304) 2.588 36.247 ( 2.652 3.001 0.511) 4.038 36.639 ( 2.254 0.496 -2.482) 3.389 51.510 ( -6.343 -5.557 0.444) 8.445 52.428 ( 5.126 -6.394 -1.439) 8.321 54.347 ( -5.381 4.932 -0.297) 7.305 55.072 ( -10.953 9.865 -3.724) 15.204 55.780 ( 6.527 4.102 -5.759) 9.623 56.506 ( -4.422 -6.083 2.681) 7.984 57.658 ( 5.265 2.145 8.556) 10.273 58.490 ( -2.337 -0.944 -7.402) 7.819 59.903 ( -2.582 1.753 1.076) 3.302 60.925 ( 3.927 -1.660 -0.539) 4.298 ======================= Grid point 666 (335/355) ======================= q-point: (-0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.447 ( 11.267 -0.000 12.327) 16.700 5.695 ( -7.408 -0.000 -12.799) 14.789 6.523 ( 16.766 -0.000 18.151) 24.709 6.873 ( -20.312 0.000 -17.224) 26.632 7.195 ( -20.576 -0.000 41.854) 46.638 8.041 ( 18.269 -0.000 -40.364) 44.306 9.820 ( 2.561 -0.000 11.291) 11.578 9.982 ( -1.613 -0.000 -5.210) 5.454 10.611 ( 13.169 -0.000 19.010) 23.126 10.943 ( -6.412 -0.000 -13.841) 15.254 11.792 ( 4.788 -0.000 0.642) 4.831 11.840 ( -9.415 -0.000 -3.832) 10.165 14.965 ( -2.035 -0.000 24.890) 24.973 15.277 ( 14.312 -0.000 -3.914) 14.837 16.341 ( -0.763 -0.000 8.106) 8.142 16.606 ( -10.536 -0.000 -16.376) 19.473 18.690 ( 8.006 -0.000 1.485) 8.142 18.821 ( -13.095 -0.000 -11.486) 17.418 20.295 ( 8.636 -0.000 2.975) 9.134 20.336 ( -7.176 -0.000 -1.276) 7.288 21.512 ( 13.131 -0.000 0.758) 13.153 21.522 ( -10.322 -0.000 -0.379) 10.329 30.319 ( 10.036 -0.000 1.828) 10.201 30.365 ( -5.083 -0.000 -2.864) 5.834 30.726 ( -5.464 -0.000 7.882) 9.591 30.881 ( 0.457 -0.000 -7.371) 7.385 32.875 ( -6.343 -0.000 15.276) 16.541 33.222 ( 6.465 -0.000 -18.604) 19.695 35.661 ( 2.023 -0.000 4.955) 5.352 35.774 ( -1.736 -0.000 -6.161) 6.401 36.495 ( -4.356 -0.000 1.124) 4.499 36.503 ( 4.130 -0.000 0.343) 4.145 51.594 ( -11.026 -0.000 13.839) 17.694 51.867 ( 12.182 -0.000 -12.891) 17.736 55.319 ( 2.984 -0.000 9.970) 10.407 55.502 ( -3.822 -0.000 -8.130) 8.983 56.310 ( 1.760 -0.000 5.639) 5.907 56.392 ( 1.928 -0.000 -2.088) 2.842 57.696 ( 8.552 -0.000 1.606) 8.702 57.774 ( -11.923 -0.000 -5.874) 13.291 60.453 ( -3.854 -0.000 3.775) 5.394 60.515 ( 4.108 -0.000 -2.214) 4.667 ======================= Grid point 668 (336/355) ======================= q-point: (-0.42 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.447 ( -9.807 3.772 -13.164) 16.843 5.650 ( 8.571 3.003 8.129) 12.189 6.393 ( -24.009 6.334 -15.046) 29.033 6.849 ( 8.628 0.713 21.843) 23.496 7.199 ( -17.355 1.894 39.433) 43.124 8.058 ( 19.528 -2.575 -37.887) 42.701 9.817 ( -3.914 10.703 -0.855) 11.428 9.897 ( 1.771 5.114 1.013) 5.506 10.699 ( -11.056 -2.530 -16.211) 19.785 10.847 ( 2.739 0.848 8.491) 8.962 11.686 ( -8.183 2.623 1.432) 8.712 11.939 ( 9.853 -4.163 4.227) 11.502 14.856 ( -19.571 10.551 6.403) 23.137 15.177 ( -6.231 5.050 -13.587) 15.778 16.458 ( 3.841 4.063 -4.167) 6.973 16.753 ( 25.216 -14.200 14.277) 32.269 18.507 ( -21.414 0.598 -5.609) 22.144 18.797 ( 1.213 -2.011 9.433) 9.721 20.263 ( -2.949 -1.768 -2.161) 4.061 20.484 ( 12.826 -2.172 0.698) 13.028 21.344 ( -11.103 1.427 -2.719) 11.519 21.677 ( 10.702 1.475 -1.254) 10.875 30.191 ( -12.911 0.041 -5.276) 13.947 30.348 ( -4.962 0.378 0.639) 5.017 30.850 ( 11.010 -1.560 9.176) 14.417 30.934 ( 10.016 -0.834 -4.536) 11.027 32.866 ( -9.111 1.020 16.046) 18.480 33.161 ( 3.285 0.896 -17.248) 17.581 35.713 ( -0.930 -0.118 -5.195) 5.278 35.736 ( 2.989 -0.468 4.449) 5.380 36.438 ( -3.583 0.749 0.818) 3.751 36.566 ( 4.864 0.720 -0.107) 4.918 51.532 ( -10.807 -1.165 12.327) 16.435 51.955 ( 11.717 -0.927 -13.634) 18.001 55.333 ( -6.990 5.174 -4.020) 9.580 55.418 ( 0.802 -0.080 5.809) 5.865 56.317 ( -3.666 2.499 -1.590) 4.713 56.367 ( 0.212 0.263 -2.479) 2.502 57.612 ( -7.568 -1.843 -1.731) 7.979 57.893 ( 11.610 -3.445 5.044) 13.119 60.402 ( -5.171 2.083 2.726) 6.205 60.557 ( 4.114 -0.779 -2.629) 4.945 ======================= Grid point 669 (337/355) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( -9.531 3.487 -11.662) 15.460 5.713 ( -2.426 7.043 1.927) 7.694 5.822 ( -20.078 12.858 -11.871) 26.634 7.045 ( -2.032 0.347 21.225) 21.325 7.157 ( -17.530 7.435 36.413) 41.091 8.145 ( 20.858 -4.259 -35.541) 41.429 9.563 ( -4.497 13.457 -5.755) 15.311 9.837 ( 0.817 9.354 -1.924) 9.585 10.499 ( -9.048 -5.543 -12.340) 16.275 10.789 ( -7.509 6.478 2.896) 10.332 11.577 ( -5.492 1.308 3.828) 6.821 12.208 ( 12.119 -6.044 5.388) 14.575 14.344 ( -19.281 16.848 -12.701) 28.582 14.938 ( -16.239 -3.342 -6.629) 17.855 16.465 ( 10.235 9.587 -0.364) 14.028 17.444 ( 29.948 -8.753 16.350) 35.226 18.126 ( -24.123 -0.851 -3.171) 24.345 18.926 ( -5.175 -9.072 17.034) 19.981 20.230 ( -2.050 -1.365 -4.493) 5.124 20.711 ( 14.706 -1.486 -1.503) 14.857 21.145 ( -10.115 0.893 -3.387) 10.704 21.772 ( 7.799 2.940 -2.668) 8.751 29.954 ( -13.464 -0.038 -5.735) 14.635 30.247 ( -7.365 1.331 1.322) 7.600 31.090 ( 12.300 -1.966 -3.118) 12.840 31.133 ( 14.401 -2.533 7.908) 16.623 32.806 ( -11.612 2.085 15.901) 19.800 33.068 ( 1.423 1.175 -15.052) 15.165 35.675 ( -0.128 -0.606 -4.137) 4.183 35.822 ( 3.194 -0.841 4.456) 5.547 36.386 ( -2.349 1.532 0.655) 2.880 36.623 ( 5.138 1.480 -1.017) 5.443 51.477 ( -10.168 -2.168 10.378) 14.690 52.046 ( 