----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:54:34]------------------------- 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: [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.612367945000000 -5.983637535000000 0.000000000000000 b 2.612367945000000 5.983637535000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442658949999999 Atomic positions (fractional): *1 Cs 0.31467800089431 0.68532199910569 0.75000000000000 132.905 2 Cs 0.68532199910569 0.31467800089431 0.25000000000000 132.905 *3 Cu 0.00202765583454 0.99797234416546 0.75000000000000 63.546 4 Cu 0.99797234416546 0.00202765583454 0.25000000000000 63.546 *5 O 0.10148253436316 0.89851746563684 0.00382047058827 15.999 6 O 0.89851746563684 0.10148253436316 0.99617952941173 15.999 7 O 0.89851746563684 0.10148253436316 0.50382047058827 15.999 8 O 0.10148253436316 0.89851746563684 0.49617952941173 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.224735890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.967275069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442658949999999 Atomic positions (fractional): *1 Cs 0.00000000000000 0.68532199910569 0.75000000000000 132.905 > 1 2 Cs 0.50000000000000 0.81467800089431 0.25000000000000 132.905 > 2 3 Cs 0.50000000000000 0.18532199910569 0.75000000000000 132.905 > 1 4 Cs 0.00000000000000 0.31467800089431 0.25000000000000 132.905 > 2 *5 Cu 0.00000000000000 0.99797234416546 0.75000000000000 63.546 > 3 6 Cu 0.50000000000000 0.50202765583454 0.25000000000000 63.546 > 4 7 Cu 0.50000000000000 0.49797234416546 0.75000000000000 63.546 > 3 8 Cu 0.00000000000000 0.00202765583454 0.25000000000000 63.546 > 4 *9 O 0.00000000000000 0.89851746563684 0.00382047058827 15.999 > 5 10 O 0.50000000000000 0.60148253436316 0.99617952941173 15.999 > 6 11 O 0.50000000000000 0.60148253436316 0.50382047058827 15.999 > 7 12 O 0.00000000000000 0.89851746563684 0.49617952941173 15.999 > 8 13 O 0.50000000000000 0.39851746563684 0.00382047058827 15.999 > 5 14 O 0.00000000000000 0.10148253436316 0.99617952941173 15.999 > 6 15 O 0.00000000000000 0.10148253436316 0.50382047058827 15.999 > 7 16 O 0.50000000000000 0.39851746563684 0.49617952941173 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.674207669999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.967275069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.327976849999999 Atomic positions (fractional): *1 Cs 0.00000000000000 0.68532199910569 0.25000000000000 132.905 > 1 2 Cs 0.33333333333333 0.68532199910569 0.25000000000000 132.905 > 1 3 Cs 0.66666666666667 0.68532199910569 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.68532199910569 0.58333333333333 132.905 > 1 5 Cs 0.33333333333333 0.68532199910569 0.58333333333333 132.905 > 1 6 Cs 0.66666666666667 0.68532199910569 0.58333333333333 132.905 > 1 7 Cs 0.00000000000000 0.68532199910569 0.91666666666667 132.905 > 1 8 Cs 0.33333333333333 0.68532199910569 0.91666666666667 132.905 > 1 9 Cs 0.66666666666667 0.68532199910569 0.91666666666667 132.905 > 1 10 Cs 0.16666666666667 0.81467800089431 0.08333333333333 132.905 > 2 11 Cs 0.50000000000000 0.81467800089431 0.08333333333333 132.905 > 2 12 Cs 0.83333333333333 0.81467800089431 0.08333333333333 132.905 > 2 13 Cs 0.16666666666667 0.81467800089431 0.41666666666667 132.905 > 2 14 Cs 0.50000000000000 0.81467800089431 0.41666666666667 132.905 > 2 15 Cs 0.83333333333333 0.81467800089431 0.41666666666667 132.905 > 2 16 Cs 0.16666666666667 0.81467800089431 0.75000000000000 132.905 > 2 17 Cs 0.50000000000000 0.81467800089431 0.75000000000000 132.905 > 2 18 Cs 0.83333333333333 0.81467800089431 0.75000000000000 132.905 > 2 19 Cs 0.16666666666667 0.18532199910569 0.25000000000000 132.905 > 1 20 Cs 0.50000000000000 0.18532199910569 0.25000000000000 132.905 > 1 21 Cs 0.83333333333333 0.18532199910569 0.25000000000000 132.905 > 1 22 Cs 0.16666666666667 0.18532199910569 0.58333333333333 132.905 > 1 23 Cs 0.50000000000000 0.18532199910569 0.58333333333333 132.905 > 1 24 Cs 0.83333333333333 0.18532199910569 0.58333333333333 132.905 > 1 25 Cs 0.16666666666667 0.18532199910569 0.91666666666667 132.905 > 1 26 Cs 0.50000000000000 0.18532199910569 0.91666666666667 132.905 > 1 27 Cs 0.83333333333333 0.18532199910569 0.91666666666667 132.905 > 1 28 Cs 0.00000000000000 0.31467800089431 0.08333333333333 132.905 > 2 29 Cs 0.33333333333333 0.31467800089431 0.08333333333333 132.905 > 2 30 Cs 0.66666666666667 0.31467800089431 0.08333333333333 132.905 > 2 31 Cs 0.00000000000000 0.31467800089431 0.41666666666667 132.905 > 2 32 Cs 0.33333333333333 0.31467800089431 0.41666666666667 132.905 > 2 33 Cs 0.66666666666667 0.31467800089431 0.41666666666667 132.905 > 2 34 Cs 0.00000000000000 0.31467800089431 0.75000000000000 132.905 > 2 35 Cs 0.33333333333333 0.31467800089431 0.75000000000000 132.905 > 2 36 Cs 0.66666666666667 0.31467800089431 0.75000000000000 132.905 > 2 *37 Cu 0.00000000000000 0.99797234416546 0.25000000000000 63.546 > 3 38 Cu 0.33333333333333 0.99797234416546 0.25000000000000 63.546 > 3 39 Cu 0.66666666666667 0.99797234416546 0.25000000000000 63.546 > 3 40 Cu 0.00000000000000 0.99797234416546 0.58333333333333 63.546 > 3 41 Cu 0.33333333333333 0.99797234416546 0.58333333333333 63.546 > 3 42 Cu 0.66666666666667 0.99797234416546 0.58333333333333 63.546 > 3 43 Cu 0.00000000000000 0.99797234416546 0.91666666666667 63.546 > 3 44 Cu 0.33333333333333 0.99797234416546 0.91666666666667 63.546 > 3 45 Cu 0.66666666666667 0.99797234416546 0.91666666666667 63.546 > 3 46 Cu 0.16666666666667 0.50202765583454 0.08333333333333 63.546 > 4 47 Cu 0.50000000000000 0.50202765583454 0.08333333333333 63.546 > 4 48 Cu 0.83333333333333 0.50202765583454 0.08333333333333 63.546 > 4 49 Cu 0.16666666666667 0.50202765583454 0.41666666666667 63.546 > 4 50 Cu 0.50000000000000 0.50202765583454 0.41666666666667 63.546 > 4 51 Cu 0.83333333333333 0.50202765583454 0.41666666666667 63.546 > 4 52 Cu 0.16666666666667 0.50202765583454 0.75000000000000 63.546 > 4 53 Cu 0.50000000000000 0.50202765583454 0.75000000000000 63.546 > 4 54 Cu 0.83333333333333 0.50202765583454 0.75000000000000 63.546 > 4 55 Cu 0.16666666666667 0.49797234416546 0.25000000000000 63.546 > 3 56 Cu 0.50000000000000 0.49797234416546 0.25000000000000 63.546 > 3 57 Cu 0.83333333333333 0.49797234416546 0.25000000000000 63.546 > 3 58 Cu 0.16666666666667 0.49797234416546 0.58333333333333 63.546 > 3 59 Cu 0.50000000000000 0.49797234416546 0.58333333333333 63.546 > 3 60 Cu 0.83333333333333 0.49797234416546 0.58333333333333 63.546 > 3 61 Cu 0.16666666666667 0.49797234416546 0.91666666666667 63.546 > 3 62 Cu 0.50000000000000 0.49797234416546 0.91666666666667 63.546 > 3 63 Cu 0.83333333333333 0.49797234416546 0.91666666666667 63.546 > 3 64 Cu 0.00000000000000 0.00202765583454 0.08333333333333 63.546 > 4 65 Cu 0.33333333333333 0.00202765583454 0.08333333333333 63.546 > 4 66 Cu 0.66666666666667 0.00202765583454 0.08333333333333 63.546 > 4 67 Cu 0.00000000000000 0.00202765583454 0.41666666666667 63.546 > 4 68 Cu 0.33333333333333 0.00202765583454 0.41666666666667 63.546 > 4 69 Cu 0.66666666666667 0.00202765583454 0.41666666666667 63.546 > 4 70 Cu 0.00000000000000 0.00202765583454 0.75000000000000 63.546 > 4 71 Cu 0.33333333333333 0.00202765583454 0.75000000000000 63.546 > 4 72 Cu 0.66666666666667 0.00202765583454 0.75000000000000 63.546 > 4 *73 O 0.00000000000000 0.89851746563684 0.00127349019609 15.999 > 5 74 O 0.33333333333333 0.89851746563684 0.00127349019609 15.999 > 5 75 O 0.66666666666667 0.89851746563684 0.00127349019609 15.999 > 5 76 O 0.00000000000000 0.89851746563684 0.33460682352942 15.999 > 5 77 O 0.33333333333333 0.89851746563684 0.33460682352942 15.999 > 5 78 O 0.66666666666667 0.89851746563684 0.33460682352942 15.999 > 5 79 O 0.00000000000000 0.89851746563684 0.66794015686276 15.999 > 5 80 O 0.33333333333333 0.89851746563684 0.66794015686276 15.999 > 5 81 O 0.66666666666667 0.89851746563684 0.66794015686276 15.999 > 5 82 O 0.16666666666667 0.60148253436316 0.33205984313724 15.999 > 6 83 O 0.50000000000000 0.60148253436316 0.33205984313724 15.999 > 6 84 O 0.83333333333333 0.60148253436316 0.33205984313724 15.999 > 6 85 O 0.16666666666667 0.60148253436316 0.66539317647058 15.999 > 6 86 O 0.50000000000000 0.60148253436316 0.66539317647058 15.999 > 6 87 O 0.83333333333333 0.60148253436316 0.66539317647058 15.999 > 6 88 O 0.16666666666667 0.60148253436316 0.99872650980391 15.999 > 6 89 O 0.50000000000000 0.60148253436316 0.99872650980391 15.999 > 6 90 O 0.83333333333333 0.60148253436316 0.99872650980391 15.999 > 6 91 O 0.16666666666667 0.60148253436316 0.16794015686276 15.999 > 7 92 O 0.50000000000000 0.60148253436316 0.16794015686276 15.999 > 7 93 O 0.83333333333333 0.60148253436316 0.16794015686276 15.999 > 7 94 O 0.16666666666667 0.60148253436316 0.50127349019609 15.999 > 7 95 O 0.50000000000000 0.60148253436316 0.50127349019609 15.999 > 7 96 O 0.83333333333333 0.60148253436316 0.50127349019609 15.999 > 7 97 O 0.16666666666667 0.60148253436316 0.83460682352942 15.999 > 7 98 O 0.50000000000000 0.60148253436316 0.83460682352942 15.999 > 7 99 O 0.83333333333333 0.60148253436316 0.83460682352942 15.999 > 7 100 O 0.00000000000000 0.89851746563684 0.16539317647058 15.999 > 8 101 O 0.33333333333333 0.89851746563684 0.16539317647058 15.999 > 8 102 O 0.66666666666667 0.89851746563684 0.16539317647058 15.999 > 8 103 O 0.00000000000000 0.89851746563684 0.49872650980391 15.999 > 8 104 O 0.33333333333333 0.89851746563684 0.49872650980391 15.999 > 8 105 O 0.66666666666667 0.89851746563684 0.49872650980391 15.999 > 8 106 O 0.00000000000000 0.89851746563684 0.83205984313724 15.999 > 8 107 O 0.33333333333333 0.89851746563684 0.83205984313724 15.999 > 8 108 O 0.66666666666667 0.89851746563684 0.83205984313724 15.999 > 8 109 O 0.16666666666667 0.39851746563684 0.00127349019609 15.999 > 5 110 O 0.50000000000000 0.39851746563684 0.00127349019609 15.999 > 5 111 O 0.83333333333333 0.39851746563684 0.00127349019609 15.999 > 5 112 O 0.16666666666667 0.39851746563684 0.33460682352942 15.999 > 5 113 O 0.50000000000000 0.39851746563684 0.33460682352942 15.999 > 5 114 O 0.83333333333333 0.39851746563684 0.33460682352942 15.999 > 5 115 O 0.16666666666667 0.39851746563684 0.66794015686276 15.999 > 5 116 O 0.50000000000000 0.39851746563684 0.66794015686276 15.999 > 5 117 O 0.83333333333333 0.39851746563684 0.66794015686276 15.999 > 5 118 O 0.00000000000000 0.10148253436316 0.33205984313724 15.999 > 6 119 O 0.33333333333333 0.10148253436316 0.33205984313724 15.999 > 6 120 O 0.66666666666667 0.10148253436316 0.33205984313724 15.999 > 6 121 O 0.00000000000000 0.10148253436316 0.66539317647058 15.999 > 6 122 O 0.33333333333333 0.10148253436316 0.66539317647058 15.999 > 6 123 O 0.66666666666667 0.10148253436316 0.66539317647058 15.999 > 6 124 O 0.00000000000000 0.10148253436316 0.99872650980391 15.999 > 6 125 O 0.33333333333333 0.10148253436316 0.99872650980391 15.999 > 6 126 O 0.66666666666667 0.10148253436316 0.99872650980391 15.999 > 6 127 O 0.00000000000000 0.10148253436316 0.16794015686276 15.999 > 7 128 O 0.33333333333333 0.10148253436316 0.16794015686276 15.999 > 7 129 O 0.66666666666667 0.10148253436316 0.16794015686276 15.999 > 7 130 O 0.00000000000000 0.10148253436316 0.50127349019609 15.999 > 7 131 O 0.33333333333333 0.10148253436316 0.50127349019609 15.999 > 7 132 O 0.66666666666667 0.10148253436316 0.50127349019609 15.999 > 7 133 O 0.00000000000000 0.10148253436316 0.83460682352942 15.999 > 7 134 O 0.33333333333333 0.10148253436316 0.83460682352942 15.999 > 7 135 O 0.66666666666667 0.10148253436316 0.83460682352942 15.999 > 7 136 O 0.16666666666667 0.39851746563684 0.16539317647058 15.999 > 8 137 O 0.50000000000000 0.39851746563684 0.16539317647058 15.999 > 8 138 O 0.83333333333333 0.39851746563684 0.16539317647058 15.999 > 8 139 O 0.16666666666667 0.39851746563684 0.49872650980391 15.999 > 8 140 O 0.50000000000000 0.39851746563684 0.49872650980391 15.999 > 8 141 O 0.83333333333333 0.39851746563684 0.49872650980391 15.999 > 8 142 O 0.16666666666667 0.39851746563684 0.83205984313724 15.999 > 8 143 O 0.50000000000000 0.39851746563684 0.83205984313724 15.999 > 8 144 O 0.83333333333333 0.39851746563684 0.83205984313724 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6926979 0.0000000 0.0000000 0.0000000 3.4812513 0.0000000 0.0000000 0.0000000 5.8880516 -------------------------- Born effective charges -------------------------- 1 Cs 1.4470932 0.0000000 0.0000000 0.0000000 1.5258131 0.0000000 0.0000000 0.0000000 1.0577005 2 Cs 1.4470932 0.0000000 0.0000000 0.0000000 1.5258131 0.0000000 0.0000000 0.0000000 1.0577005 3 Cu 0.0932706 0.0000000 0.0000000 0.0000000 0.7867450 0.0000000 0.0000000 0.0000000 4.1749814 4 Cu 0.0932706 0.0000000 0.0000000 0.0000000 0.7867450 0.0000000 0.0000000 0.0000000 4.1749814 5 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 0.0133536 0.0000000 -0.0688025 -2.6163409 6 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 0.0133536 0.0000000 -0.0688025 -2.6163409 7 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 -0.0133536 0.0000000 0.0688025 -2.6163409 8 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 -0.0133536 0.0000000 0.0688025 -2.6163409 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 776 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: 176 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (776, 765), data: False |-- (88, 88), data: True |-- (104, 104), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (176, 174), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 0.929 Solver_block: 160 / 160 - Time: 0.609 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.559 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 776 Number of blocks in projector: 776 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: 176 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (776, 765), data: False |-- (88, 88), data: True |-- (104, 104), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (136, 133), data: True |-- (176, 174), 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 10:54:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:54:45]------------------------- 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): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.612367945000000 -5.983637535000000 0.000000000000000 b 2.612367945000000 5.983637535000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442658949999999 Atomic positions (fractional): 1 Cs 0.31467800089431 0.68532199910569 0.75000000000000 132.905 2 Cs 0.68532199910569 0.31467800089431 0.25000000000000 132.905 3 Cu 0.00202765583454 0.99797234416546 0.75000000000000 63.546 4 Cu 0.99797234416546 0.00202765583454 0.25000000000000 63.546 5 O 0.10148253436316 0.89851746563684 0.00382047058827 15.999 6 O 0.89851746563684 0.10148253436316 0.99617952941173 15.999 7 O 0.89851746563684 0.10148253436316 0.50382047058827 15.999 8 O 0.10148253436316 0.89851746563684 0.49617952941173 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.674207669999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.967275069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.327976849999999 Atomic positions (fractional): 1 Cs 0.00000000000000 0.68532199910569 0.25000000000000 132.905 > 1 2 Cs 0.33333333333333 0.68532199910569 0.25000000000000 132.905 > 1 3 Cs 0.66666666666667 0.68532199910569 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.68532199910569 0.58333333333333 132.905 > 1 5 Cs 0.33333333333333 0.68532199910569 0.58333333333333 132.905 > 1 6 Cs 0.66666666666667 0.68532199910569 0.58333333333333 132.905 > 1 7 Cs 0.00000000000000 0.68532199910569 0.91666666666667 132.905 > 1 8 Cs 0.33333333333333 0.68532199910569 0.91666666666667 132.905 > 1 9 Cs 0.66666666666667 0.68532199910569 0.91666666666667 132.905 > 1 10 Cs 0.16666666666667 0.81467800089431 0.08333333333333 132.905 > 10 11 Cs 0.50000000000000 0.81467800089431 0.08333333333333 132.905 > 10 12 Cs 0.83333333333333 0.81467800089431 0.08333333333333 132.905 > 10 13 Cs 0.16666666666667 0.81467800089431 0.41666666666667 132.905 > 10 14 Cs 0.50000000000000 0.81467800089431 0.41666666666667 132.905 > 10 15 Cs 0.83333333333333 0.81467800089431 0.41666666666667 132.905 > 10 16 Cs 0.16666666666667 0.81467800089431 0.75000000000000 132.905 > 10 17 Cs 0.50000000000000 0.81467800089431 0.75000000000000 132.905 > 10 18 Cs 0.83333333333333 0.81467800089431 0.75000000000000 132.905 > 10 19 Cs 0.16666666666667 0.18532199910569 0.25000000000000 132.905 > 1 20 Cs 0.50000000000000 0.18532199910569 0.25000000000000 132.905 > 1 21 Cs 0.83333333333333 0.18532199910569 0.25000000000000 132.905 > 1 22 Cs 0.16666666666667 0.18532199910569 0.58333333333333 132.905 > 1 23 Cs 0.50000000000000 0.18532199910569 0.58333333333333 132.905 > 1 24 Cs 0.83333333333333 0.18532199910569 0.58333333333333 132.905 > 1 25 Cs 0.16666666666667 0.18532199910569 0.91666666666667 132.905 > 1 26 Cs 0.50000000000000 0.18532199910569 0.91666666666667 132.905 > 1 27 Cs 0.83333333333333 0.18532199910569 0.91666666666667 132.905 > 1 28 Cs 0.00000000000000 0.31467800089431 0.08333333333333 132.905 > 10 29 Cs 0.33333333333333 0.31467800089431 0.08333333333333 132.905 > 10 30 Cs 0.66666666666667 0.31467800089431 0.08333333333333 132.905 > 10 31 Cs 0.00000000000000 0.31467800089431 0.41666666666667 132.905 > 10 32 Cs 0.33333333333333 0.31467800089431 0.41666666666667 132.905 > 10 33 Cs 0.66666666666667 0.31467800089431 0.41666666666667 132.905 > 10 34 Cs 0.00000000000000 0.31467800089431 0.75000000000000 132.905 > 10 35 Cs 0.33333333333333 0.31467800089431 0.75000000000000 132.905 > 10 36 Cs 0.66666666666667 0.31467800089431 0.75000000000000 132.905 > 10 37 Cu 0.00000000000000 0.99797234416546 0.25000000000000 63.546 > 37 38 Cu 0.33333333333333 0.99797234416546 0.25000000000000 63.546 > 37 39 Cu 0.66666666666667 0.99797234416546 0.25000000000000 63.546 > 37 40 Cu 0.00000000000000 0.99797234416546 0.58333333333333 63.546 > 37 41 Cu 0.33333333333333 0.99797234416546 0.58333333333333 63.546 > 37 42 Cu 0.66666666666667 0.99797234416546 0.58333333333333 63.546 > 37 43 Cu 0.00000000000000 0.99797234416546 0.91666666666667 63.546 > 37 44 Cu 0.33333333333333 0.99797234416546 0.91666666666667 63.546 > 37 45 Cu 0.66666666666667 0.99797234416546 0.91666666666667 63.546 > 37 46 Cu 0.16666666666667 0.50202765583454 0.08333333333333 63.546 > 46 47 Cu 0.50000000000000 0.50202765583454 0.08333333333333 63.546 > 46 48 Cu 0.83333333333333 0.50202765583454 0.08333333333333 63.546 > 46 49 Cu 0.16666666666667 0.50202765583454 0.41666666666667 63.546 > 46 50 Cu 0.50000000000000 0.50202765583454 0.41666666666667 63.546 > 46 51 Cu 0.83333333333333 0.50202765583454 0.41666666666667 63.546 > 46 52 Cu 0.16666666666667 0.50202765583454 0.75000000000000 63.546 > 46 53 Cu 0.50000000000000 0.50202765583454 0.75000000000000 63.546 > 46 54 Cu 0.83333333333333 0.50202765583454 0.75000000000000 63.546 > 46 55 Cu 0.16666666666667 0.49797234416546 0.25000000000000 63.546 > 37 56 Cu 0.50000000000000 0.49797234416546 0.25000000000000 63.546 > 37 57 Cu 0.83333333333333 0.49797234416546 0.25000000000000 63.546 > 37 58 Cu 0.16666666666667 0.49797234416546 0.58333333333333 63.546 > 37 59 Cu 0.50000000000000 0.49797234416546 0.58333333333333 63.546 > 37 60 Cu 0.83333333333333 0.49797234416546 0.58333333333333 63.546 > 37 61 Cu 0.16666666666667 0.49797234416546 0.91666666666667 63.546 > 37 62 Cu 0.50000000000000 0.49797234416546 0.91666666666667 63.546 > 37 63 Cu 0.83333333333333 0.49797234416546 0.91666666666667 63.546 > 37 64 Cu 0.00000000000000 0.00202765583454 0.08333333333333 63.546 > 46 65 Cu 0.33333333333333 0.00202765583454 0.08333333333333 63.546 > 46 66 Cu 0.66666666666667 0.00202765583454 0.08333333333333 63.546 > 46 67 Cu 0.00000000000000 0.00202765583454 0.41666666666667 63.546 > 46 68 Cu 0.33333333333333 0.00202765583454 0.41666666666667 63.546 > 46 69 Cu 0.66666666666667 0.00202765583454 0.41666666666667 63.546 > 46 70 Cu 0.00000000000000 0.00202765583454 0.75000000000000 63.546 > 46 71 Cu 0.33333333333333 0.00202765583454 0.75000000000000 63.546 > 46 72 Cu 0.66666666666667 0.00202765583454 0.75000000000000 63.546 > 46 73 O 0.00000000000000 0.89851746563684 0.00127349019609 15.999 > 73 74 O 0.33333333333333 0.89851746563684 0.00127349019609 