11.188 -2.138 -13.226) 17.455 55.085 ( -10.271 8.376 -5.284) 14.268 55.467 ( -0.131 1.015 6.885) 6.961 56.147 ( -7.474 4.515 -7.571) 11.557 56.361 ( -1.586 -2.399 -1.380) 3.189 57.570 ( -0.937 -0.276 2.877) 3.039 58.151 ( 10.247 -5.935 4.473) 12.659 60.284 ( -6.941 4.973 1.670) 8.700 60.628 ( 4.950 -2.965 -2.452) 6.270 ======================= Grid point 670 (338/355) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.910 ( -16.683 4.020 -5.764) 18.103 5.127 ( -19.928 21.318 -10.503) 31.014 5.659 ( -2.702 7.124 -7.193) 10.479 6.995 ( -6.591 11.903 6.900) 15.255 7.098 ( -25.129 -3.766 42.549) 49.559 8.231 ( 20.475 0.174 -37.048) 42.330 9.344 ( -1.944 11.251 -2.289) 11.645 9.677 ( -1.778 9.174 -5.649) 10.920 10.377 ( -4.495 1.088 -1.564) 4.882 10.640 ( -6.102 -0.592 -0.287) 6.138 11.539 ( -2.337 0.046 2.700) 3.571 12.467 ( 9.321 -4.999 2.950) 10.981 13.796 ( -15.694 15.094 -14.722) 26.285 14.696 ( -18.364 -7.656 -7.358) 21.213 16.514 ( 12.914 12.111 2.602) 17.895 17.613 ( -15.152 15.234 11.926) 24.575 18.180 ( 17.228 -17.651 -1.205) 24.694 19.087 ( -9.511 -13.066 21.553) 26.939 20.151 ( -3.317 1.198 -6.820) 7.677 20.863 ( 2.968 -4.436 -10.557) 11.829 21.058 ( 4.532 2.289 4.566) 6.829 21.805 ( 4.874 3.332 -3.041) 6.641 29.732 ( -11.611 -0.055 -5.022) 12.651 30.134 ( -6.000 2.479 1.411) 6.644 31.278 ( 11.427 -3.323 -2.376) 12.135 31.422 ( 13.798 -2.324 6.110) 15.268 32.702 ( -13.095 2.651 15.038) 20.116 32.976 ( 0.958 0.850 -12.341) 12.408 35.670 ( 0.742 -1.336 -1.997) 2.515 35.906 ( 2.251 -1.461 3.999) 4.816 36.345 ( -0.412 2.476 0.571) 2.575 36.662 ( 4.640 2.147 -2.243) 5.583 51.433 ( -8.733 -2.901 8.034) 12.215 52.156 ( 10.731 -3.615 -10.871) 15.698 54.784 ( -10.763 9.769 -4.134) 15.112 55.461 ( -4.284 3.509 4.776) 7.313 55.930 ( -7.071 2.302 -8.357) 11.186 56.361 ( -2.018 -3.753 -1.303) 4.456 57.617 ( 4.140 1.959 6.092) 7.622 58.363 ( 6.162 -5.413 0.317) 8.208 60.122 ( -7.283 5.901 1.806) 9.546 60.733 ( 5.271 -4.446 -2.131) 7.218 ======================= Grid point 671 (339/355) ======================= q-point: (-0.17 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( -33.728 22.790 3.333) 40.841 4.820 ( -0.719 4.419 -14.435) 15.113 5.370 ( -11.418 10.641 -15.650) 22.103 6.797 ( -6.328 6.249 -3.082) 9.413 7.050 ( -28.968 -4.164 47.424) 55.727 8.210 ( 20.011 6.721 -40.445) 45.622 9.120 ( -7.295 14.590 0.243) 16.314 9.619 ( 2.562 -3.213 0.578) 4.150 10.348 ( 4.473 6.115 5.293) 9.243 10.623 ( -2.322 -7.728 -3.069) 8.633 11.533 ( -0.559 -0.074 1.115) 1.250 12.629 ( 5.350 -2.568 0.004) 5.934 13.325 ( -14.540 11.359 -12.181) 22.109 14.506 ( -14.028 -9.438 -7.585) 18.531 16.589 ( 13.538 11.484 4.177) 18.238 17.295 ( -15.616 10.054 11.696) 21.949 18.485 ( 2.790 -6.830 -4.705) 8.751 19.272 ( -1.153 -8.674 17.688) 19.734 20.048 ( -3.952 -1.462 -4.147) 5.912 20.828 ( -4.018 -7.191 -10.209) 13.118 21.205 ( 12.789 4.640 3.918) 14.158 21.804 ( 2.373 2.021 -2.459) 3.970 29.553 ( -8.529 0.254 -3.410) 9.189 30.038 ( -3.776 2.760 0.926) 4.769 31.463 ( 9.463 -4.100 -1.548) 10.429 31.657 ( 10.529 -0.832 3.241) 11.048 32.582 ( -12.404 2.205 13.755) 18.653 32.910 ( 1.430 0.215 -9.607) 9.715 35.701 ( 1.466 -2.158 0.148) 2.614 35.971 ( 0.200 -1.901 3.123) 3.662 36.327 ( 2.142 3.288 0.672) 3.982 36.673 ( 3.185 2.383 -3.299) 5.168 51.405 ( -6.516 -3.251 5.416) 9.075 52.296 ( 9.844 -4.596 -6.694) 12.761 54.506 ( -8.578 8.199 -2.285) 12.084 55.282 ( -11.822 7.590 -1.553) 14.134 55.821 ( -1.454 -1.519 -4.284) 4.772 56.375 ( -1.428 -3.805 -0.606) 4.109 57.721 ( 6.958 2.805 8.078) 11.024 58.447 ( 0.965 -2.544 -5.090) 5.772 59.978 ( -5.586 4.334 2.623) 7.541 60.849 ( 4.513 -4.541 -1.602) 6.600 ======================= Grid point 672 (340/355) ======================= q-point: (-0.08 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( -22.945 13.902 5.485) 27.383 4.666 ( -3.442 3.243 -10.575) 11.584 4.922 ( -10.843 10.512 -20.260) 25.270 6.626 ( -5.830 1.563 -6.308) 8.731 7.049 ( -26.135 -6.014 51.196) 57.794 8.133 ( 21.215 8.136 -41.610) 47.410 8.861 ( -7.571 9.094 2.336) 12.062 9.755 ( 2.912 -7.259 2.840) 8.321 10.392 ( 5.672 7.157 5.630) 10.728 10.703 ( 1.896 -8.418 -2.347) 8.942 11.537 ( 0.249 -0.184 0.015) 0.310 12.693 ( 2.243 -0.140 -1.365) 2.629 12.936 ( -12.440 7.986 -8.019) 16.817 14.405 ( -7.690 -8.045 -6.777) 13.030 16.687 ( 10.509 7.240 3.854) 13.331 17.122 ( -6.645 4.985 13.086) 15.500 18.393 ( -12.342 -1.690 -7.042) 14.310 19.464 ( 6.387 -0.739 6.177) 8.915 20.039 ( -2.604 -5.034 2.956) 6.392 20.790 ( -2.510 -4.298 -7.462) 8.969 21.334 ( 8.734 3.455 1.160) 9.464 21.800 ( 0.738 -0.046 -1.552) 1.719 29.432 ( -4.618 1.160 -1.151) 4.899 29.976 ( -1.469 1.423 -0.104) 2.048 31.625 ( 6.647 -4.219 -0.529) 7.891 31.773 ( 3.914 2.029 0.827) 4.485 32.501 ( -7.573 0.586 11.336) 13.645 32.878 ( 2.131 -0.265 -7.637) 7.933 35.759 ( 1.758 -2.409 1.254) 3.235 35.997 ( -1.534 -1.442 1.720) 2.719 36.338 ( 3.539 3.002 0.847) 4.718 36.654 ( 1.064 1.872 -3.399) 4.024 51.395 ( -3.860 -3.049 2.864) 5.692 52.442 ( 6.814 -3.382 -2.230) 7.927 54.328 ( -4.201 4.002 -0.130) 5.803 54.982 ( -11.456 7.279 -4.811) 14.400 55.820 ( -0.029 -2.111 -1.754) 2.745 56.397 ( -0.546 -2.574 -0.222) 2.640 57.862 ( 8.039 2.202 9.257) 12.456 58.388 ( -3.579 0.345 -8.697) 9.411 59.900 ( -2.773 1.434 2.504) 4.003 60.939 ( 2.656 -2.835 -1.033) 4.019 ======================= Grid point 680 (341/355) ======================= q-point: (-0.42 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.212 ( -11.490 0.000 -14.021) 18.127 5.794 ( 2.122 -0.000 3.867) 4.411 5.978 ( -23.807 0.000 -13.518) 27.377 7.018 ( -12.596 0.000 38.227) 40.248 7.285 ( -7.086 0.000 23.335) 24.387 8.074 ( 20.528 -0.000 -36.133) 41.557 9.816 ( -1.783 0.000 -9.964) 10.122 9.919 ( -4.581 0.000 5.268) 6.981 10.373 ( -8.868 0.000 -19.628) 21.538 10.899 ( -4.845 0.000 5.343) 7.212 11.599 ( -8.763 0.000 3.029) 9.272 12.113 ( 11.499 -0.000 8.005) 14.011 14.657 ( -21.183 0.000 2.771) 21.363 14.778 ( -22.052 0.000 -27.769) 35.460 16.664 ( 14.097 -0.000 -2.315) 14.286 17.214 ( 33.498 -0.000 19.165) 38.593 18.181 ( -24.241 0.000 5.740) 24.912 18.803 ( -7.332 0.000 12.322) 14.339 20.205 ( -0.305 0.000 -4.405) 4.415 20.689 ( 15.399 -0.000 -1.049) 15.435 21.162 ( -10.456 0.000 -4.541) 11.400 21.813 ( 7.984 -0.000 -2.091) 8.254 29.953 ( -13.017 0.000 -7.157) 14.855 30.268 ( -6.440 0.000 1.905) 6.716 31.064 ( 11.610 -0.000 -3.559) 12.144 31.102 ( 14.533 -0.000 9.307) 17.258 32.831 ( -11.823 0.000 16.056) 19.939 33.080 ( 0.833 -0.000 -15.461) 15.483 35.668 ( -0.115 0.000 -4.725) 4.727 35.810 ( 2.867 -0.000 4.452) 5.296 36.405 ( -2.261 0.000 0.826) 2.407 36.642 ( 5.303 -0.000 -0.752) 5.356 51.452 ( -10.226 0.000 11.084) 15.080 52.021 ( 11.422 -0.000 -14.179) 18.208 55.201 ( -8.569 0.000 -8.108) 11.797 55.470 ( -1.747 0.000 9.743) 9.899 56.205 ( -12.317 0.000 -4.871) 13.245 56.322 ( 0.409 -0.000 -5.776) 5.791 57.573 ( 1.417 -0.000 4.052) 4.293 58.074 ( 10.541 -0.000 5.595) 11.934 60.357 ( -5.697 0.000 1.808) 5.977 60.580 ( 3.299 -0.000 -2.962) 4.434 ======================= Grid point 681 (342/355) ======================= q-point: (-0.33 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.936 ( -14.610 0.005 -10.530) 18.009 5.512 ( -20.636 9.105 -10.118) 24.721 5.757 ( -7.206 1.122 -3.106) 7.927 7.051 ( -19.189 -0.144 37.422) 42.056 7.216 ( -16.814 5.291 16.169) 23.920 8.159 ( 21.261 -3.460 -34.656) 40.805 9.636 ( -1.366 12.558 -5.456) 13.760 9.862 ( -5.410 1.048 -2.315) 5.977 10.226 ( -0.958 -6.301 -14.224) 15.587 10.777 ( -9.984 6.011 4.657) 12.550 11.505 ( -8.663 -1.997 5.728) 10.576 12.351 ( 10.303 -3.376 6.039) 12.410 14.125 ( -21.860 11.620 -22.395) 33.383 14.472 ( -19.214 -9.693 -6.622) 22.516 16.793 ( 13.243 8.948 -0.347) 15.986 17.728 ( -8.843 -7.610 0.959) 11.706 18.011 ( 16.744 5.868 24.735) 30.440 18.800 ( -12.635 -8.611 16.904) 22.794 20.174 ( 0.324 0.417 -6.216) 6.239 20.792 ( 0.048 -1.448 -15.361) 15.429 21.094 ( 6.569 0.752 5.958) 8.900 21.880 ( 5.037 2.027 -2.410) 5.940 29.725 ( -10.810 -0.250 -7.871) 13.374 30.196 ( -3.976 1.857 2.697) 5.151 31.215 ( 10.803 -1.561 -3.049) 11.333 31.382 ( 13.923 -0.933 8.633) 16.408 32.744 ( -13.987 0.869 15.098) 20.599 32.981 ( -0.441 -0.085 -13.237) 13.245 35.647 ( 0.591 -0.494 -2.920) 3.020 35.876 ( 1.418 -0.803 3.786) 4.122 36.387 ( -0.208 0.935 1.029) 1.406 36.705 ( 5.235 1.093 -1.901) 5.676 51.390 ( -8.974 -0.839 10.006) 13.467 52.099 ( 11.625 -1.172 -13.307) 17.708 54.980 ( -9.624 5.368 -7.053) 13.083 55.498 ( -3.477 -0.010 8.266) 8.968 55.938 ( -16.715 -0.608 -7.208) 18.213 56.311 ( 2.020 -0.678 -4.138) 4.655 57.662 ( 5.945 1.300 5.961) 8.519 58.260 ( 7.674 -2.577 3.312) 8.746 60.249 ( -7.130 3.765 1.080) 8.135 60.632 ( 3.819 -3.201 -2.596) 5.619 ======================= Grid point 682 (343/355) ======================= q-point: (-0.25 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( -27.806 3.212 -2.337) 28.088 5.053 ( -10.567 14.394 -9.720) 20.330 5.518 ( -15.895 1.571 -11.362) 19.602 6.895 ( -16.493 2.813 -2.479) 16.914 7.043 ( -27.725 2.315 48.688) 56.076 8.259 ( 20.386 -1.928 -36.384) 41.751 9.430 ( -8.555 11.558 2.798) 14.649 9.704 ( -1.438 7.469 -6.219) 9.825 10.282 ( 6.570 -8.619 -7.841) 13.377 10.610 ( -8.119 4.459 7.135) 11.692 11.476 ( -6.289 -4.225 5.380) 9.292 12.551 ( 6.853 -3.429 2.452) 8.046 13.541 ( -21.112 6.266 -22.998) 31.841 14.302 ( -12.343 -6.517 -2.851) 14.245 16.852 ( 10.542 9.995 0.387) 14.533 17.456 ( -23.208 2.310 8.885) 24.958 18.419 ( 9.858 2.798 9.940) 14.277 18.968 ( 1.708 -15.176 22.774) 27.421 20.092 ( -0.765 3.740 -9.542) 10.277 20.657 ( -4.782 -6.244 -16.887) 18.629 21.295 ( 13.424 2.475 6.606) 15.165 21.883 ( 2.233 3.487 -2.022) 4.608 29.542 ( -7.425 -0.721 -7.658) 10.691 30.141 ( -1.086 4.661 2.938) 5.616 31.371 ( 9.151 -3.260 -2.549) 10.043 31.636 ( 11.636 -0.792 6.529) 13.366 32.619 ( -14.753 1.008 13.706) 20.162 32.895 ( -0.702 -1.077 -10.708) 10.785 35.658 ( 1.096 -1.310 -0.621) 1.818 35.921 ( -0.704 -1.909 3.000) 3.625 36.392 ( 2.085 1.983 1.234) 3.131 36.737 ( 4.291 2.411 -3.417) 5.992 51.351 ( -6.936 -1.325 8.853) 11.325 52.212 ( 12.325 -2.405 -10.443) 16.332 54.713 ( -9.368 8.187 -4.947) 13.389 55.425 ( -10.728 4.121 1.033) 11.539 55.715 ( -11.128 -5.978 -2.168) 12.817 56.336 ( 3.659 -0.103 -2.123) 4.231 57.782 ( 7.240 2.116 6.276) 9.813 58.382 ( 3.525 -2.475 -1.760) 4.653 60.093 ( -7.689 