15.999 > 73 75 O 0.66666666666667 0.89851746563684 0.00127349019609 15.999 > 73 76 O 0.00000000000000 0.89851746563684 0.33460682352942 15.999 > 73 77 O 0.33333333333333 0.89851746563684 0.33460682352942 15.999 > 73 78 O 0.66666666666667 0.89851746563684 0.33460682352942 15.999 > 73 79 O 0.00000000000000 0.89851746563684 0.66794015686276 15.999 > 73 80 O 0.33333333333333 0.89851746563684 0.66794015686276 15.999 > 73 81 O 0.66666666666667 0.89851746563684 0.66794015686276 15.999 > 73 82 O 0.16666666666667 0.60148253436316 0.33205984313724 15.999 > 82 83 O 0.50000000000000 0.60148253436316 0.33205984313724 15.999 > 82 84 O 0.83333333333333 0.60148253436316 0.33205984313724 15.999 > 82 85 O 0.16666666666667 0.60148253436316 0.66539317647058 15.999 > 82 86 O 0.50000000000000 0.60148253436316 0.66539317647058 15.999 > 82 87 O 0.83333333333333 0.60148253436316 0.66539317647058 15.999 > 82 88 O 0.16666666666667 0.60148253436316 0.99872650980391 15.999 > 82 89 O 0.50000000000000 0.60148253436316 0.99872650980391 15.999 > 82 90 O 0.83333333333333 0.60148253436316 0.99872650980391 15.999 > 82 91 O 0.16666666666667 0.60148253436316 0.16794015686276 15.999 > 91 92 O 0.50000000000000 0.60148253436316 0.16794015686276 15.999 > 91 93 O 0.83333333333333 0.60148253436316 0.16794015686276 15.999 > 91 94 O 0.16666666666667 0.60148253436316 0.50127349019609 15.999 > 91 95 O 0.50000000000000 0.60148253436316 0.50127349019609 15.999 > 91 96 O 0.83333333333333 0.60148253436316 0.50127349019609 15.999 > 91 97 O 0.16666666666667 0.60148253436316 0.83460682352942 15.999 > 91 98 O 0.50000000000000 0.60148253436316 0.83460682352942 15.999 > 91 99 O 0.83333333333333 0.60148253436316 0.83460682352942 15.999 > 91 100 O 0.00000000000000 0.89851746563684 0.16539317647058 15.999 > 100 101 O 0.33333333333333 0.89851746563684 0.16539317647058 15.999 > 100 102 O 0.66666666666667 0.89851746563684 0.16539317647058 15.999 > 100 103 O 0.00000000000000 0.89851746563684 0.49872650980391 15.999 > 100 104 O 0.33333333333333 0.89851746563684 0.49872650980391 15.999 > 100 105 O 0.66666666666667 0.89851746563684 0.49872650980391 15.999 > 100 106 O 0.00000000000000 0.89851746563684 0.83205984313724 15.999 > 100 107 O 0.33333333333333 0.89851746563684 0.83205984313724 15.999 > 100 108 O 0.66666666666667 0.89851746563684 0.83205984313724 15.999 > 100 109 O 0.16666666666667 0.39851746563684 0.00127349019609 15.999 > 73 110 O 0.50000000000000 0.39851746563684 0.00127349019609 15.999 > 73 111 O 0.83333333333333 0.39851746563684 0.00127349019609 15.999 > 73 112 O 0.16666666666667 0.39851746563684 0.33460682352942 15.999 > 73 113 O 0.50000000000000 0.39851746563684 0.33460682352942 15.999 > 73 114 O 0.83333333333333 0.39851746563684 0.33460682352942 15.999 > 73 115 O 0.16666666666667 0.39851746563684 0.66794015686276 15.999 > 73 116 O 0.50000000000000 0.39851746563684 0.66794015686276 15.999 > 73 117 O 0.83333333333333 0.39851746563684 0.66794015686276 15.999 > 73 118 O 0.00000000000000 0.10148253436316 0.33205984313724 15.999 > 82 119 O 0.33333333333333 0.10148253436316 0.33205984313724 15.999 > 82 120 O 0.66666666666667 0.10148253436316 0.33205984313724 15.999 > 82 121 O 0.00000000000000 0.10148253436316 0.66539317647058 15.999 > 82 122 O 0.33333333333333 0.10148253436316 0.66539317647058 15.999 > 82 123 O 0.66666666666667 0.10148253436316 0.66539317647058 15.999 > 82 124 O 0.00000000000000 0.10148253436316 0.99872650980391 15.999 > 82 125 O 0.33333333333333 0.10148253436316 0.99872650980391 15.999 > 82 126 O 0.66666666666667 0.10148253436316 0.99872650980391 15.999 > 82 127 O 0.00000000000000 0.10148253436316 0.16794015686276 15.999 > 91 128 O 0.33333333333333 0.10148253436316 0.16794015686276 15.999 > 91 129 O 0.66666666666667 0.10148253436316 0.16794015686276 15.999 > 91 130 O 0.00000000000000 0.10148253436316 0.50127349019609 15.999 > 91 131 O 0.33333333333333 0.10148253436316 0.50127349019609 15.999 > 91 132 O 0.66666666666667 0.10148253436316 0.50127349019609 15.999 > 91 133 O 0.00000000000000 0.10148253436316 0.83460682352942 15.999 > 91 134 O 0.33333333333333 0.10148253436316 0.83460682352942 15.999 > 91 135 O 0.66666666666667 0.10148253436316 0.83460682352942 15.999 > 91 136 O 0.16666666666667 0.39851746563684 0.16539317647058 15.999 > 100 137 O 0.50000000000000 0.39851746563684 0.16539317647058 15.999 > 100 138 O 0.83333333333333 0.39851746563684 0.16539317647058 15.999 > 100 139 O 0.16666666666667 0.39851746563684 0.49872650980391 15.999 > 100 140 O 0.50000000000000 0.39851746563684 0.49872650980391 15.999 > 100 141 O 0.83333333333333 0.39851746563684 0.49872650980391 15.999 > 100 142 O 0.16666666666667 0.39851746563684 0.83205984313724 15.999 > 100 143 O 0.50000000000000 0.39851746563684 0.83205984313724 15.999 > 100 144 O 0.83333333333333 0.39851746563684 0.83205984313724 15.999 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6926979 0.0000000 0.0000000 0.0000000 3.4812513 0.0000000 0.0000000 0.0000000 5.8880516 -------------------------- Born effective charges -------------------------- 1 Cs 1.4470932 0.0000000 0.0000000 0.0000000 1.5258131 0.0000000 0.0000000 0.0000000 1.0577005 2 Cs 1.4470932 0.0000000 0.0000000 0.0000000 1.5258131 0.0000000 0.0000000 0.0000000 1.0577005 3 Cu 0.0932706 0.0000000 0.0000000 0.0000000 0.7867450 0.0000000 0.0000000 0.0000000 4.1749814 4 Cu 0.0932706 0.0000000 0.0000000 0.0000000 0.7867450 0.0000000 0.0000000 0.0000000 4.1749814 5 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 0.0133536 0.0000000 -0.0688025 -2.6163409 6 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 0.0133536 0.0000000 -0.0688025 -2.6163409 7 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 -0.0133536 0.0000000 0.0688025 -2.6163409 8 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 -0.0133536 0.0000000 0.0688025 -2.6163409 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (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 10:54:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:54:57]------------------------- 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): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.612367945000000 -5.983637535000000 0.000000000000000 b 2.612367945000000 5.983637535000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.442658949999999 Atomic positions (fractional): 1 Cs 0.31467800089431 0.68532199910569 0.75000000000000 132.905 2 Cs 0.68532199910569 0.31467800089431 0.25000000000000 132.905 3 Cu 0.00202765583454 0.99797234416546 0.75000000000000 63.546 4 Cu 0.99797234416546 0.00202765583454 0.25000000000000 63.546 5 O 0.10148253436316 0.89851746563684 0.00382047058827 15.999 6 O 0.89851746563684 0.10148253436316 0.99617952941173 15.999 7 O 0.89851746563684 0.10148253436316 0.50382047058827 15.999 8 O 0.10148253436316 0.89851746563684 0.49617952941173 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.674207669999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.967275069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.327976849999999 Atomic positions (fractional): 1 Cs 0.00000000000000 0.68532199910569 0.25000000000000 132.905 > 1 2 Cs 0.33333333333333 0.68532199910569 0.25000000000000 132.905 > 1 3 Cs 0.66666666666667 0.68532199910569 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.68532199910569 0.58333333333333 132.905 > 1 5 Cs 0.33333333333333 0.68532199910569 0.58333333333333 132.905 > 1 6 Cs 0.66666666666667 0.68532199910569 0.58333333333333 132.905 > 1 7 Cs 0.00000000000000 0.68532199910569 0.91666666666667 132.905 > 1 8 Cs 0.33333333333333 0.68532199910569 0.91666666666667 132.905 > 1 9 Cs 0.66666666666667 0.68532199910569 0.91666666666667 132.905 > 1 10 Cs 0.16666666666667 0.81467800089431 0.08333333333333 132.905 > 10 11 Cs 0.50000000000000 0.81467800089431 0.08333333333333 132.905 > 10 12 Cs 0.83333333333333 0.81467800089431 0.08333333333333 132.905 > 10 13 Cs 0.16666666666667 0.81467800089431 0.41666666666667 132.905 > 10 14 Cs 0.50000000000000 0.81467800089431 0.41666666666667 132.905 > 10 15 Cs 0.83333333333333 0.81467800089431 0.41666666666667 132.905 > 10 16 Cs 0.16666666666667 0.81467800089431 0.75000000000000 132.905 > 10 17 Cs 0.50000000000000 0.81467800089431 0.75000000000000 132.905 > 10 18 Cs 0.83333333333333 0.81467800089431 0.75000000000000 132.905 > 10 19 Cs 0.16666666666667 0.18532199910569 0.25000000000000 132.905 > 1 20 Cs 0.50000000000000 0.18532199910569 0.25000000000000 132.905 > 1 21 Cs 0.83333333333333 0.18532199910569 0.25000000000000 132.905 > 1 22 Cs 0.16666666666667 0.18532199910569 0.58333333333333 132.905 > 1 23 Cs 0.50000000000000 0.18532199910569 0.58333333333333 132.905 > 1 24 Cs 0.83333333333333 0.18532199910569 0.58333333333333 132.905 > 1 25 Cs 0.16666666666667 0.18532199910569 0.91666666666667 132.905 > 1 26 Cs 0.50000000000000 0.18532199910569 0.91666666666667 132.905 > 1 27 Cs 0.83333333333333 0.18532199910569 0.91666666666667 132.905 > 1 28 Cs 0.00000000000000 0.31467800089431 0.08333333333333 132.905 > 10 29 Cs 0.33333333333333 0.31467800089431 0.08333333333333 132.905 > 10 30 Cs 0.66666666666667 0.31467800089431 0.08333333333333 132.905 > 10 31 Cs 0.00000000000000 0.31467800089431 0.41666666666667 132.905 > 10 32 Cs 0.33333333333333 0.31467800089431 0.41666666666667 132.905 > 10 33 Cs 0.66666666666667 0.31467800089431 0.41666666666667 132.905 > 10 34 Cs 0.00000000000000 0.31467800089431 0.75000000000000 132.905 > 10 35 Cs 0.33333333333333 0.31467800089431 0.75000000000000 132.905 > 10 36 Cs 0.66666666666667 0.31467800089431 0.75000000000000 132.905 > 10 37 Cu 0.00000000000000 0.99797234416546 0.25000000000000 63.546 > 37 38 Cu 0.33333333333333 0.99797234416546 0.25000000000000 63.546 > 37 39 Cu 0.66666666666667 0.99797234416546 0.25000000000000 63.546 > 37 40 Cu 0.00000000000000 0.99797234416546 0.58333333333333 63.546 > 37 41 Cu 0.33333333333333 0.99797234416546 0.58333333333333 63.546 > 37 42 Cu 0.66666666666667 0.99797234416546 0.58333333333333 63.546 > 37 43 Cu 0.00000000000000 0.99797234416546 0.91666666666667 63.546 > 37 44 Cu 0.33333333333333 0.99797234416546 0.91666666666667 63.546 > 37 45 Cu 0.66666666666667 0.99797234416546 0.91666666666667 