4.784 1.665) 9.208 60.726 ( 4.218 -5.109 -2.117) 6.955 ======================= Grid point 683 (344/355) ======================= q-point: (-0.17 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( -36.647 13.188 5.412) 39.322 4.750 ( -7.950 5.346 -9.296) 13.349 5.132 ( -16.639 5.194 -16.047) 23.692 6.628 ( -13.815 -1.077 -4.396) 14.537 6.963 ( -27.920 -0.642 49.643) 56.959 8.276 ( 19.767 3.276 -40.164) 44.885 9.109 ( -18.096 10.456 4.313) 21.340 9.657 ( 3.545 0.806 1.047) 3.783 10.486 ( 6.798 -8.940 -0.897) 11.267 10.533 ( -0.073 3.382 4.911) 5.963 11.482 ( -4.192 -4.057 3.478) 6.792 12.660 ( 2.240 -2.844 -1.321) 3.854 13.061 ( -16.316 2.862 -18.357) 24.726 14.234 ( -5.568 -5.313 0.376) 7.705 16.863 ( 4.095 7.467 0.342) 8.523 17.211 ( -14.967 1.649 10.960) 18.624 18.382 ( -13.836 1.051 5.996) 15.116 19.396 ( 13.935 -5.521 15.683) 21.693 19.978 ( 1.504 1.294 -8.980) 9.197 20.597 ( -2.504 -9.715 -13.678) 16.962 21.471 ( 10.961 5.535 4.650) 13.130 21.845 ( 0.200 3.322 -0.975) 3.468 29.425 ( -3.199 -1.169 -6.536) 7.370 30.091 ( 1.192 7.042 2.537) 7.580 31.522 ( 7.092 -4.296 -1.654) 8.455 31.810 ( 6.986 1.003 2.780) 7.586 32.501 ( -12.338 -0.368 12.457) 17.536 32.841 ( -0.457 -2.406 -8.394) 8.744 35.700 ( 1.381 -2.215 1.330) 2.930 35.944 ( -2.335 -2.688 2.166) 4.168 36.412 ( 3.256 2.852 0.937) 4.428 36.723 ( 2.409 3.366 -4.566) 6.163 51.342 ( -4.254 -1.426 7.451) 8.698 52.369 ( 12.538 -2.597 -6.163) 14.210 54.468 ( -7.189 7.295 -2.314) 10.501 55.139 ( -15.438 5.382 -4.900) 17.068 55.694 ( -5.676 -7.347 2.413) 9.593 56.388 ( 5.317 1.058 -0.462) 5.441 57.910 ( 7.445 1.796 6.546) 10.075 58.385 ( -1.222 -0.531 -7.614) 7.730 59.954 ( -6.732 2.908 2.922) 7.894 60.837 ( 3.823 -5.257 -1.580) 6.689 ======================= Grid point 684 (345/355) ======================= q-point: (-0.08 -0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -27.240 5.419 9.510) 29.356 4.531 ( -13.213 -2.596 -3.710) 13.967 4.744 ( -8.155 8.982 -13.609) 18.231 6.466 ( -9.671 -4.441 -1.882) 10.807 6.949 ( -26.618 -5.852 49.693) 56.676 8.229 ( 21.167 5.745 -42.203) 47.562 8.787 ( -17.520 3.970 6.098) 18.970 9.752 ( 2.891 -4.314 3.494) 6.259 10.454 ( -6.221 0.652 2.147) 6.614 10.732 ( 9.228 -2.654 1.802) 9.770 11.493 ( -2.575 -3.106 1.617) 4.347 12.645 ( -6.637 -5.965 -7.497) 11.654 12.804 ( -0.329 3.964 -6.280) 7.434 14.263 ( -0.157 -3.939 3.216) 5.087 16.792 ( -4.888 2.991 0.281) 5.738 17.134 ( -6.436 -2.874 6.227) 9.405 18.187 ( -12.923 1.544 6.533) 14.563 19.587 ( 3.519 2.852 0.481) 4.555 20.071 ( 12.102 -1.762 1.868) 12.372 20.610 ( -1.419 -10.665 -9.999) 14.688 21.521 ( 4.227 8.971 1.714) 10.064 21.815 ( 0.432 1.821 0.566) 1.955 29.388 ( 1.425 -1.147 -4.645) 4.992 30.046 ( 2.739 7.542 1.525) 8.167 31.649 ( 4.014 -4.045 -0.311) 5.707 31.835 ( -1.084 3.681 0.238) 3.844 32.467 ( -4.814 -2.725 9.391) 10.899 32.819 ( -0.081 -3.423 -7.012) 7.803 35.762 ( 1.137 -2.525 1.861) 3.337 35.952 ( -2.515 -2.848 1.698) 4.162 36.417 ( 1.862 3.314 -0.875) 3.901 36.672 ( 0.462 3.172 -3.738) 4.924 51.363 ( -1.315 -1.062 5.938) 6.174 52.525 ( 9.625 0.355 -2.529) 9.958 54.319 ( -2.994 3.353 0.203) 4.500 54.845 ( -11.249 3.093 -4.334) 12.445 55.718 ( -5.467 -6.780 2.507) 9.063 56.454 ( 6.828 3.018 0.337) 7.473 58.047 ( 7.011 0.960 6.632) 9.699 58.265 ( -5.273 0.789 -11.028) 12.249 59.875 ( -4.670 -0.120 3.166) 5.643 60.929 ( 2.375 -3.562 -1.075) 4.414 ======================= Grid point 693 (346/355) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.604 ( -23.206 0.000 -5.195) 23.781 5.277 ( -10.643 0.000 -7.962) 13.291 5.502 ( -22.489 0.000 -8.656) 24.098 6.936 ( -20.463 0.000 0.809) 20.479 7.081 ( -28.242 0.000 46.716) 54.589 8.215 ( 21.927 -0.000 -34.601) 40.963 9.640 ( -18.910 0.000 3.165) 19.173 9.759 ( 6.545 -0.000 -6.221) 9.030 10.172 ( 9.915 -0.000 -12.349) 15.837 10.674 ( -12.277 0.000 3.150) 12.675 11.403 ( -9.439 0.000 10.506) 14.123 12.503 ( 7.226 -0.000 4.264) 8.390 13.615 ( -25.726 0.000 -29.862) 39.416 14.223 ( -8.779 0.000 1.272) 8.870 16.996 ( 9.174 -0.000 -3.227) 9.725 17.454 ( -23.160 0.000 8.165) 24.557 18.617 ( -18.617 0.000 16.427) 24.828 18.622 ( 31.277 -0.000 24.073) 39.469 20.153 ( 1.822 -0.000 -6.950) 7.185 20.571 ( -6.807 0.000 -22.310) 23.325 21.324 ( 14.027 -0.000 7.160) 15.749 21.929 ( 2.052 -0.000 -1.729) 2.683 29.532 ( -7.138 0.000 -8.966) 11.460 30.206 ( 0.522 -0.000 3.301) 3.342 31.328 ( 8.832 -0.000 -3.048) 9.344 31.625 ( 11.727 -0.000 8.220) 14.321 32.632 ( -15.555 0.000 13.829) 20.813 32.878 ( -1.496 0.000 -11.395) 11.493 35.642 ( 0.987 -0.000 -0.979) 1.390 35.896 ( -1.095 0.000 2.926) 3.124 36.416 ( 2.091 -0.000 1.466) 2.554 36.768 ( 4.753 -0.000 -3.424) 5.858 51.336 ( -7.161 0.000 10.174) 12.442 52.183 ( 13.110 -0.000 -11.915) 17.715 54.829 ( -8.759 0.000 -7.110) 11.281 55.472 ( -8.635 0.000 4.081) 9.551 55.626 ( -16.258 0.000 -2.371) 16.430 56.339 ( 4.885 -0.000 -2.359) 5.425 57.810 ( 7.191 -0.000 5.231) 8.892 58.349 ( 4.498 -0.000 -0.040) 4.498 60.163 ( -8.703 0.000 0.751) 8.736 60.652 ( 4.234 -0.000 -2.082) 4.719 ======================= Grid point 694 (347/355) ======================= q-point: (-0.25 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( -31.812 2.678 2.441) 32.018 4.941 ( -25.145 8.391 -9.331) 28.102 5.155 ( -11.909 -2.259 -7.560) 14.286 6.584 ( -23.943 -1.764 -2.568) 24.145 6.997 ( -27.626 1.922 46.758) 54.343 8.296 ( 21.314 -0.509 -36.139) 41.959 9.303 ( -25.073 4.814 4.686) 25.958 9.771 ( 4.631 5.483 -6.520) 9.697 10.327 ( 13.807 -3.256 -1.766) 14.295 10.529 ( -9.967 -2.654 3.160) 10.788 11.389 ( -5.485 -2.591 10.904) 12.478 12.581 ( -2.030 -2.550 -1.413) 3.553 13.101 ( -15.161 0.811 -23.506) 27.982 14.160 ( -3.666 -1.261 3.568) 5.269 17.025 ( 1.506 5.330 -3.258) 6.426 17.196 ( -20.565 -2.218 9.545) 22.781 18.427 ( -19.508 1.760 15.983) 25.281 19.252 ( 26.066 -4.465 21.147) 33.861 20.087 ( 2.013 6.102 -11.676) 13.327 20.373 ( -3.696 -8.057 -21.113) 22.898 21.560 ( 12.819 1.826 5.821) 14.197 21.918 ( -0.688 1.970 -0.526) 2.152 29.400 ( -2.662 -0.648 -8.974) 9.383 30.243 ( 4.390 4.190 3.108) 6.818 31.435 ( 6.847 -2.363 -2.798) 7.765 31.823 ( 8.164 0.197 5.540) 9.868 32.495 ( -15.290 -0.080 13.079) 20.121 32.788 ( -1.973 -1.482 -9.499) 9.815 35.663 ( 1.110 -0.825 1.205) 1.834 35.891 ( -2.869 -1.332 2.119) 3.807 36.461 ( 3.288 1.124 1.544) 3.803 36.788 ( 3.251 1.617 -5.420) 6.524 51.323 ( -4.747 -0.342 10.412) 11.449 52.324 ( 15.413 -1.019 -8.923) 17.839 54.632 ( -7.795 4.902 -5.236) 10.593 55.219 ( -18.061 1.213 -5.993) 19.068 55.540 ( -7.029 -4.071 7.485) 11.045 56.414 ( 7.018 0.703 -0.114) 7.054 57.942 ( 7.055 0.761 4.655) 8.486 58.371 ( 0.378 -0.432 -5.991) 6.019 60.020 ( -9.632 1.962 1.966) 10.024 60.724 ( 4.483 -3.148 -1.631) 5.716 ======================= Grid point 695 (348/355) ======================= q-point: (-0.17 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( -37.071 9.242 10.235) 39.552 4.443 ( -27.595 -3.561 -5.337) 28.331 4.961 ( -6.841 7.567 -4.305) 11.072 6.297 ( -21.548 -8.675 -1.264) 23.263 6.890 ( -27.534 0.538 45.456) 53.148 8.329 ( 20.401 2.584 -38.462) 43.615 8.895 ( -27.021 4.054 6.317) 28.044 9.735 ( 3.415 3.299 -1.998) 5.151 10.423 ( -6.897 -3.356 3.341) 8.366 10.631 ( 9.896 -5.353 4.050) 11.958 11.436 ( -0.242 -1.183 7.534) 7.630 12.451 ( -13.584 -8.259 -12.732) 20.367 12.893 ( 2.207 3.006 -8.479) 9.263 14.193 ( 0.642 -1.856 6.995) 7.265 16.874 ( -11.352 3.383 1.929) 12.001 17.045 ( -13.169 -3.869 0.702) 13.743 18.245 ( -15.434 2.494 16.020) 22.384 19.672 ( 8.600 3.649 8.339) 12.523 20.037 ( 14.851 -0.134 -6.452) 16.192 20.341 ( -0.744 -10.760 -15.518) 18.898 21.711 ( 8.017 5.836 3.522) 10.523 21.870 ( -1.370 2.323 1.320) 3.003 29.351 ( 2.316 -1.447 -7.993) 8.446 30.263 ( 6.315 9.065 2.213) 11.267 31.547 ( 5.071 -4.281 -1.830) 6.884 31.906 ( 1.207 2.135 0.646) 2.536 32.402 ( -10.220 -2.210 12.784) 16.515 32.728 ( -2.206 -3.630 -7.824) 8.903 35.709 ( 1.020 -1.665 2.773) 3.392 35.880 ( -3.403 -2.695 1.564) 4.614 36.494 ( 2.640 2.641 0.454) 3.762 36.748 ( 0.848 2.721 -6.576) 7.167 51.350 ( -1.865 -0.196 10.287) 10.456 52.525 ( 16.916 -0.287 -5.487) 17.786 54.436 ( -5.747 5.724 -2.137) 8.388 54.906 ( -16.150 1.495 -5.525) 17.134 55.552 ( -6.749 -6.089 6.522) 11.188 56.522 ( 9.226 2.212 1.538) 9.611 58.068 ( 6.804 0.694 4.874) 8.398 58.277 ( -4.583 0.261 -12.311) 13.139 59.885 ( -8.858 0.811 4.171) 9.824 60.824 ( 3.909 -4.439 -1.375) 6.073 ======================= Grid point 696 (349/355) ======================= q-point: (-0.08 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -27.550 1.562 16.214) 32.005 4.179 ( -21.092 -10.451 6.467) 24.412 4.734 ( -4.059 9.454 -2.098) 10.501 6.143 ( -19.468 -15.223 1.678) 24.770 6.834 ( -26.661 -4.194 45.802) 53.162 8.317 ( 19.001 3.400 -35.547) 40.449 8.548 ( -20.603 0.485 3.769) 20.950 9.772 ( 2.305 -2.082 1.334) 3.380 10.365 ( -6.457 -1.265 -0.335) 6.588 10.779 ( -1.991 -2.525 4.958) 5.909 11.491 ( 1.728 2.350 3.966) 4.924 12.375 ( -2.066 -13.742 -7.930) 16.000 12.864 ( 4.055 3.803 -4.420) 7.102 14.319 ( 5.024 -2.009 10.674) 11.967 16.637 ( -17.549 0.317 -8.112) 19.336 16.912 ( -13.411 -9.353 1.057) 16.384 18.198 ( -2.303 3.282 20.208) 20.602 19.636 ( 0.597 4.851 -5.787) 7.575 20.352 ( 16.608 1.844 -4.091) 17.204 20.370 ( 3.116 -13.375 -2.845) 14.025 21.660 ( -2.842 9.678 1.256) 10.164 21.877 ( 2.983 3.100 2.581) 5.017 29.392 ( 7.249 -1.966 -6.325) 9.820 30.243 ( 6.554 11.703 1.236) 13.471 31.644 ( 1.771 -3.637 -0.193) 4.050 31.823 ( -6.342 3.660 -1.001) 7.391 32.432 ( -2.211 -4.813 8.067) 9.651 32.700 ( -2.064 -5.550 -6.967) 9.143 35.759 ( 0.015 -1.759 2.162) 2.788 35.889 ( -2.112 -3.953 2.268) 5.023 36.456 ( -1.062 4.750 -3.576) 6.040 36.679 ( -0.550 1.959 -3.878) 4.379 51.413 ( 1.145 0.462 9.737) 9.815 52.702 ( 13.345 4.874 -3.918) 14.738 54.322 ( -1.978 2.770 0.343) 3.421 54.678 ( -8.980 -1.766 -2.288) 9.434 55.567 ( -7.398 -6.548 5.188) 11.159 56.642 ( 10.841 4.653 1.443) 11.885 58.062 ( -8.259 0.234 -15.405) 17.481 58.208 ( 5.842 -0.131 5.692) 8.158 59.810 ( -6.410 -1.502 5.318) 8.463 60.911 ( 2.235 -3.625 -1.261) 4.442 ======================= Grid point 706 (350/355) ======================= q-point: (-0.25 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( -33.744 0.000 10.312) 35.284 4.396 ( -37.799 0.000 -5.778) 38.238 5.061 ( -5.061 0.000 1.191) 5.199 6.165 ( -27.766 0.000 -1.531) 27.808 