63.546 > 37 46 Cu 0.16666666666667 0.50202765583454 0.08333333333333 63.546 > 46 47 Cu 0.50000000000000 0.50202765583454 0.08333333333333 63.546 > 46 48 Cu 0.83333333333333 0.50202765583454 0.08333333333333 63.546 > 46 49 Cu 0.16666666666667 0.50202765583454 0.41666666666667 63.546 > 46 50 Cu 0.50000000000000 0.50202765583454 0.41666666666667 63.546 > 46 51 Cu 0.83333333333333 0.50202765583454 0.41666666666667 63.546 > 46 52 Cu 0.16666666666667 0.50202765583454 0.75000000000000 63.546 > 46 53 Cu 0.50000000000000 0.50202765583454 0.75000000000000 63.546 > 46 54 Cu 0.83333333333333 0.50202765583454 0.75000000000000 63.546 > 46 55 Cu 0.16666666666667 0.49797234416546 0.25000000000000 63.546 > 37 56 Cu 0.50000000000000 0.49797234416546 0.25000000000000 63.546 > 37 57 Cu 0.83333333333333 0.49797234416546 0.25000000000000 63.546 > 37 58 Cu 0.16666666666667 0.49797234416546 0.58333333333333 63.546 > 37 59 Cu 0.50000000000000 0.49797234416546 0.58333333333333 63.546 > 37 60 Cu 0.83333333333333 0.49797234416546 0.58333333333333 63.546 > 37 61 Cu 0.16666666666667 0.49797234416546 0.91666666666667 63.546 > 37 62 Cu 0.50000000000000 0.49797234416546 0.91666666666667 63.546 > 37 63 Cu 0.83333333333333 0.49797234416546 0.91666666666667 63.546 > 37 64 Cu 0.00000000000000 0.00202765583454 0.08333333333333 63.546 > 46 65 Cu 0.33333333333333 0.00202765583454 0.08333333333333 63.546 > 46 66 Cu 0.66666666666667 0.00202765583454 0.08333333333333 63.546 > 46 67 Cu 0.00000000000000 0.00202765583454 0.41666666666667 63.546 > 46 68 Cu 0.33333333333333 0.00202765583454 0.41666666666667 63.546 > 46 69 Cu 0.66666666666667 0.00202765583454 0.41666666666667 63.546 > 46 70 Cu 0.00000000000000 0.00202765583454 0.75000000000000 63.546 > 46 71 Cu 0.33333333333333 0.00202765583454 0.75000000000000 63.546 > 46 72 Cu 0.66666666666667 0.00202765583454 0.75000000000000 63.546 > 46 73 O 0.00000000000000 0.89851746563684 0.00127349019609 15.999 > 73 74 O 0.33333333333333 0.89851746563684 0.00127349019609 15.999 > 73 75 O 0.66666666666667 0.89851746563684 0.00127349019609 15.999 > 73 76 O 0.00000000000000 0.89851746563684 0.33460682352942 15.999 > 73 77 O 0.33333333333333 0.89851746563684 0.33460682352942 15.999 > 73 78 O 0.66666666666667 0.89851746563684 0.33460682352942 15.999 > 73 79 O 0.00000000000000 0.89851746563684 0.66794015686276 15.999 > 73 80 O 0.33333333333333 0.89851746563684 0.66794015686276 15.999 > 73 81 O 0.66666666666667 0.89851746563684 0.66794015686276 15.999 > 73 82 O 0.16666666666667 0.60148253436316 0.33205984313724 15.999 > 82 83 O 0.50000000000000 0.60148253436316 0.33205984313724 15.999 > 82 84 O 0.83333333333333 0.60148253436316 0.33205984313724 15.999 > 82 85 O 0.16666666666667 0.60148253436316 0.66539317647058 15.999 > 82 86 O 0.50000000000000 0.60148253436316 0.66539317647058 15.999 > 82 87 O 0.83333333333333 0.60148253436316 0.66539317647058 15.999 > 82 88 O 0.16666666666667 0.60148253436316 0.99872650980391 15.999 > 82 89 O 0.50000000000000 0.60148253436316 0.99872650980391 15.999 > 82 90 O 0.83333333333333 0.60148253436316 0.99872650980391 15.999 > 82 91 O 0.16666666666667 0.60148253436316 0.16794015686276 15.999 > 91 92 O 0.50000000000000 0.60148253436316 0.16794015686276 15.999 > 91 93 O 0.83333333333333 0.60148253436316 0.16794015686276 15.999 > 91 94 O 0.16666666666667 0.60148253436316 0.50127349019609 15.999 > 91 95 O 0.50000000000000 0.60148253436316 0.50127349019609 15.999 > 91 96 O 0.83333333333333 0.60148253436316 0.50127349019609 15.999 > 91 97 O 0.16666666666667 0.60148253436316 0.83460682352942 15.999 > 91 98 O 0.50000000000000 0.60148253436316 0.83460682352942 15.999 > 91 99 O 0.83333333333333 0.60148253436316 0.83460682352942 15.999 > 91 100 O 0.00000000000000 0.89851746563684 0.16539317647058 15.999 > 100 101 O 0.33333333333333 0.89851746563684 0.16539317647058 15.999 > 100 102 O 0.66666666666667 0.89851746563684 0.16539317647058 15.999 > 100 103 O 0.00000000000000 0.89851746563684 0.49872650980391 15.999 > 100 104 O 0.33333333333333 0.89851746563684 0.49872650980391 15.999 > 100 105 O 0.66666666666667 0.89851746563684 0.49872650980391 15.999 > 100 106 O 0.00000000000000 0.89851746563684 0.83205984313724 15.999 > 100 107 O 0.33333333333333 0.89851746563684 0.83205984313724 15.999 > 100 108 O 0.66666666666667 0.89851746563684 0.83205984313724 15.999 > 100 109 O 0.16666666666667 0.39851746563684 0.00127349019609 15.999 > 73 110 O 0.50000000000000 0.39851746563684 0.00127349019609 15.999 > 73 111 O 0.83333333333333 0.39851746563684 0.00127349019609 15.999 > 73 112 O 0.16666666666667 0.39851746563684 0.33460682352942 15.999 > 73 113 O 0.50000000000000 0.39851746563684 0.33460682352942 15.999 > 73 114 O 0.83333333333333 0.39851746563684 0.33460682352942 15.999 > 73 115 O 0.16666666666667 0.39851746563684 0.66794015686276 15.999 > 73 116 O 0.50000000000000 0.39851746563684 0.66794015686276 15.999 > 73 117 O 0.83333333333333 0.39851746563684 0.66794015686276 15.999 > 73 118 O 0.00000000000000 0.10148253436316 0.33205984313724 15.999 > 82 119 O 0.33333333333333 0.10148253436316 0.33205984313724 15.999 > 82 120 O 0.66666666666667 0.10148253436316 0.33205984313724 15.999 > 82 121 O 0.00000000000000 0.10148253436316 0.66539317647058 15.999 > 82 122 O 0.33333333333333 0.10148253436316 0.66539317647058 15.999 > 82 123 O 0.66666666666667 0.10148253436316 0.66539317647058 15.999 > 82 124 O 0.00000000000000 0.10148253436316 0.99872650980391 15.999 > 82 125 O 0.33333333333333 0.10148253436316 0.99872650980391 15.999 > 82 126 O 0.66666666666667 0.10148253436316 0.99872650980391 15.999 > 82 127 O 0.00000000000000 0.10148253436316 0.16794015686276 15.999 > 91 128 O 0.33333333333333 0.10148253436316 0.16794015686276 15.999 > 91 129 O 0.66666666666667 0.10148253436316 0.16794015686276 15.999 > 91 130 O 0.00000000000000 0.10148253436316 0.50127349019609 15.999 > 91 131 O 0.33333333333333 0.10148253436316 0.50127349019609 15.999 > 91 132 O 0.66666666666667 0.10148253436316 0.50127349019609 15.999 > 91 133 O 0.00000000000000 0.10148253436316 0.83460682352942 15.999 > 91 134 O 0.33333333333333 0.10148253436316 0.83460682352942 15.999 > 91 135 O 0.66666666666667 0.10148253436316 0.83460682352942 15.999 > 91 136 O 0.16666666666667 0.39851746563684 0.16539317647058 15.999 > 100 137 O 0.50000000000000 0.39851746563684 0.16539317647058 15.999 > 100 138 O 0.83333333333333 0.39851746563684 0.16539317647058 15.999 > 100 139 O 0.16666666666667 0.39851746563684 0.49872650980391 15.999 > 100 140 O 0.50000000000000 0.39851746563684 0.49872650980391 15.999 > 100 141 O 0.83333333333333 0.39851746563684 0.49872650980391 15.999 > 100 142 O 0.16666666666667 0.39851746563684 0.83205984313724 15.999 > 100 143 O 0.50000000000000 0.39851746563684 0.83205984313724 15.999 > 100 144 O 0.83333333333333 0.39851746563684 0.83205984313724 15.999 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6926979 0.0000000 0.0000000 0.0000000 3.4812513 0.0000000 0.0000000 0.0000000 5.8880516 -------------------------- Born effective charges -------------------------- 1 Cs 1.4470932 0.0000000 0.0000000 0.0000000 1.5258131 0.0000000 0.0000000 0.0000000 1.0577005 2 Cs 1.4470932 0.0000000 0.0000000 0.0000000 1.5258131 0.0000000 0.0000000 0.0000000 1.0577005 3 Cu 0.0932706 0.0000000 0.0000000 0.0000000 0.7867450 0.0000000 0.0000000 0.0000000 4.1749814 4 Cu 0.0932706 0.0000000 0.0000000 0.0000000 0.7867450 0.0000000 0.0000000 0.0000000 4.1749814 5 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 0.0133536 0.0000000 -0.0688025 -2.6163409 6 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 0.0133536 0.0000000 -0.0688025 -2.6163409 7 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 -0.0133536 0.0000000 0.0688025 -2.6163409 8 O -0.7701819 0.0000000 0.0000000 0.0000000 -1.1562790 -0.0133536 0.0000000 0.0688025 -2.6163409 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (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 ... [ 10 10 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: 0.75, Number of G-points: 295, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 13.867 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 18.060 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 18.671 ( 0.000 0.000 0.000) 0.000 18.782 ( 0.000 0.000 0.000) 0.000 19.846 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 12.290 -1.905 0.000) 12.437 0.263 ( 9.848 -8.657 0.000) 13.112 0.594 ( 22.796 -18.303 0.000) 29.235 1.680 ( 0.439 1.083 0.000) 1.169 1.717 ( 13.035 1.328 0.000) 13.103 1.796 ( -2.473 -0.018 0.000) 2.473 2.176 ( -1.880 3.496 0.000) 3.970 3.085 ( 1.896 7.430 0.000) 7.668 3.276 ( 12.114 14.773 0.000) 19.104 3.473 ( 0.659 -0.424 0.000) 0.784 3.825 ( -11.375 -17.180 0.000) 20.604 5.547 ( 0.825 0.003 0.000) 0.825 6.553 ( -0.322 0.028 0.000) 0.323 7.440 ( -0.200 -0.745 0.000) 0.772 9.892 ( 9.666 22.816 0.000) 24.779 10.569 ( 0.021 0.103 0.000) 0.105 13.872 ( 0.411 -0.125 0.000) 0.430 15.052 ( 0.044 0.058 0.000) 0.073 17.771 ( -0.855 0.676 0.000) 1.090 18.055 ( -0.528 0.048 0.000) 0.531 18.538 ( 0.118 -0.069 0.000) 0.137 18.671 ( -0.212 -0.501 0.000) 0.544 18.786 ( 0.337 0.049 0.000) 0.340 19.962 ( -10.167 -22.633 0.000) 24.812 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 11.075 -1.511 0.000) 11.178 0.519 ( 9.607 -7.821 0.000) 12.388 1.173 ( 21.751 -17.697 0.000) 28.041 1.672 ( -0.255 2.509 0.000) 2.522 1.735 ( -3.516 -0.593 0.000) 3.566 1.969 ( 12.608 2.383 0.000) 12.831 2.092 ( -2.910 4.854 0.000) 5.659 3.086 ( 4.381 6.485 0.000) 7.826 3.406 ( 8.158 1.853 0.000) 8.366 3.494 ( 0.915 -0.591 0.000) 1.089 3.726 ( -7.840 -5.506 0.000) 9.581 5.568 ( 1.357 0.031 0.000) 1.357 6.544 ( -0.520 0.047 0.000) 0.522 7.443 ( -0.365 -1.204 0.000) 1.258 9.885 ( 4.432 11.180 0.000) 12.027 10.569 ( 0.026 0.170 0.000) 0.172 13.884 ( 0.655 -0.197 0.000) 0.683 15.052 ( 0.055 0.106 0.000) 0.119 17.742 ( -1.338 1.030 0.000) 1.689 18.040 ( -0.814 0.115 0.000) 0.822 18.542 ( 0.190 -0.111 0.000) 0.220 18.671 ( -0.354 -0.798 0.000) 0.873 18.794 ( 0.552 0.075 0.000) 0.557 19.954 ( -5.417 -11.080 0.000) 12.333 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 8.773 -0.877 0.000) 8.817 0.757 ( 8.888 -6.456 0.000) 10.985 1.605 ( -4.184 2.277 0.000) 4.763 1.699 ( -0.761 0.143 0.000) 0.774 1.712 ( 19.488 -15.784 0.000) 25.078 1.997 ( -2.825 3.620 0.000) 4.592 2.114 ( 4.450 1.574 0.000) 4.720 3.123 ( 4.805 8.230 0.000) 9.530 3.440 ( -4.244 4.577 0.000) 6.242 3.515 ( 0.746 -0.481 0.000) 0.888 3.743 ( 6.067 -7.879 0.000) 9.944 5.595 ( 1.408 0.058 0.000) 1.409 6.533 ( -0.519 0.050 0.000) 0.521 7.445 ( -0.409 -1.210 0.000) 1.277 9.876 ( 2.430 6.547 0.000) 6.983 10.567 ( 0.016 0.175 0.000) 0.176 13.898 ( 0.641 -0.189 0.000) 0.669 15.052 ( 0.033 0.121 0.000) 0.126 17.707 ( -1.346 0.935 0.000) 1.639 18.024 ( -0.732 0.107 0.000) 0.740 18.546 ( 0.187 -0.110 0.000) 0.217 18.671 ( -0.381 -0.770 0.000) 0.859 18.804 ( 0.561 0.069 0.000) 0.565 19.941 ( -3.508 -6.413 0.000) 7.310 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 5.012 -0.275 0.000) 5.019 0.956 ( 6.728 -4.296 0.000) 7.983 1.499 ( -4.526 1.765 0.000) 4.858 1.688 ( -0.193 0.480 0.000) 0.517 1.932 ( -1.340 1.937 0.000) 2.355 2.068 ( 3.862 -0.013 0.000) 3.862 2.246 ( 11.312 -13.822 0.000) 17.861 3.066 ( -3.134 12.749 0.000) 13.129 3.313 ( -3.262 1.080 0.000) 3.436 3.529 ( 0.383 -0.246 0.000) 0.456 3.953 ( 7.273 -5.093 0.000) 8.879 5.618 ( 0.916 0.044 0.000) 0.917 6.525 ( -0.320 0.032 0.000) 0.321 7.447 ( -0.270 -0.756 0.000) 0.803 9.870 ( 1.119 3.170 0.000) 3.362 10.566 ( 0.005 0.110 0.000) 0.111 13.910 ( 0.390 -0.113 0.000) 0.406 15.052 ( 0.010 0.082 0.000) 0.083 17.679 ( -0.851 0.545 0.000) 1.010 18.012 ( -0.402 0.044 0.000) 0.404 18.550 ( 0.115 -0.067 0.000) 0.133 18.670 ( -0.252 -0.458 0.000) 0.523 18.813 ( 0.351 0.040 0.000) 0.354 19.929 ( -1.828 -3.053 0.000) 3.559 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 0.000 0.000) 0.000 1.050 ( 0.000 -0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 -0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 -0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 -0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 -0.000 0.000) 0.000 5.627 ( 0.000 -0.000 0.000) 0.000 6.521 ( 0.000 -0.000 0.000) 0.000 7.448 ( 0.000 -0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 -0.000 0.000) 0.000 13.914 ( 0.000 -0.000 0.000) 0.000 15.052 ( 0.000 -0.000 0.000) 0.000 17.668 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 -0.000 0.000) 0.000 18.552 ( 0.000 -0.000 0.000) 0.000 18.669 ( 0.000 -0.000 0.000) 0.000 18.816 ( 0.000 -0.000 0.000) 0.000 19.924 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 11.685 -0.000 0.000) 11.685 0.497 ( 12.393 -0.000 0.000) 12.393 1.006 ( 25.237 -0.000 0.000) 25.237 1.696 ( 0.591 -0.000 0.000) 0.591 1.727 ( -4.478 0.000 0.000) 4.478 1.986 ( 12.074 -0.000 0.000) 12.074 2.146 ( -3.086 0.000 0.000) 3.086 3.156 ( 4.277 -0.000 0.000) 4.277 3.439 ( 3.566 -0.000 0.000) 3.566 3.489 ( 1.025 -0.000 0.000) 1.025 3.641 ( -4.256 0.000 0.000) 4.256 5.568 ( 1.371 -0.000 0.000) 1.371 6.544 ( -0.523 0.000 0.000) 0.523 7.432 ( -0.255 0.000 0.000) 0.255 10.004 ( -0.687 0.000 0.000) 0.687 10.570 ( 0.011 -0.000 0.000) 0.011 13.882 ( 0.678 -0.000 0.000) 0.678 15.053 ( 0.050 -0.000 0.000) 0.050 17.751 ( -1.477 0.000 0.000) 1.477 18.043 ( -0.736 0.000 0.000) 0.736 18.541 ( 0.202 -0.000 0.000) 0.202 18.664 ( -0.263 0.000 0.000) 0.263 18.794 ( 0.542 -0.000 0.000) 0.542 19.835 ( -0.350 0.000 0.000) 0.350 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 11.088 -2.475 0.000) 11.361 0.716 ( 11.048 1.654 0.000) 11.172 1.500 ( 22.277 -7.596 0.000) 23.537 1.627 ( -5.443 0.550 0.000) 5.471 1.703 ( 0.146 0.239 0.000) 0.280 2.066 ( -3.042 3.340 0.000) 4.518 2.125 ( 2.103 -0.221 0.000) 2.114 3.227 ( 3.772 3.579 0.000) 5.200 3.508 ( -3.779 3.976 0.000) 5.485 3.509 ( 0.939 -0.184 0.000) 0.957 3.613 ( 7.292 -6.833 0.000) 9.993 5.596 ( 1.429 0.035 0.000) 1.429 6.534 ( -0.530 0.019 0.000) 0.530 7.430 ( -0.146 -0.502 0.000) 0.523 9.969 ( -0.771 3.510 0.000) 3.593 10.570 ( -0.028 0.067 0.000) 0.073 13.896 ( 0.697 -0.072 0.000) 0.701 15.054 ( 0.010 0.046 0.000) 0.047 17.718 ( -1.645 0.377 0.000) 1.688 18.028 ( -0.687 0.236 0.000) 0.727 18.545 ( 0.218 -0.042 0.000) 0.222 18.662 ( -0.151 -0.293 0.000) 0.330 18.805 ( 0.539 0.026 0.000) 0.540 19.848 ( -0.305 -3.536 0.000) 3.550 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 8.313 4.190 0.000) 9.309 0.901 ( 9.540 -2.262 0.000) 9.805 1.516 ( -5.599 0.372 0.000) 5.611 1.699 ( -0.207 0.627 0.000) 0.660 1.916 ( 5.586 -6.367 0.000) 8.470 2.038 ( 10.570 -0.083 0.000) 10.570 2.111 ( -3.154 -2.418 0.000) 3.974 3.235 ( -0.440 5.107 0.000) 5.126 3.322 ( -9.462 2.124 0.000) 9.697 3.525 ( 0.583 -0.153 0.000) 0.603 3.876 ( 11.635 -3.734 0.000) 12.220 5.619 ( 0.936 0.083 0.000) 0.940 6.525 ( -0.340 0.021 0.000) 0.341 7.435 ( 0.142 -0.606 0.000) 0.623 9.923 ( -1.276 2.787 0.000) 3.065 10.568 ( -0.072 0.069 0.000) 0.099 13.908 ( 0.471 -0.071 0.000) 0.477 15.053 ( -0.044 0.051 0.000) 0.067 17.687 ( -1.263 0.341 0.000) 1.308 18.016 ( -0.349 0.275 0.000) 0.444 18.549 ( 0.162 -0.041 0.000) 0.168 18.663 ( 0.090 -0.275 0.000) 0.290 18.813 ( 0.322 0.025 0.000) 0.323 19.877 ( 0.560 -2.722 0.000) 2.779 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 3.762 6.901 0.000) 7.860 1.058 ( 4.984 0.761 0.000) 5.041 1.427 ( -2.997 -1.121 0.000) 3.199 1.689 ( -0.249 0.465 0.000) 0.527 1.912 ( -1.214 -0.220 0.000) 1.234 2.054 ( -3.381 -2.847 0.000) 4.420 2.397 ( 13.484 -8.406 0.000) 15.889 3.008 ( -11.802 8.695 0.000) 14.660 3.260 ( -1.778 -3.026 0.000) 3.510 3.533 ( 0.196 -0.003 0.000) 0.196 4.054 ( 4.590 0.382 0.000) 4.606 5.628 ( 0.016 0.103 0.000) 0.104 6.521 ( -0.026 0.003 0.000) 0.027 7.445 ( 0.526 -0.254 0.000) 0.584 9.875 ( -2.166 0.815 0.000) 2.314 10.566 ( -0.097 0.001 0.000) 0.097 13.914 ( 0.097 -0.001 0.000) 0.097 15.052 ( -0.075 -0.000 0.000) 0.075 17.668 ( -0.475 -0.014 0.000) 0.475 18.011 ( 0.107 0.277 0.000) 0.297 18.552 ( 0.059 0.000 0.000) 0.059 18.669 ( 0.402 0.017 0.000) 0.403 18.816 ( -0.033 0.001 0.000) 0.033 19.917 ( 2.108 -0.727 0.000) 2.230 ======================= Grid point 16 (11/155) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -1.375 8.199 0.000) 8.313 1.042 ( -3.208 5.775 0.000) 6.606 1.452 ( 2.821 -3.866 0.000) 4.786 1.686 ( 0.273 0.142 0.000) 0.308 1.903 ( -0.466 -1.296 0.000) 1.377 2.034 ( -2.085 -4.070 0.000) 4.573 2.481 ( -8.597 12.253 0.000) 14.968 2.862 ( 1.337 -9.831 0.000) 9.921 3.265 ( -0.335 -4.461 0.000) 4.473 3.533 ( -0.135 0.244 0.000) 0.278 4.035 ( -4.126 4.443 0.000) 6.064 5.618 ( -0.917 0.067 0.000) 0.919 6.524 ( 0.294 -0.028 0.000) 0.295 7.458 ( 0.823 0.469 0.000) 0.948 9.827 ( -3.289 -1.821 0.000) 3.760 10.564 ( -0.099 -0.110 0.000) 0.148 13.912 ( -0.289 0.112 0.000) 0.310 15.050 ( -0.077 -0.083 0.000) 0.113 17.670 ( 0.379 -0.541 0.000) 0.661 18.015 ( 0.555 0.319 0.000) 0.640 18.551 ( -0.055 0.068 0.000) 0.087 18.678 ( 0.667 0.473 0.000) 0.818 18.812 ( -0.388 -0.039 0.000) 0.390 19.970 ( 3.912 1.786 0.000) 4.300 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -5.366 8.241 0.000) 9.834 0.885 ( -6.050 8.580 0.000) 10.498 1.549 ( 2.788 -4.404 0.000) 5.212 1.700 ( 1.562 0.254 0.000) 1.582 1.886 ( -5.476 0.778 0.000) 5.531 2.014 ( -1.206 1.196 0.000) 1.698 2.116 ( -13.695 9.553 0.000) 16.698 2.974 ( -1.129 -8.973 0.000) 9.043 3.344 ( 2.873 -7.044 0.000) 7.607 3.524 ( -0.431 0.595 0.000) 0.735 3.860 ( -7.829 5.821 0.000) 9.755 5.594 ( -1.407 -0.000 0.000) 1.407 6.532 ( 0.499 -0.060 0.000) 0.502 7.467 ( 0.883 1.281 0.000) 1.556 9.778 ( -4.808 -4.810 0.000) 6.801 10.564 ( -0.088 -0.215 0.000) 0.233 13.902 ( -0.551 0.234 0.000) 0.599 15.050 ( -0.072 -0.150 0.000) 0.167 17.690 ( 0.935 -1.079 0.000) 1.428 18.027 ( 0.955 0.383 0.000) 1.029 18.549 ( -0.137 0.137 0.000) 0.194 18.686 ( 0.747 0.956 0.000) 1.213 18.803 ( -0.597 -0.086 0.000) 0.604 20.036 ( 5.787 4.601 0.000) 7.393 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -7.656 8.182 0.000) 11.205 0.682 ( -6.335 11.068 0.000) 12.753 1.524 ( -15.781 22.589 0.000) 27.555 1.616 ( 0.463 -4.139 0.000) 4.165 1.743 ( 3.001 0.325 0.000) 3.019 1.891 ( -14.117 -6.845 0.000) 15.689 2.041 ( 3.625 -0.574 0.000) 3.670 2.984 ( -3.079 -5.353 0.000) 6.176 3.376 ( -6.762 -2.544 0.000) 7.225 3.507 ( -0.625 0.957 0.000) 1.143 3.763 ( 2.878 -0.866 0.000) 3.005 5.567 ( -1.344 -0.034 0.000) 1.344 6.543 ( 0.509 -0.077 0.000) 0.515 7.469 ( 0.679 1.838 0.000) 1.959 9.717 ( -7.419 -7.899 0.000) 10.837 10.565 ( -0.067 -0.275 0.000) 0.283 13.888 ( -0.593 0.319 0.000) 0.673 15.050 ( -0.066 -0.172 0.000) 0.184 17.720 ( 1.034 -1.488 0.000) 1.812 18.044 ( 1.194 0.501 0.000) 1.295 18.544 ( -0.158 0.181 0.000) 0.240 18.689 ( 0.598 1.292 0.000) 1.424 18.792 ( -0.579 -0.122 0.000) 0.592 20.118 ( 8.253 7.562 0.000) 11.194 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -7.540 8.951 0.000) 11.703 0.466 ( -5.064 13.883 0.000) 14.778 1.021 ( -13.103 29.367 0.000) 32.157 1.645 ( -0.286 -3.066 0.000) 3.080 1.658 ( -13.837 -5.807 0.000) 15.006 1.795 ( 2.198 -0.082 0.000) 2.200 2.131 ( 4.639 -1.074 0.000) 4.762 2.948 ( -6.480 -4.992 0.000) 8.180 3.202 ( -9.336 -0.163 0.000) 9.337 3.487 ( -0.515 1.109 0.000) 1.223 3.917 ( 8.761 -3.913 0.000) 9.595 5.546 ( -0.821 -0.028 0.000) 0.821 6.552 ( 0.318 -0.074 0.000) 0.327 7.463 ( 0.328 1.912 0.000) 1.940 9.606 ( -12.511 -9.507 0.000) 15.713 10.566 ( -0.036 -0.269 0.000) 0.272 13.876 ( -0.386 0.329 0.000) 0.507 15.050 ( -0.045 -0.152 0.000) 0.158 17.751 ( 0.713 -1.638 0.000) 1.786 18.061 ( 1.027 0.717 0.000) 1.253 18.540 ( -0.106 0.183 0.000) 0.211 18.687 ( 0.307 1.321 0.000) 1.356 18.784 ( -0.349 -0.130 0.000) 0.372 20.243 ( 12.804 9.134 0.000) 15.728 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.000 10.872 0.000) 10.872 0.279 ( 0.000 16.473 0.000) 16.473 0.593 ( 0.000 35.269 0.000) 35.269 1.548 ( -0.000 -4.125 0.000) 4.125 1.663 ( -0.000 -2.027 0.000) 2.027 1.819 ( -0.000 -0.165 0.000) 0.165 2.207 ( -0.000 -0.378 0.000) 0.378 2.804 ( 0.000 1.590 0.000) 1.590 3.114 ( 0.000 0.286 0.000) 0.286 3.473 ( 0.000 0.895 0.000) 0.895 4.096 ( -0.000 -7.078 0.000) 7.078 5.538 ( -0.000 -0.015 0.000) 0.015 6.555 ( -0.000 -0.055 0.000) 0.055 7.451 ( 0.000 1.483 0.000) 1.483 9.433 ( 0.000 0.152 0.000) 0.152 10.568 ( -0.000 -0.204 0.000) 0.204 13.869 ( 0.000 0.254 0.000) 0.254 15.051 ( -0.000 -0.110 0.000) 