6.910 ( -28.381 0.000 42.580) 51.172 8.358 ( 20.604 -0.000 -35.291) 40.865 8.947 ( -30.331 0.000 5.896) 30.899 9.820 ( 5.108 -0.000 -10.599) 11.765 10.341 ( -13.283 0.000 4.629) 14.067 10.557 ( 13.894 -0.000 8.407) 16.240 11.427 ( 2.193 -0.000 10.799) 11.019 12.339 ( -16.343 0.000 -14.298) 21.715 12.931 ( 2.733 -0.000 -9.213) 9.610 14.171 ( 0.618 -0.000 7.424) 7.449 16.927 ( -21.879 0.000 12.431) 25.164 16.985 ( -7.579 0.000 -10.954) 13.321 18.278 ( -16.422 0.000 19.470) 25.471 19.722 ( 17.135 -0.000 19.777) 26.167 20.084 ( -1.849 0.000 -25.844) 25.910 20.154 ( 10.604 -0.000 -9.744) 14.401 21.781 ( 10.711 -0.000 4.263) 11.528 21.903 ( -3.389 0.000 1.445) 3.684 29.332 ( 2.548 -0.000 -8.908) 9.265 30.390 ( 8.938 -0.000 1.925) 9.143 31.483 ( 4.695 -0.000 -2.712) 5.422 31.932 ( 2.147 -0.000 1.358) 2.540 32.376 ( -12.788 0.000 14.555) 19.375 32.678 ( -2.938 0.000 -8.639) 9.125 35.688 ( 0.934 -0.000 3.188) 3.322 35.845 ( -3.713 0.000 1.357) 3.953 36.527 ( 3.093 -0.000 1.405) 3.397 36.783 ( 0.908 -0.000 -8.058) 8.109 51.348 ( -2.211 0.000 12.161) 12.360 52.520 ( 19.590 -0.000 -6.931) 20.780 54.524 ( -6.331 0.000 -4.247) 7.624 54.916 ( -17.495 0.000 -5.666) 18.389 55.472 ( -7.307 0.000 8.919) 11.530 56.549 ( 9.775 -0.000 2.111) 10.000 58.077 ( 6.733 -0.000 4.246) 7.961 58.280 ( -4.279 0.000 -12.691) 13.393 59.899 ( -10.782 0.000 4.410) 11.649 60.762 ( 4.507 -0.000 -1.451) 4.735 ======================= Grid point 707 (351/355) ======================= q-point: (-0.17 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -35.003 8.114 19.030) 40.660 3.934 ( -30.051 -8.391 8.254) 32.274 4.943 ( -9.170 6.011 4.473) 11.842 5.809 ( -26.876 -9.658 -0.378) 28.561 6.778 ( -28.780 -0.879 40.692) 49.848 8.356 ( -0.502 0.537 -15.410) 15.427 8.590 ( -8.364 1.591 -12.334) 14.988 9.793 ( 3.247 2.853 -6.885) 8.130 10.238 ( -10.348 -6.634 3.268) 12.719 10.768 ( 3.251 0.981 11.261) 11.762 11.580 ( 9.922 3.775 8.238) 13.437 12.075 ( -9.245 -8.973 -12.722) 18.106 12.929 ( 3.749 1.432 -5.483) 6.795 14.280 ( 4.599 -0.998 11.383) 12.317 16.654 ( -21.506 0.892 -14.173) 25.772 16.739 ( -19.147 -4.402 7.857) 21.159 18.265 ( -3.139 1.736 22.687) 22.969 19.794 ( 0.264 8.552 -7.501) 11.378 20.045 ( -0.381 -12.379 -8.814) 15.201 20.394 ( 23.954 0.846 0.965) 23.988 21.829 ( -4.787 3.947 3.237) 6.999 21.933 ( 6.663 1.213 2.622) 7.263 29.355 ( 7.829 -0.879 -7.741) 11.045 30.500 ( 10.494 7.529 -0.039) 12.916 31.545 ( 3.032 -3.575 -1.832) 5.034 31.886 ( -6.031 1.426 -2.432) 6.658 32.346 ( -6.666 -1.861 13.710) 15.358 32.589 ( -3.638 -2.949 -7.901) 9.185 35.731 ( 0.533 -0.463 4.332) 4.389 35.810 ( -3.260 -2.067 1.120) 4.019 36.555 ( 1.224 2.737 -0.406) 3.025 36.706 ( -2.206 0.297 -8.915) 9.189 51.425 ( 0.648 0.343 13.477) 13.497 52.781 ( 22.217 1.628 -6.392) 23.175 54.404 ( -4.098 2.995 -1.246) 5.226 54.649 ( -14.192 -0.909 -4.485) 14.911 55.443 ( -7.716 -3.108 8.430) 11.843 56.719 ( 11.996 1.675 2.374) 12.343 58.065 ( -9.646 0.059 -17.949) 20.377 58.205 ( 6.428 -0.078 4.994) 8.140 59.790 ( -9.526 -0.263 8.020) 12.455 60.828 ( 3.609 -2.427 -1.614) 4.639 ======================= Grid point 708 (352/355) ======================= q-point: (-0.08 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -25.432 2.117 24.839) 35.612 3.827 ( -19.694 -14.213 22.547) 33.139 4.771 ( -5.528 5.523 5.652) 9.644 5.604 ( -25.473 -18.286 2.263) 31.438 6.680 ( -28.507 -5.107 41.440) 50.557 8.135 ( -26.416 -5.680 14.546) 30.687 8.522 ( 24.510 5.774 -40.862) 47.997 9.782 ( 1.506 -0.795 -2.037) 2.655 10.209 ( -7.167 -6.647 0.288) 9.779 10.757 ( -7.192 4.811 6.721) 10.957 11.607 ( 0.801 7.763 0.595) 7.827 12.212 ( 8.823 -15.596 -0.082) 17.919 12.921 ( 2.827 1.956 -4.389) 5.574 14.485 ( 8.305 -1.922 13.985) 16.378 16.146 ( -29.311 -3.600 -21.735) 36.667 16.642 ( -12.927 -8.945 7.128) 17.261 18.460 ( 10.752 3.532 24.974) 27.418 19.666 ( 1.987 5.705 -7.738) 9.817 20.108 ( -1.903 -12.491 -9.663) 15.907 20.738 ( 21.514 2.628 5.156) 22.279 21.694 ( -8.093 7.487 3.891) 11.692 21.991 ( 3.579 3.990 1.429) 5.547 29.473 ( 12.622 -1.522 -5.947) 14.036 30.512 ( 9.121 13.103 -0.970) 15.994 31.610 ( -0.323 -3.439 -0.367) 3.473 31.727 ( -9.401 2.099 -2.570) 9.969 32.392 ( -2.849 -5.033 6.988) 9.071 32.537 ( -3.444 -6.211 -7.435) 10.282 35.746 ( -1.665 -0.434 1.119) 2.052 35.844 ( -0.101 -4.103 4.453) 6.056 36.442 ( -5.176 6.014 -6.977) 10.566 36.642 ( -1.748 -1.061 -2.986) 3.619 51.542 ( 3.546 1.434 14.039) 14.551 52.967 ( 16.361 9.290 -8.614) 20.693 54.323 ( -2.706 2.525 -0.717) 3.770 54.531 ( -2.334 -6.660 1.131) 7.147 55.427 ( -8.456 -4.384 7.157) 11.914 56.843 ( 7.085 3.004 -4.959) 9.155 57.807 ( -7.615 -0.702 -13.416) 15.442 58.338 ( 5.886 -0.194 6.364) 8.671 59.748 ( -6.079 -1.464 9.987) 11.783 60.889 ( 1.539 -2.912 -1.964) 3.835 ======================= Grid point 719 (353/355) ======================= q-point: (-0.17 -0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -32.427 0.000 28.123) 42.923 3.578 ( -23.869 0.000 24.587) 34.267 4.867 ( -13.163 0.000 10.948) 17.121 5.359 ( -23.404 0.000 -2.086) 23.497 6.611 ( -30.029 0.000 39.198) 49.378 8.068 ( -30.605 0.000 16.506) 34.772 8.595 ( 24.647 -0.000 -41.199) 48.008 9.790 ( 