0.110 17.771 ( -0.000 -1.387 0.000) 1.387 18.066 ( 0.000 0.705 0.000) 0.705 18.538 ( 0.000 0.139 0.000) 0.139 18.680 ( 0.000 1.013 0.000) 1.013 18.782 ( -0.000 -0.101 0.000) 0.101 20.419 ( -0.000 -0.287 0.000) 0.287 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 10.647 -0.000 0.000) 10.647 0.926 ( 9.714 -0.000 0.000) 9.714 1.518 ( -5.949 0.000 0.000) 5.949 1.705 ( -0.255 0.000 0.000) 0.255 1.836 ( 12.503 -0.000 0.000) 12.503 2.058 ( 4.082 -0.000 0.000) 4.082 2.089 ( -4.420 0.000 0.000) 4.420 3.251 ( -1.545 0.000 0.000) 1.545 3.367 ( -10.263 0.000 0.000) 10.263 3.524 ( 0.659 -0.000 0.000) 0.659 3.841 ( 14.182 -0.000 0.000) 14.182 5.620 ( 0.949 -0.000 0.000) 0.949 6.525 ( -0.348 0.000 0.000) 0.348 7.429 ( 0.291 -0.000 0.000) 0.291 9.949 ( -2.422 0.000 0.000) 2.422 10.569 ( -0.101 0.000 0.000) 0.101 13.907 ( 0.503 -0.000 0.000) 0.503 15.053 ( -0.065 0.000 0.000) 0.065 17.690 ( -1.429 0.000 0.000) 1.429 18.019 ( -0.372 0.000 0.000) 0.372 18.549 ( 0.181 -0.000 0.000) 0.181 18.661 ( 0.223 -0.000 0.000) 0.223 18.814 ( 0.311 -0.000 0.000) 0.311 19.852 ( 1.738 -0.000 0.000) 1.738 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 6.771 5.068 0.000) 8.458 1.070 ( 8.535 0.507 0.000) 8.550 1.409 ( -5.299 -0.705 0.000) 5.346 1.696 ( -0.432 0.262 0.000) 0.506 1.896 ( -1.724 -1.609 0.000) 2.358 1.996 ( -5.601 -2.468 0.000) 6.120 2.304 ( 15.386 -2.362 0.000) 15.566 3.125 ( -13.002 4.332 0.000) 13.705 3.209 ( -3.340 -2.323 0.000) 4.068 3.533 ( 0.318 -0.002 0.000) 0.318 4.059 ( 7.295 0.165 0.000) 7.296 5.629 ( 0.027 0.065 0.000) 0.070 6.521 ( -0.043 0.002 0.000) 0.043 7.441 ( 0.848 -0.156 0.000) 0.862 9.888 ( -3.570 0.506 0.000) 3.606 10.566 ( -0.157 0.000 0.000) 0.157 13.914 ( 0.157 -0.001 0.000) 0.157 15.052 ( -0.121 -0.000 0.000) 0.121 17.668 ( -0.769 -0.008 0.000) 0.769 18.015 ( 0.140 0.175 0.000) 0.224 18.552 ( 0.095 0.000 0.000) 0.095 18.670 ( 0.651 0.011 0.000) 0.651 18.816 ( -0.054 0.000 0.000) 0.054 19.905 ( 3.500 -0.456 0.000) 3.530 ======================= Grid point 25 (18/155) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.500 10.882 0.000) 10.985 1.144 ( 0.627 6.255 0.000) 6.286 1.374 ( 0.366 -5.282 0.000) 5.295 1.690 ( 0.253 0.290 0.000) 0.385 1.886 ( -0.657 -1.445 0.000) 1.587 1.934 ( -4.600 -6.659 0.000) 8.093 2.577 ( 8.334 -0.929 0.000) 8.385 2.823 ( -11.536 5.127 0.000) 12.624 3.177 ( -3.104 -5.605 0.000) 6.407 3.536 ( 0.067 0.149 0.000) 0.164 4.093 ( -2.658 2.397 0.000) 3.580 5.619 ( -0.937 0.099 0.000) 0.942 6.524 ( 0.272 -0.016 0.000) 0.272 7.463 ( 1.304 0.145 0.000) 1.312 9.808 ( -4.688 -0.559 0.000) 4.722 10.563 ( -0.176 -0.067 0.000) 0.188 13.913 ( -0.207 0.069 0.000) 0.218 15.049 ( -0.132 -0.051 0.000) 0.142 17.662 ( 0.022 -0.334 0.000) 0.335 18.021 ( 0.673 0.344 0.000) 0.756 18.552 ( -0.006 0.042 0.000) 0.043 18.685 ( 0.996 0.301 0.000) 1.041 18.812 ( -0.418 -0.024 0.000) 0.419 19.989 ( 5.226 0.599 0.000) 5.260 ======================= Grid point 26 (19/155) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.453 12.956 0.000) 13.408 1.035 ( -3.759 9.088 0.000) 9.835 1.460 ( 2.027 -6.146 0.000) 6.471 1.706 ( 1.693 0.311 0.000) 1.721 1.865 ( -4.258 -3.063 0.000) 5.246 1.929 ( -2.533 -6.644 0.000) 7.110 2.384 ( -11.534 16.926 0.000) 20.482 2.844 ( 3.469 -6.164 0.000) 7.073 3.206 ( 0.204 -9.189 0.000) 9.192 3.533 ( -0.115 0.482 0.000) 0.495 3.936 ( -10.220 3.285 0.000) 10.735 5.595 ( -1.441 0.059 0.000) 1.442 6.531 ( 0.478 -0.047 0.000) 0.480 7.485 ( 1.423 0.859 0.000) 1.663 9.719 ( -5.769 -2.266 0.000) 6.198 10.561 ( -0.159 -0.174 0.000) 0.236 13.905 ( -0.461 0.189 0.000) 0.498 15.048 ( -0.111 -0.122 0.000) 0.165 17.673 ( 0.586 -0.830 0.000) 1.016 18.035 ( 1.128 0.528 0.000) 1.246 18.551 ( -0.086 0.112 0.000) 0.141 18.701 ( 1.104 0.777 0.000) 1.350 18.802 ( -0.635 -0.070 0.000) 0.639 20.092 ( 6.641 2.172 0.000) 6.987 ======================= Grid point 27 (20/155) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -6.345 12.340 0.000) 13.876 0.873 ( -3.996 11.364 0.000) 12.046 1.534 ( 0.478 -5.696 0.000) 5.716 1.745 ( -13.671 -8.747 0.000) 16.230 1.747 ( 2.608 0.133 0.000) 2.612 1.862 ( -6.969 12.205 0.000) 14.054 2.102 ( -0.176 10.902 0.000) 10.903 2.910 ( -0.261 -3.493 0.000) 3.503 3.297 ( -1.276 -7.456 0.000) 7.565 3.524 ( -0.269 0.958 0.000) 0.995 3.726 ( -7.854 -2.630 0.000) 8.283 5.567 ( -1.356 -0.001 0.000) 1.356 6.542 ( 0.494 -0.077 0.000) 0.500 7.500 ( 1.129 1.703 0.000) 2.043 9.624 ( -6.832 -3.548 0.000) 7.698 10.560 ( -0.117 -0.274 0.000) 0.298 13.894 ( -0.516 0.319 0.000) 0.606 15.047 ( -0.081 -0.174 0.000) 0.191 17.696 ( 0.741 -1.341 0.000) 1.533 18.054 ( 1.397 0.669 0.000) 1.549 18.547 ( -0.117 0.184 0.000) 0.218 18.712 ( 0.898 1.289 0.000) 1.571 18.790 ( -0.614 -0.125 0.000) 0.627 20.205 ( 7.614 3.299 0.000) 8.297 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -6.218 11.306 0.000) 12.904 0.700 ( -2.839 13.743 0.000) 14.033 1.511 ( -9.609 16.021 0.000) 18.681 1.543 ( -11.106 4.746 0.000) 12.078 1.579 ( -0.152 -4.822 0.000) 4.824 1.793 ( 1.871 -0.241 0.000) 1.886 2.133 ( 5.010 1.194 0.000) 5.150 2.903 ( -2.853 -1.224 0.000) 3.104 3.207 ( -7.917 0.295 0.000) 7.922 3.508 ( -0.285 1.369 0.000) 1.398 3.766 ( 2.515 -12.973 0.000) 13.214 5.546 ( -0.816 -0.026 0.000) 0.816 6.550 ( 0.312 -0.094 0.000) 0.326 7.499 ( 0.564 2.289 0.000) 2.357 9.516 ( -7.022 -2.706 0.000) 7.525 10.561 ( -0.059 -0.332 0.000) 0.337 13.882 ( -0.344 0.407 0.000) 0.533 15.047 ( -0.046 -0.189 0.000) 0.195 17.721 ( 0.520 -1.750 0.000) 1.826 18.074 ( 1.155 0.757 0.000) 1.381 18.544 ( -0.085 0.229 0.000) 0.244 18.712 ( 0.463 1.633 0.000) 1.698 18.782 ( -0.368 -0.164 0.000) 0.403 20.327 ( 7.411 2.414 0.000) 7.794 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 0.000 11.174 0.000) 11.174 0.547 ( 0.000 15.434 0.000) 15.434 1.175 ( 0.000 34.195 0.000) 34.195 1.450 ( -0.000 -7.377 0.000) 7.377 1.613 ( -0.000 -3.891 0.000) 3.891 1.815 ( -0.000 -0.363 0.000) 0.363 2.199 ( -0.000 -0.437 0.000) 0.437 2.837 ( 0.000 2.284 0.000) 2.284 3.121 ( 0.000 0.515 0.000) 0.515 3.493 ( 0.000 1.444 0.000) 1.444 3.922 ( -0.000 -13.618 0.000) 13.618 5.538 ( -0.000 -0.024 0.000) 0.024 6.554 ( -0.000 -0.092 0.000) 0.092 7.484 ( 0.000 2.355 0.000) 2.355 9.437 ( 0.000 0.251 0.000) 0.251 10.563 ( -0.000 -0.329 0.000) 0.329 13.875 ( 0.000 0.411 0.000) 0.411 15.048 ( -0.000 -0.179 0.000) 0.179 17.742 ( -0.000 -1.911 0.000) 1.911 18.080 ( 0.000 0.813 0.000) 0.813 18.541 ( 0.000 0.228 0.000) 0.228 18.703 ( 0.000 1.646 0.000) 1.646 18.779 ( -0.000 -0.166 0.000) 0.166 20.412 ( -0.000 -0.477 0.000) 0.477 ======================= Grid point 34 (23/155) ======================= q-point: (-0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 3.154 -0.000 0.000) 3.154 1.223 ( 6.468 -0.000 0.000) 6.468 1.304 ( -4.953 0.000 0.000) 4.953 1.693 ( 0.214 -0.000 0.000) 0.214 1.835 ( -3.776 0.000 0.000) 3.776 1.895 ( -3.133 0.000 0.000) 3.133 2.557 ( 11.608 -0.000 0.000) 11.608 2.894 ( -12.543 0.000 0.000) 12.543 3.115 ( -4.766 0.000 0.000) 4.766 3.538 ( 0.145 -0.000 0.000) 0.145 4.113 ( -2.254 0.000 0.000) 2.254 5.620 ( -0.950 0.000 0.000) 0.950 6.524 ( 0.263 -0.000 0.000) 0.263 7.464 ( 1.496 -0.000 0.000) 1.496 9.804 ( -5.175 0.000 0.000) 5.175 10.562 ( -0.205 0.000 0.000) 0.205 13.914 ( -0.175 0.000 0.000) 0.175 15.049 ( -0.153 0.000 0.000) 0.153 17.659 ( -0.110 0.000 0.000) 0.110 18.024 ( 0.709 -0.000 0.000) 0.709 18.553 ( 0.012 -0.000 0.000) 0.012 18.687 ( 1.120 -0.000 0.000) 1.120 18.811 ( -0.430 0.000 0.000) 0.430 19.993 ( 5.681 -0.000 0.000) 5.681 ======================= Grid point 36 (24/155) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -2.895 8.797 0.000) 9.261 1.179 ( -3.009 7.431 0.000) 8.017 1.350 ( 2.187 -6.379 0.000) 6.743 1.709 ( 1.614 0.128 0.000) 1.619 1.747 ( -9.503 -7.078 0.000) 11.849 1.885 ( 1.953 -0.433 0.000) 2.001 2.622 ( -6.467 9.745 0.000) 11.695 2.776 ( 5.269 -1.880 0.000) 5.595 3.057 ( -3.460 -7.124 0.000) 7.920 3.539 ( 0.081 0.184 0.000) 0.201 3.971 ( -11.603 1.041 0.000) 11.650 5.596 ( -1.480 0.036 0.000) 1.480 6.531 ( 0.464 -0.017 0.000) 0.464 7.495 ( 1.793 0.287 0.000) 1.816 9.697 ( -6.092 -0.590 0.000) 6.120 10.559 ( -0.203 -0.066 0.000) 0.214 13.908 ( -0.404 0.072 0.000) 0.411 15.046 ( -0.135 -0.047 0.000) 0.143 17.663 ( 0.394 -0.310 0.000) 0.501 18.042 ( 1.185 0.237 0.000) 1.209 18.552 ( -0.055 0.043 0.000) 0.069 18.710 ( 1.320 0.298 0.000) 1.354 18.801 ( -0.659 -0.027 0.000) 0.659 20.114 ( 6.896 0.578 0.000) 6.920 ======================= Grid point 37 (25/155) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -6.836 12.433 0.000) 14.188 1.051 ( -2.759 9.592 0.000) 9.981 1.429 ( 0.562 -6.496 0.000) 6.520 1.575 ( -15.743 -10.553 0.000) 18.953 1.748 ( 2.300 0.037 0.000) 2.300 1.950 ( 4.260 1.513 0.000) 4.521 2.394 ( -3.657 19.368 0.000) 19.710 2.868 ( 2.049 -1.489 0.000) 2.533 3.122 ( 0.742 -12.834 0.000) 12.856 3.537 ( 0.018 0.592 0.000) 0.592 3.694 ( -15.518 -1.062 0.000) 15.554 5.567 ( -1.387 0.016 0.000) 1.387 6.541 ( 0.481 -0.048 0.000) 0.483 7.523 ( 1.546 0.987 0.000) 1.834 9.587 ( -6.087 -1.202 0.000) 6.204 10.556 ( -0.157 -0.169 0.000) 0.231 13.898 ( -0.453 0.197 0.000) 0.494 15.045 ( -0.093 -0.108 0.000) 0.142 17.678 ( 0.555 -0.776 0.000) 0.954 18.064 ( 1.388 0.433 0.000) 1.454 18.550 ( -0.083 0.115 0.000) 0.142 18.730 ( 1.138 0.796 0.000) 1.389 18.788 ( -0.644 -0.078 0.000) 0.649 20.240 ( 6.827 1.097 0.000) 6.915 ======================= Grid point 38 (26/155) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -6.726 12.114 0.000) 13.856 0.917 ( -1.774 11.926 0.000) 12.057 1.367 ( -13.518 -10.620 0.000) 17.191 1.486 ( -0.055 -6.192 0.000) 6.192 1.788 ( 1.596 -0.259 0.000) 1.617 1.954 ( 1.070 17.338 0.000) 17.371 2.207 ( 0.866 11.755 0.000) 11.787 2.893 ( -0.044 -0.182 0.000) 0.187 3.192 ( -3.947 -3.365 0.000) 5.186 3.520 ( -5.615 -14.768 0.000) 15.800 3.530 ( -0.059 1.105 0.000) 1.107 5.546 ( -0.823 -0.012 0.000) 0.823 6.549 ( 0.304 -0.078 0.000) 0.314 7.534 ( 0.836 1.795 0.000) 1.980 9.490 ( -4.600 -0.759 0.000) 4.662 10.556 ( -0.082 -0.268 0.000) 0.280 13.888 ( -0.302 0.330 0.000) 0.447 15.044 ( -0.047 -0.155 0.000) 0.162 17.695 ( 0.388 -1.259 0.000) 1.317 18.085 ( 1.064 0.491 0.000) 1.172 18.547 ( -0.063 0.188 0.000) 0.199 18.738 ( 0.623 1.319 0.000) 1.459 18.779 ( -0.389 -0.135 0.000) 0.412 20.349 ( 5.013 0.561 0.000) 5.044 ======================= Grid point 39 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 11.488 0.000) 11.488 0.791 ( 0.000 13.646 0.000) 13.646 1.307 ( -0.000 -9.540 0.000) 9.540 1.534 ( -0.000 -5.540 0.000) 5.540 1.726 ( 0.000 31.073 0.000) 31.073 1.808 ( -0.000 -0.438 0.000) 0.438 2.200 ( 0.000 1.051 0.000) 1.051 2.874 ( 0.000 1.978 0.000) 1.978 3.130 ( 0.000 0.589 0.000) 0.589 3.518 ( 0.000 1.439 0.000) 1.439 3.647 ( -0.000 -19.168 0.000) 19.168 5.538 ( -0.000 -0.022 0.000) 0.022 6.553 ( -0.000 -0.095 0.000) 0.095 7.525 ( 0.000 2.304 0.000) 2.304 9.441 ( 0.000 0.258 0.000) 0.258 10.557 ( -0.000 -0.329 0.000) 0.329 13.882 ( 0.000 0.412 0.000) 0.412 15.045 ( -0.000 -0.181 0.000) 0.181 17.712 ( -0.000 -1.638 0.000) 1.638 18.092 ( 0.000 0.554 0.000) 0.554 18.545 ( 0.000 0.233 0.000) 0.233 18.731 ( 0.000 1.647 0.000) 1.647 18.776 ( -0.000 -0.170 0.000) 0.170 20.404 ( -0.000 -0.492 0.000) 0.492 ======================= Grid point 46 (28/155) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -6.672 0.000 0.000) 6.672 1.153 ( -2.762 0.000 0.000) 2.762 1.354 ( 0.992 -0.000 0.000) 0.992 1.457 ( -16.556 0.000 0.000) 16.556 1.748 ( 2.181 -0.000 0.000) 2.181 1.960 ( 5.504 -0.000 0.000) 5.504 2.612 ( 0.073 -0.000 0.000) 0.073 2.863 ( 3.575 -0.000 0.000) 3.575 2.953 ( -2.609 0.000 0.000) 2.609 3.542 ( 0.127 -0.000 0.000) 0.127 3.687 ( -17.535 0.000 0.000) 17.535 5.568 ( -1.403 0.000 0.000) 1.403 6.540 ( 0.476 -0.000 0.000) 0.476 7.531 ( 1.718 -0.000 0.000) 1.718 9.577 ( -5.845 0.000 0.000) 5.845 10.555 ( -0.173 0.000 0.000) 0.173 13.900 ( -0.429 0.000 0.000) 0.429 15.044 ( -0.097 0.000 0.000) 0.097 17.671 ( 0.493 -0.000 0.000) 0.493 18.068 ( 1.355 -0.000 0.000) 1.355 18.551 ( -0.070 0.000 0.000) 0.070 18.737 ( 1.229 -0.000 0.000) 1.229 18.788 ( -0.655 0.000 0.000) 0.655 20.248 ( 6.562 -0.000 0.000) 6.562 ======================= Grid point 48 (29/155) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -6.916 10.140 0.000) 12.274 1.083 ( -1.412 6.777 0.000) 6.922 1.188 ( -13.679 -9.642 0.000) 16.736 1.385 ( 0.091 -4.805 0.000) 4.805 1.785 ( 1.438 -0.110 0.000) 1.442 2.065 ( 5.224 1.337 0.000) 5.392 2.538 ( 0.562 20.333 0.000) 20.340 2.894 ( 1.190 0.475 0.000) 1.281 3.029 ( 2.133 -15.074 0.000) 15.224 3.361 ( -15.824 -3.407 0.000) 16.186 3.543 ( 0.080 0.422 0.000) 0.429 5.545 ( -0.834 -0.003 0.000) 0.834 6.548 ( 0.299 -0.030 0.000) 0.300 7.556 ( 1.021 0.673 0.000) 1.223 9.483 ( -3.780 -0.148 0.000) 3.783 10.552 ( -0.096 -0.102 0.000) 0.140 13.892 ( -0.276 0.126 0.000) 0.304 15.043 ( -0.048 -0.060 0.000) 0.077 17.681 ( 0.329 -0.452 0.000) 0.559 18.090 ( 0.960 0.165 0.000) 0.974 18.550 ( -0.050 0.073 0.000) 0.088 18.754 ( 0.722 0.503 0.000) 0.880 18.777 ( -0.402 -0.052 0.000) 0.406 20.353 ( 4.177 0.077 0.000) 4.178 ======================= Grid point 49 (30/155) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 11.530 0.000) 11.530 0.995 ( 0.000 10.384 0.000) 10.384 1.136 ( -0.000 -10.716 0.000) 10.716 1.433 ( -0.000 -6.192 0.000) 6.192 1.801 ( -0.000 -0.296 0.000) 0.296 2.094 ( 0.000 7.102 0.000) 7.102 2.347 ( 0.000 21.997 0.000) 21.997 2.900 ( 0.000 1.087 0.000) 1.087 3.139 ( 0.000 0.405 0.000) 0.405 3.292 ( -0.000 -22.787 0.000) 22.787 3.538 ( 0.000 0.887 0.000) 0.887 5.537 ( -0.000 -0.013 0.000) 0.013 6.551 ( -0.000 -0.060 0.000) 0.060 7.557 ( 0.000 1.401 0.000) 1.401 9.445 ( 0.000 0.163 0.000) 0.163 10.553 ( -0.000 -0.203 0.000) 0.203 13.888 ( 0.000 0.255 0.000) 0.255 15.043 ( -0.000 -0.113 0.000) 0.113 17.690 ( -0.000 -0.913 0.000) 0.913 18.098 ( 0.000 0.253 0.000) 0.253 18.548 ( 0.000 0.146 0.000) 0.146 18.754 ( 0.000 1.017 0.000) 1.017 18.774 ( -0.000 -0.107 0.000) 0.107 20.397 ( -0.000 -0.312 0.000) 0.312 ======================= Grid point 59 (31/155) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 0.000 0.000) 0.000 0.979 ( -0.000 -0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.988 ( -0.000 -0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 13.890 ( 0.000 0.000 0.000) 0.000 15.042 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 0.000) 0.000 18.763 ( 0.000 0.000 0.000) 0.000 18.773 ( 0.000 0.000 0.000) 0.000 20.394 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 107 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 0.000 0.000 10.758) 10.758 0.362 ( 0.000 0.000 19.556) 19.556 0.946 ( 0.000 0.000 28.694) 28.694 1.636 ( 0.000 0.000 3.660) 3.660 1.826 ( 0.000 0.000 0.547) 0.547 2.210 ( 0.000 0.000 0.222) 0.222 2.483 ( 0.000 0.000 50.399) 50.399 2.790 ( 0.000 0.000 0.072) 0.072 3.214 ( 0.000 0.000 10.508) 10.508 3.330 ( 0.000 0.000 -11.078) 11.078 3.348 ( 0.000 0.000 -3.029) 3.029 5.789 ( 0.000 0.000 22.473) 22.473 6.494 ( 0.000 0.000 -6.204) 6.204 7.145 ( 0.000 0.000 -27.482) 27.482 9.360 ( 0.000 0.000 -7.048) 7.048 10.401 ( 0.000 0.000 -16.406) 16.406 14.107 ( 0.000 0.000 22.132) 22.132 15.146 ( 0.000 0.000 8.991) 8.991 17.719 ( 0.000 0.000 -4.864) 4.864 18.031 ( 0.000 0.000 -2.784) 2.784 18.595 ( 0.000 0.000 -7.242) 7.242 18.961 ( 0.000 0.000 15.730) 15.730 19.722 ( 0.000 0.000 -11.946) 11.946 21.015 ( 0.000 0.000 -3.268) 3.268 ======================= Grid point 108 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 10.421 2.829 11.859) 16.039 0.590 ( 13.552 -16.288 7.258) 22.397 0.991 ( 5.106 -3.582 25.051) 25.815 1.725 ( 6.361 1.539 -0.140) 6.546 1.822 ( 2.129 0.336 2.510) 3.309 2.148 ( -4.388 0.712 3.296) 5.534 2.396 ( -2.143 2.161 53.478) 53.565 3.041 ( 13.442 9.252 -7.719) 18.052 3.253 ( 5.346 -5.584 5.739) 9.628 3.336 ( 0.581 -0.402 -11.283) 11.305 3.410 ( 1.150 -7.400 -7.744) 10.773 5.797 ( 0.835 0.010 22.486) 22.502 6.492 ( -0.159 0.041 -6.055) 6.057 7.147 ( -0.132 -0.668 -27.450) 27.459 9.486 ( 10.456 1.604 -15.394) 18.678 10.401 ( 0.066 0.095 -16.388) 16.388 14.111 ( 0.319 -0.238 22.140) 22.143 15.152 ( -0.086 -1.260 9.032) 9.120 17.710 ( -0.677 0.494 -4.657) 4.732 18.021 ( -0.920 -0.050 -2.977) 3.116 18.595 ( -0.190 -0.362 -7.247) 7.259 18.960 ( -0.029 0.258 15.311) 15.314 19.661 ( -2.837 13.402 -1.345) 13.765 20.327 ( -42.633 5.379 36.500) 56.380 ======================= Grid point 109 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 9.528 -0.866 9.191) 13.266 0.895 ( 7.562 -6.817 10.639) 14.726 1.277 ( 16.572 -12.605 9.734) 22.984 1.708 ( -3.886 0.031 -1.563) 4.188 1.982 ( 10.701 2.733 1.487) 11.145 2.060 ( -3.532 1.776 3.455) 5.250 2.361 ( -0.199 2.032 55.441) 55.479 3.098 ( 4.316 8.094 -0.501) 9.186 3.353 ( 0.813 -0.667 -11.607) 11.655 3.445 ( -1.097 -0.244 -7.400) 7.485 3.485 ( 9.931 -7.484 -0.894) 12.467 5.819 ( 1.387 0.027 22.543) 22.586 6.487 ( -0.292 0.096 -5.703) 5.711 7.150 ( -0.264 -1.073 -27.380) 27.403 9.643 ( 7.763 3.901 -16.517) 18.662 10.402 ( 0.085 0.158 -16.351) 16.352 14.122 ( 0.532 -0.397 22.114) 22.124 15.159 ( -0.297 -1.108 9.453) 9.522 17.687 ( -1.071 0.724 -4.112) 4.311 18.001 ( -1.120 0.160 -3.588) 3.762 18.594 ( -0.309 -0.616 -7.244) 7.276 18.955 ( -0.099 0.471 14.167) 14.176 19.308 ( -14.046 17.196 40.790) 46.441 19.887 ( -11.292 -10.444 -1.595) 15.464 ======================= Grid point 110 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 7.924 -1.550 7.210) 10.825 1.065 ( 6.613 -3.449 9.863) 12.366 1.592 ( -3.067 -0.544 -2.609) 4.063 1.754 ( 14.640 -13.835 3.775) 20.494 1.977 ( -2.372 2.560 3.209) 4.741 2.113 ( 4.309 1.941 0.619) 4.766 2.349 ( 0.387 1.291 56.903) 56.919 3.106 ( 3.099 8.485 -2.375) 9.340 3.351 ( -3.735 1.013 -8.747) 9.565 3.388 ( -0.722 0.485 -10.094) 10.131 3.758 ( 11.660 -6.598 5.294) 14.406 5.847 ( 1.462 0.035 22.667) 22.714 6.480 ( -0.332 0.132 -5.351) 5.363 7.154 ( -0.324 -1.065 -27.318) 27.340 9.724 ( 4.425 3.735 -12.820) 14.067 10.402 ( 0.064 0.161 -16.317) 16.318 14.136 ( 0.537 -0.399 22.082) 22.092 15.160 ( -0.314 -0.601 9.763) 9.787 17.660 ( -1.055 0.641 -3.423) 3.638 17.976 ( -1.112 0.520 -4.395) 4.563 18.594 ( -0.319 -0.655 -7.198) 7.235 18.948 ( -0.207 0.583 12.787) 12.802 19.007 ( -7.295 6.535 35.021) 36.365 19.823 ( -4.308 -5.939 -10.636) 12.921 ======================= Grid point 111 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 4.755 -1.063 6.689) 8.276 1.211 ( 6.269 -1.721 6.476) 9.176 1.493 ( -5.634 0.219 -1.879) 5.943 1.918 ( -1.684 -0.164 3.886) 4.238 2.090 ( 4.671 0.473 3.009) 5.577 2.186 ( 6.607 -7.203 9.002) 13.288 2.375 ( 3.346 -3.372 46.693) 46.934 3.021 ( -3.910 11.436 -4.228) 12.804 3.269 ( -1.863 0.488 -3.527) 4.019 3.395 ( 0.339 -0.326 -11.130) 11.140 4.002 ( 7.990 -4.245 5.719) 10.703 5.871 ( 0.966 0.018 22.821) 22.841 6.473 ( -0.230 0.102 -5.143) 5.150 7.156 ( -0.227 -0.658 -27.290) 27.299 9.760 ( 2.006 2.165 -10.152) 10.573 10.401 ( 0.030 0.100 -16.288) 16.289 14.147 ( 0.333 -0.247 22.071) 22.075 15.158 ( -0.187 -0.232 9.835) 9.840 17.639 ( -0.653 0.362 -2.830) 2.927 17.953 ( -0.751 0.454 -5.221) 5.295 18.593 ( -0.201 -0.425 -7.128) 7.143 18.881 ( -2.676 2.115 27.838) 28.046 18.942 ( -0.158 0.360 11.359) 11.366 19.801 ( -1.898 -2.752 -12.031) 12.487 ======================= Grid point 112 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 6.804) 6.804 1.305 ( 0.000 0.000 5.362) 5.362 1.411 ( 0.000 -0.000 -2.278) 2.278 1.903 ( 0.000 0.000 4.388) 4.388 2.099 ( 0.000 0.000 1.918) 1.918 2.274 ( 0.000 -0.000 42.920) 42.920 2.513 ( 0.000 -0.000 11.987) 11.987 2.873 ( 0.000 0.000 -2.651) 2.651 3.255 ( 0.000 -0.000 -2.810) 2.810 3.400 ( 0.000 0.000 -11.166) 11.166 4.101 ( 0.000 -0.000 5.525) 5.525 5.880 ( 0.000 0.000 22.895) 22.895 6.470 ( 0.000 -0.000 -5.086) 5.086 7.156 ( 0.000 -0.000 -27.286) 27.286 9.769 ( 0.000 0.000 -9.274) 9.274 10.401 ( 0.000 -0.000 -16.275) 16.275 14.152 ( 0.000 -0.000 22.072) 22.072 15.157 ( 0.000 -0.000 9.834) 9.834 17.631 ( 0.000 0.000 -2.592) 2.592 17.943 ( 0.000 -0.000 -5.603) 5.603 18.593 ( 0.000 -0.000 -7.095) 7.095 18.849 ( 0.000 -0.000 25.586) 25.586 18.939 ( 0.000 -0.000 10.751) 10.751 19.795 ( 0.000 -0.000 -12.246) 12.246 ======================= Grid point 119 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 9.397 -0.000 10.249) 13.905 0.812 ( 12.247 -0.000 8.038) 14.649 1.170 ( 16.007 -0.000 14.317) 21.476 1.709 ( -4.309 0.000 -1.766) 4.657 2.003 ( 10.493 -0.000 1.177) 