1.513 -0.000 -8.598) 8.731 10.090 ( -8.749 0.000 8.336) 12.085 10.842 ( -3.457 0.000 6.126) 7.034 11.798 ( -5.532 0.000 -10.924) 12.245 11.913 ( 16.681 -0.000 11.780) 20.421 12.944 ( 1.968 -0.000 -4.676) 5.074 14.458 ( 8.339 -0.000 13.667) 16.010 16.104 ( -31.610 0.000 -24.072) 39.733 16.528 ( -16.487 0.000 10.556) 19.577 18.507 ( 11.827 -0.000 24.694) 27.380 19.816 ( 5.249 -0.000 -17.688) 18.450 19.872 ( -4.918 0.000 0.872) 4.994 20.771 ( 22.149 -0.000 4.960) 22.698 21.786 ( -8.165 0.000 6.019) 10.144 22.042 ( 4.707 -0.000 0.647) 4.751 29.453 ( 12.965 -0.000 -6.255) 14.395 30.709 ( 11.908 -0.000 -3.305) 12.359 31.538 ( 0.773 -0.000 -1.008) 1.270 31.754 ( -9.282 0.000 -3.795) 10.028 32.333 ( -6.522 0.000 11.801) 13.483 32.452 ( -4.349 0.000 -8.553) 9.596 35.753 ( -2.691 0.000 0.022) 2.691 35.778 ( 0.669 -0.000 6.406) 6.441 36.559 ( -7.145 0.000 -11.046) 13.155 36.589 ( 0.138 -0.000 -0.329) 0.357 51.561 ( 3.359 -0.000 16.346) 16.688 53.086 ( 24.119 -0.000 -11.230) 26.606 54.389 ( 0.257 -0.000 1.924) 1.941 54.422 ( -11.048 0.000 -3.804) 11.684 55.370 ( -8.242 0.000 9.239) 12.381 56.876 ( 4.880 -0.000 -7.061) 8.584 57.799 ( -6.601 0.000 -12.517) 14.150 58.335 ( 5.985 -0.000 5.952) 8.441 59.733 ( -7.489 0.000 12.660) 14.709 60.846 ( 2.462 -0.000 -2.205) 3.305 ======================= Grid point 720 (354/355) ======================= q-point: (-0.08 -0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -24.318 1.936 31.500) 39.842 3.583 ( -18.022 -13.867 34.479) 41.303 4.776 ( -6.999 0.309 12.859) 14.644 5.111 ( -15.886 -8.599 -2.781) 18.277 6.478 ( -29.352 -4.308 41.705) 51.180 7.800 ( -26.137 -4.434 20.615) 33.583 8.655 ( 25.444 2.423 -43.276) 50.260 9.744 ( -1.556 -1.914 -6.208) 6.680 10.080 ( -4.385 -3.078 8.202) 9.797 10.751 ( -7.327 5.404 1.704) 9.262 11.675 ( 1.032 4.746 -3.851) 6.198 12.248 ( 9.495 -7.953 7.293) 14.374 12.932 ( 1.042 0.086 -3.467) 3.621 14.648 ( 1.115 -0.954 6.243) 6.413 15.524 ( -22.405 -4.281 -20.127) 30.420 16.409 ( -13.090 -6.040 7.300) 16.159 18.918 ( 23.710 2.667 18.443) 30.156 19.734 ( 1.521 5.864 -1.972) 6.371 19.912 ( 3.094 -8.534 -6.578) 11.210 21.094 ( 18.334 1.480 5.384) 19.165 21.666 ( -11.116 4.803 7.029) 14.001 22.071 ( 1.221 2.466 -0.518) 2.800 29.643 ( 17.217 -0.621 -4.124) 17.715 30.778 ( 9.627 9.841 -4.134) 14.374 31.548 ( -2.815 -2.581 -0.239) 3.827 31.576 ( -10.035 0.781 -4.153) 10.888 32.314 ( -7.184 -3.681 6.485) 10.354 32.360 ( -3.499 -4.894 -8.672) 10.555 35.722 ( -1.281 0.022 -0.240) 1.304 35.851 ( 0.624 -2.347 6.888) 7.304 36.336 ( -9.612 3.390 -8.267) 13.124 36.580 ( -2.093 -1.319 -1.940) 3.144 51.743 ( 5.930 1.529 18.294) 19.292 53.235 ( 14.718 9.459 -16.673) 24.168 54.270 ( -4.692 0.280 -2.293) 5.230 54.519 ( 9.527 -6.389 3.925) 12.124 55.320 ( -8.946 -1.443 8.583) 12.481 56.634 ( -21.988 -3.254 -24.539) 33.109 57.847 ( 16.809 2.493 3.530) 17.355 58.459 ( 4.607 -0.174 6.904) 8.302 59.755 ( -2.975 -0.442 15.208) 15.502 60.859 ( 0.155 -1.383 -3.032) 3.336 ======================= Grid point 732 (355/355) ======================= q-point: (-0.08 -0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -20.220 0.000 34.035) 39.588 3.447 ( -20.599 0.000 31.291) 37.463 4.798 ( -1.027 0.000 13.229) 13.269 4.936 ( 1.145 -0.000 -5.206) 5.331 6.344 ( -26.186 0.000 47.069) 53.863 7.577 ( -20.202 0.000 20.824) 29.013 8.720 ( 22.318 -0.000 -40.059) 45.856 9.617 ( -6.794 0.000 -7.528) 10.140 10.115 ( 1.372 -0.000 9.898) 9.993 10.674 ( -7.909 0.000 -1.074) 7.982 11.742 ( 7.342 -0.000 -1.336) 7.462 12.333 ( 0.546 -0.000 6.610) 6.633 12.920 ( 0.569 -0.000 -1.813) 1.901 14.354 ( -28.524 0.000 -21.615) 35.789 15.377 ( 10.986 -0.000 2.659) 11.303 16.232 ( -12.004 0.000 5.389) 13.158 19.331 ( 19.496 -0.000 -2.969) 19.720 19.689 ( -7.808 0.000 0.698) 7.839 20.127 ( 29.271 -0.000 7.327) 30.174 21.377 ( 13.359 -0.000 6.178) 14.718 21.569 ( -13.459 0.000 7.912) 15.612 22.072 ( -1.999 0.000 -1.948) 2.791 29.898 ( 20.517 -0.000 -1.524) 20.573 30.933 ( 7.210 -0.000 -5.557) 9.103 31.390 ( -10.898 0.000 -6.404) 12.640 31.475 ( -5.893 0.000 1.247) 6.023 32.196 ( -11.105 0.000 6.579) 12.907 32.224 ( -1.180 0.000 -9.911) 9.981 35.713 ( 0.682 -0.000 -0.774) 1.031 35.885 ( -1.697 0.000 6.780) 6.989 36.171 ( -7.558 0.000 -3.612) 8.377 36.518 ( -3.197 0.000 -3.110) 4.460 51.995 ( 7.709 -0.000 21.762) 23.087 53.328 ( 7.332 -0.000 -21.737) 22.941 54.215 ( 0.095 -0.000 -0.598) 0.605 54.695 ( 16.942 -0.000 -0.093) 16.942 55.244 ( -9.113 0.000 8.698) 12.598 55.970 ( -37.049 0.000 -23.723) 43.994 58.226 ( 24.862 -0.000 2.349) 24.973 58.558 ( 2.078 -0.000 7.314) 7.603 59.870 ( 3.360 -0.000 17.880) 18.193 60.813 ( -2.132 0.000 -4.480) 4.962 =================== 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 3/54432 10.0 1746.152 1599.058 2073.365 -0.000 668.439 -0.000 3/54432 20.0 816.177 841.336 998.665 -0.000 87.660 -0.000 3/54432 30.0 476.959 474.335 567.850 -0.000 -24.543 -0.000 3/54432 40.0 312.954 310.459 374.967 -0.000 -32.968 -0.000 3/54432 50.0 218.324 216.827 265.938 -0.000 -28.311 -0.000 3/54432 60.0 159.214 157.803 197.681 -0.000 -23.333 -0.000 3/54432 70.0 120.987 119.342 153.038 -0.000 -19.448 -0.000 3/54432 80.0 95.360 93.454 122.673 -0.000 -16.529 -0.000 3/54432 90.0 77.516 75.413 101.188 -0.000 -14.297 -0.000 3/54432 100.0 64.635 62.416 85.423 -0.000 -12.540 -0.000 3/54432 110.0 55.035 52.765 73.484 -0.000 -11.121 -0.000 3/54432 120.0 47.676 45.405 64.198 -0.000 -9.953 -0.000 3/54432 130.0 41.900 39.660 56.811 -0.000 -8.975 -0.000 3/54432 140.0 37.270 35.083 50.822 -0.000 -8.147 -0.000 3/54432 150.0 33.494 31.372 45.885 -0.000 -7.440 -0.000 3/54432 160.0 30.364 28.314 41.758 -0.000 -6.832 -0.000 3/54432 170.0 27.735 25.759 38.266 -0.000 -6.304 -0.000 3/54432 180.0 25.500 23.599 35.278 -0.000 -5.845 -0.000 3/54432 190.0 23.580 21.752 32.696 -0.000 -5.441 -0.000 3/54432 200.0 21.914 20.157 30.446 -0.000 -5.085 -0.000 3/54432 210.0 20.457 18.769 28.471 -0.000 -4.770 -0.000 3/54432 220.0 19.174 17.550 26.724 -0.000 -4.488 -0.000 3/54432 230.0 18.035 16.473 25.169 -0.000 -4.236 -0.000 3/54432 240.0 17.019 15.515 23.778 -0.000 -4.009 -0.000 3/54432 250.0 16.107 14.658 22.526 -0.000 -3.805 -0.000 3/54432 260.0 15.284 13.887 21.395 -0.000 -3.619 -0.000 3/54432 270.0 14.539 13.191 20.368 -0.000 -3.449 -0.000 3/54432 280.0 13.861 12.559 19.432 -0.000 -3.294 -0.000 3/54432 290.0 13.241 11.983 18.576 -0.000 -3.152 -0.000 3/54432 300.0 12.674 11.456 17.790 -0.000 -3.021 -0.000 3/54432 310.0 12.152 10.973 17.066 -0.000 -2.901 -0.000 3/54432 320.0 11.670 10.527 16.397 -0.000 -2.789 -0.000 3/54432 330.0 11.224 10.116 15.777 -0.000 -2.685 -0.000 3/54432 340.0 10.811 9.735 15.202 -0.000 -2.588 -0.000 3/54432 350.0 10.426 9.382 14.666 -0.000 -2.498 -0.000 3/54432 360.0 10.068 9.052 14.166 -0.000 -2.414 -0.000 3/54432 370.0 9.733 8.745 13.698 -0.000 -2.335 -0.000 3/54432 380.0 9.420 8.458 13.260 -0.000 -2.261 -0.000 3/54432 390.0 9.126 8.189 12.849 -0.000 -2.191 -0.000 3/54432 400.0 8.850 7.937 12.462 -0.000 -2.125 -0.000 3/54432 410.0 8.590 7.699 12.097 -0.000 -2.063 -0.000 3/54432 420.0 8.344 7.475 11.753 -0.000 -2.004 -0.000 3/54432 430.0 8.113 7.264 11.428 -0.000 -1.948 -0.000 3/54432 440.0 7.894 7.065 11.120 -0.000 -1.895 -0.000 3/54432 450.0 7.686 6.876 10.828 -0.000 -1.845 -0.000 3/54432 460.0 7.489 6.697 10.551 -0.000 -1.798 -0.000 3/54432 470.0 7.303 6.527 10.287 -0.000 -1.752 -0.000 3/54432 480.0 7.125 6.365 10.037 -0.000 -1.709 -0.000 3/54432 490.0 6.956 6.212 9.798 -0.000 -1.668 -0.000 3/54432 500.0 6.794 6.065 9.570 -0.000 -1.628 -0.000 3/54432 510.0 6.640 5.926 9.353 -0.000 -1.591 -0.000 3/54432 520.0 6.493 5.793 9.145 -0.000 -1.555 -0.000 3/54432 530.0 6.353 5.666 8.947 -0.000 -1.520 -0.000 3/54432 540.0 6.218 5.544 8.756 -0.000 -1.487 -0.000 3/54432 550.0 6.089 5.427 8.574 -0.000 -1.455 -0.000 3/54432 560.0 5.966 5.316 8.399 -0.000 -1.425 -0.000 3/54432 570.0 5.847 5.208 8.231 -0.000 -1.395 -0.000 3/54432 580.0 5.733 5.106 8.070 -0.000 -1.367 -0.000 3/54432 590.0 5.624 5.007 7.915 -0.000 -1.340 -0.000 3/54432 600.0 5.519 4.912 7.766 -0.000 -1.314 -0.000 3/54432 610.0 5.417 4.820 7.622 -0.000 -1.289 -0.000 3/54432 620.0 5.320 4.732 7.483 -0.000 -1.265 -0.000 3/54432 630.0 5.226 4.648 7.350 -0.000 -1.241 -0.000 3/54432 640.0 5.135 4.566 7.221 -0.000 -1.219 -0.000 3/54432 650.0 5.048 4.487 7.097 -0.000 -1.197 -0.000 3/54432 660.0 4.963 4.411 6.977 -0.000 -1.176 -0.000 3/54432 670.0 4.881 4.337 6.861 -0.000 -1.156 -0.000 3/54432 680.0 4.802 4.266 6.749 -0.000 -1.136 -0.000 3/54432 690.0 4.726 4.197 6.640 -0.000 -1.117 -0.000 3/54432 700.0 4.652 4.131 6.535 -0.000 -1.098 -0.000 3/54432 710.0 4.580 4.066 6.433 -0.000 -1.081 -0.000 3/54432 720.0 4.511 4.004 6.335 -0.000 -1.063 -0.000 3/54432 730.0 4.443 3.944 6.239 -0.000 -1.047 -0.000 3/54432 740.0 4.378 3.885 6.146 -0.000 -1.030 -0.000 3/54432 750.0 4.315 3.828 6.056 -0.000 -1.015 -0.000 3/54432 760.0 4.253 3.773 5.969 -0.000 -0.999 -0.000 3/54432 770.0 4.194 3.719 5.884 -0.000 -0.984 -0.000 3/54432 780.0 4.135 3.667 5.802 -0.000 -0.970 -0.000 3/54432 790.0 4.079 3.616 5.722 -0.000 -0.956 -0.000 3/54432 800.0 4.024 3.567 5.644 -0.000 -0.942 -0.000 3/54432 810.0 3.971 3.519 5.568 -0.000 -0.929 -0.000 3/54432 820.0 3.919 3.473 5.494 -0.000 -0.916 -0.000 3/54432 830.0 3.868 3.428 5.422 -0.000 -0.903 -0.000 3/54432 840.0 3.819 3.383 5.353 -0.000 -0.891 -0.000 3/54432 850.0 3.771 3.340 5.284 -0.000 -0.879 -0.000 3/54432 860.0 3.724 3.299 5.218 -0.000 -0.868 -0.000 3/54432 870.0 3.679 3.258 5.153 -0.000 -0.856 -0.000 3/54432 880.0 3.634 3.218 5.090 -0.000 -0.845 -0.000 3/54432 890.0 3.591 3.179 5.029 -0.000 -0.835 -0.000 3/54432 900.0 3.549 3.141 4.969 -0.000 -0.824 -0.000 3/54432 910.0 3.507 3.104 4.910 -0.000 -0.814 -0.000 3/54432 920.0 3.467 3.068 4.853 -0.000 -0.804 -0.000 3/54432 930.0 3.427 3.033 4.797 -0.000 -0.794 -0.000 3/54432 940.0 3.389 2.998 4.742 -0.000 -0.785 -0.000 3/54432 950.0 3.351 2.965 4.689 -0.000 -0.776 -0.000 3/54432 960.0 3.314 2.932 4.637 -0.000 -0.767 -0.000 3/54432 970.0 3.278 2.900 4.586 -0.000 -0.758 -0.000 3/54432 980.0 3.243 2.868 4.536 -0.000 -0.749 -0.000 3/54432 990.0 3.209 2.838 4.487 -0.000 -0.741 -0.000 3/54432 1000.0 3.175 2.808 4.439 -0.000 -0.732 -0.000 3/54432 Thermal conductivity related properties were written into "kappa-m12129.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|