10.558 2.080 ( -3.294 0.000 4.724) 5.759 2.381 ( -0.634 0.000 52.435) 52.438 3.216 ( 1.150 -0.000 3.196) 3.396 3.337 ( 6.248 -0.000 -17.953) 19.009 3.349 ( 0.618 -0.000 -11.212) 11.229 3.470 ( 7.205 -0.000 5.639) 9.149 5.819 ( 1.395 -0.000 22.542) 22.586 6.488 ( -0.287 0.000 -5.666) 5.673 7.141 ( -0.160 0.000 -27.280) 27.280 9.680 ( 7.683 -0.000 -19.708) 21.153 10.403 ( 0.067 -0.000 -16.349) 16.349 14.118 ( 0.571 -0.000 21.948) 21.956 15.148 ( 0.060 -0.000 8.967) 8.967 17.693 ( -1.177 0.000 -4.321) 4.478 18.002 ( -0.990 0.000 -3.371) 3.514 18.589 ( -0.253 0.000 -7.165) 7.170 18.959 ( -0.122 0.000 14.487) 14.488 19.548 ( -31.004 0.000 56.620) 64.552 19.713 ( -0.275 0.000 -11.750) 11.753 ======================= Grid point 120 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 9.504 1.433 6.617) 11.669 1.013 ( 8.450 -2.302 10.430) 13.619 1.545 ( 16.752 -4.690 3.577) 17.760 1.617 ( -3.754 -1.601 -0.765) 4.152 2.018 ( -2.086 1.667 3.671) 4.540 2.130 ( 2.671 0.346 0.794) 2.808 2.369 ( -0.267 0.807 54.867) 54.873 3.222 ( 2.010 4.513 -1.445) 5.147 3.354 ( -1.212 0.368 -11.733) 11.801 3.380 ( -1.756 -1.666 -11.626) 11.875 3.675 ( 12.747 -2.727 8.626) 15.631 5.847 ( 1.480 0.030 22.650) 22.698 6.481 ( -0.351 0.046 -5.268) 5.280 7.141 ( -0.072 -0.434 -27.159) 27.163 9.775 ( 3.429 1.846 -15.394) 15.879 10.403 ( 0.002 0.048 -16.334) 16.334 14.131 ( 0.647 -0.151 21.847) 21.857 15.151 ( 0.010 -0.377 9.108) 9.116 17.668 ( -1.272 0.255 -3.700) 3.921 17.982 ( -0.979 0.214 -4.105) 4.226 18.586 ( -0.159 -0.235 -7.100) 7.106 18.955 ( -0.272 0.202 13.110) 13.115 19.109 ( -13.279 4.309 41.543) 43.826 19.730 ( -0.634 -3.984 -11.114) 11.823 ======================= Grid point 121 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 7.670 2.951 5.222) 9.737 1.185 ( 7.838 -1.413 8.031) 11.311 1.497 ( -5.714 0.272 -1.837) 6.008 1.866 ( 2.697 -6.133 2.312) 7.088 2.058 ( 11.724 -1.236 2.109) 11.976 2.122 ( -2.844 -1.041 1.961) 3.608 2.361 ( 0.226 0.345 56.474) 56.476 3.189 ( -3.670 7.623 -5.614) 10.154 3.256 ( -4.484 -1.235 -4.190) 6.260 3.388 ( 0.574 -0.572 -11.442) 11.471 3.944 ( 11.377 -2.581 7.184) 13.700 5.872 ( 1.005 0.077 22.801) 22.824 6.474 ( -0.301 0.049 -5.071) 5.081 7.145 ( 0.163 -0.498 -27.136) 27.141 9.795 ( 0.597 1.855 -11.394) 11.559 10.402 ( -0.075 0.017 -16.340) 16.340 14.144 ( 0.512 -0.147 21.899) 21.906 15.153 ( -0.007 -0.300 9.394) 9.399 17.644 ( -0.932 0.227 -3.028) 3.176 17.961 ( -0.885 0.434 -4.929) 5.026 18.587 ( 0.088 -0.249 -7.059) 7.064 18.918 ( -5.055 1.937 30.356) 30.835 18.947 ( -0.422 0.204 11.809) 11.818 19.754 ( 0.410 -2.519 -11.648) 11.924 ======================= Grid point 122 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 3.723 5.328 5.654) 8.615 1.315 ( 2.965 1.008 5.307) 6.162 1.404 ( -1.608 -0.722 -1.940) 2.621 1.888 ( -0.326 -2.080 4.141) 4.646 2.069 ( -3.855 -3.176 2.693) 5.674 2.274 ( 3.016 -0.127 32.571) 32.710 2.443 ( 8.582 -5.260 22.764) 24.889 2.962 ( -10.190 7.783 -3.760) 13.362 3.230 ( -1.711 -2.658 -2.551) 4.062 3.400 ( 0.352 -0.002 -11.114) 11.120 4.107 ( 3.984 0.537 5.616) 6.906 5.881 ( 0.053 0.120 22.910) 22.911 6.470 ( -0.110 -0.024 -5.113) 5.115 7.155 ( 0.487 -0.163 -27.213) 27.218 9.775 ( -1.547 0.589 -9.424) 9.568 10.401 ( -0.125 -0.073 -16.342) 16.343 14.152 ( 0.221 0.010 22.079) 22.080 15.156 ( 0.087 -0.161 9.719) 9.721 17.631 ( -0.310 -0.007 -2.588) 2.606 17.946 ( -0.286 0.265 -5.634) 5.647 18.593 ( 0.382 0.009 -7.095) 7.106 18.851 ( -1.366 0.231 25.738) 25.775 18.939 ( -0.322 -0.004 10.748) 10.753 19.790 ( 1.943 -0.563 -12.110) 12.278 ======================= Grid point 123 (42/155) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.334 7.210 6.476) 9.782 1.244 ( -4.988 2.122 3.725) 6.577 1.488 ( 5.816 -0.449 -0.940) 5.909 1.907 ( 0.805 -1.008 3.900) 4.108 2.041 ( -2.859 -5.151 3.540) 6.873 2.259 ( -3.045 1.535 39.625) 39.771 2.502 ( -5.952 9.589 14.430) 18.319 2.843 ( 1.771 -8.349 -1.583) 8.680 3.231 ( -0.658 -3.906 -2.912) 4.916 3.400 ( -0.134 0.338 -10.957) 10.963 4.076 ( -4.915 4.228 4.775) 8.052 5.871 ( -0.944 0.114 22.875) 22.894 6.471 ( 0.144 -0.131 -5.285) 5.289 7.165 ( 0.735 0.474 -27.352) 27.366 9.730 ( -3.415 -1.288 -9.179) 9.878 10.399 ( -0.142 -0.176 -16.343) 16.345 14.152 ( -0.113 0.258 22.297) 22.299 15.160 ( 0.277 -0.026 10.094) 10.098 17.633 ( 0.329 -0.359 -2.585) 2.630 17.948 ( 0.506 -0.170 -5.738) 5.763 18.601 ( 0.586 0.453 -7.214) 7.252 18.852 ( 0.882 -1.366 25.659) 25.711 18.936 ( -0.168 -0.379 10.854) 10.862 19.839 ( 3.719 1.649 -12.429) 13.078 ======================= Grid point 124 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -5.200 7.699 6.953) 11.604 1.124 ( -4.936 3.581 7.239) 9.466 1.594 ( 4.734 -0.120 -2.362) 5.291 1.920 ( -3.485 -0.097 2.886) 4.526 2.006 ( -2.070 6.051 6.257) 8.947 2.072 ( -10.976 0.967 1.232) 11.087 2.344 ( -2.212 1.874 53.777) 53.855 2.959 ( -0.074 -8.576 -1.745) 8.753 3.292 ( 2.924 -5.742 -4.659) 7.951 3.389 ( -0.612 0.560 -11.094) 11.125 3.872 ( -10.726 6.459 3.633) 13.037 5.847 ( -1.465 0.046 22.716) 22.763 6.477 ( 0.306 -0.187 -5.520) 5.531 7.173 ( 0.762 1.174 -27.502) 27.537 9.665 ( -5.292 -3.042 -10.214) 11.899 10.398 ( -0.138 -0.250 -16.352) 16.355 14.144 ( -0.362 0.502 22.470) 22.479 15.167 ( 0.511 0.196 10.472) 10.487 17.648 ( 0.742 -0.749 -3.003) 3.183 17.967 ( 1.099 -0.549 -5.178) 5.322 18.607 ( 0.616 0.885 -7.352) 7.431 18.912 ( 3.161 -4.236 28.972) 29.450 18.939 ( 0.058 -0.853 12.416) 12.446 19.907 ( 5.902 3.851 -11.980) 13.899 ======================= Grid point 125 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -7.435 7.428 7.677) 13.015 0.998 ( -4.228 5.594 10.927) 12.983 1.545 ( -11.859 16.409 1.811) 20.327 1.715 ( 0.340 1.883 0.194) 1.923 1.909 ( -10.482 -5.657 2.094) 12.094 2.041 ( 3.912 -0.122 2.676) 4.741 2.326 ( -0.546 -1.830 58.902) 58.933 2.983 ( -3.032 -5.710 -0.544) 6.488 3.367 ( -0.542 0.893 -11.399) 11.447 3.395 ( 0.202 -4.907 -2.467) 5.496 3.611 ( -8.761 6.010 -4.102) 11.389 5.818 ( -1.385 -0.012 22.556) 22.599 6.485 ( 0.307 -0.166 -5.810) 5.821 7.174 ( 0.556 1.657 -27.619) 27.674 9.574 ( -7.286 -3.751 -11.699) 14.284 10.398 ( -0.120 -0.274 -16.372) 16.375 14.131 ( -0.428 0.648 22.551) 22.564 15.175 ( 0.676 0.653 10.600) 10.641 17.671 ( 0.822 -1.078 -3.625) 3.870 17.995 ( 1.281 -0.526 -4.366) 4.580 18.609 ( 0.478 1.107 -7.434) 7.531 18.944 ( 0.029 -0.827 13.327) 13.352 19.065 ( 6.172 -11.249 35.668) 37.906 20.013 ( 9.710 4.938 -8.441) 13.781 ======================= Grid point 126 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -7.640 7.022 8.334) 13.309 0.856 ( -4.099 11.734 10.502) 16.273 1.159 ( -8.716 18.342 13.874) 24.595 1.669 ( -9.042 -5.167 0.710) 10.439 1.813 ( -0.121 -0.539 2.072) 2.145 2.135 ( 5.086 -0.459 1.623) 5.359 2.346 ( 0.605 -3.226 59.264) 59.355 2.932 ( -7.456 -3.786 -1.447) 8.487 3.296 ( -7.662 1.158 10.160) 12.778 3.348 ( -0.427 0.986 -11.570) 11.620 3.536 ( 1.421 4.064 -20.480) 20.928 5.797 ( -0.832 -0.024 22.476) 22.491 6.491 ( 0.176 -0.109 -6.091) 6.094 7.167 ( 0.248 1.719 -27.661) 27.716 9.450 ( -7.895 -2.177 -10.922) 13.651 10.398 ( -0.074 -0.249 -16.398) 16.400 14.118 ( -0.287 0.638 22.512) 22.523 15.179 ( 0.531 1.421 10.045) 10.159 17.695 ( 0.561 -1.198 -4.218) 4.420 18.020 ( 0.962 -0.209 -3.671) 3.800 18.607 ( 0.248 1.038 -7.425) 7.501 18.951 ( 0.014 -0.725 14.608) 14.625 19.330 ( 5.907 -20.967 31.737) 38.493 20.246 ( 17.064 -3.234 4.408) 17.918 ======================= Grid point 127 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 7.658 8.559) 11.484 0.637 ( 0.000 23.373 9.364) 25.179 0.987 ( 0.000 6.530 25.822) 26.635 1.601 ( -0.000 -4.157 3.732) 5.587 1.825 ( -0.000 -0.168 0.653) 0.674 2.204 ( -0.000 -0.606 0.027) 0.606 2.407 ( -0.000 -5.950 58.002) 58.306 2.803 ( 0.000 1.476 -0.057) 1.477 3.218 ( 0.000 0.513 10.695) 10.707 3.337 ( 0.000 0.718 -11.250) 11.273 3.490 ( 0.000 10.105 -18.295) 20.900 5.789 ( -0.000 -0.018 22.465) 22.465 6.493 ( -0.000 -0.067 -6.213) 6.213 7.157 ( 0.000 1.330 -27.598) 27.630 9.361 ( 0.000 0.111 -7.080) 7.081 10.399 ( -0.000 -0.184 -16.411) 16.412 14.111 ( 0.000 0.475 22.352) 22.357 15.169 ( 0.000 2.049 9.178) 9.404 17.710 ( -0.000 -0.980 -4.608) 4.711 18.031 ( 0.000 0.007 -3.183) 3.183 18.602 ( 0.000 0.746 -7.346) 7.384 18.957 ( -0.000 -0.511 15.350) 15.359 19.561 ( -0.000 -18.781 9.664) 21.121 20.640 ( -0.000 -27.868 12.780) 30.659 ======================= Grid point 130 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 8.842 -0.000 4.120) 9.755 1.170 ( 8.687 -0.000 8.491) 12.148 1.501 ( -5.855 0.000 -1.473) 6.037 1.797 ( 6.507 -0.000 1.320) 6.640 2.059 ( 8.443 -0.000 2.777) 8.888 2.112 ( -3.670 0.000 2.037) 4.198 2.365 ( -0.332 0.000 56.583) 56.584 3.230 ( -1.986 0.000 -1.928) 2.768 3.270 ( -7.641 0.000 -8.067) 11.111 3.380 ( 1.226 -0.000 -12.088) 12.150 3.921 ( 12.910 -0.000 8.018) 15.198 5.872 ( 1.025 -0.000 22.800) 22.823 6.475 ( -0.328 0.000 -5.054) 5.064 7.141 ( 0.307 -0.000 -27.054) 27.056 9.812 ( -0.037 0.000 -11.999) 11.999 10.402 ( -0.118 0.000 -16.385) 16.385 14.143 ( 0.581 -0.000 21.836) 21.844 15.151 ( 0.097 -0.000 9.168) 9.168 17.646 ( -1.043 0.000 -3.104) 3.274 17.965 ( -0.920 0.000 -4.859) 4.946 18.585 ( 0.193 -0.000 -7.033) 7.036 18.936 ( -6.432 0.000 31.819) 32.463 18.948 ( -0.451 0.000 11.786) 11.794 19.731 ( 1.667 -0.000 -11.561) 11.681 ======================= Grid point 131 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 6.719 4.235 3.450) 8.659 1.330 ( 7.124 0.493 5.453) 8.985 1.393 ( -4.702 -0.377 -1.223) 4.873 1.832 ( -1.037 -3.375 3.093) 4.694 2.025 ( -5.307 -1.338 2.962) 6.223 2.270 ( 6.632 -0.149 16.180) 17.487 2.389 ( 6.007 -1.301 40.715) 41.176 3.070 ( -11.069 4.188 -4.579) 12.690 3.184 ( -3.387 -2.269 -2.291) 4.676 3.399 ( 0.664 -0.029 -11.105) 11.125 4.115 ( 6.308 0.294 5.807) 8.579 5.883 ( 0.088 0.075 22.936) 22.937 6.470 ( -0.178 -0.015 -5.159) 5.162 7.152 ( 0.788 -0.100 -27.098) 27.109 9.784 ( -2.543 0.366 -9.666) 10.002 10.399 ( -0.198 -0.046 -16.452) 16.454 14.152 ( 0.358 0.006 22.090) 22.093 15.153 ( 0.155 -0.100 9.533) 9.535 17.631 ( -0.503 -0.004 -2.580) 2.629 17.950 ( -0.474 0.165 -5.686) 5.709 18.593 ( 0.620 0.006 -7.096) 7.123 18.855 ( -2.288 0.147 25.989) 26.090 18.939 ( -0.521 -0.002 10.743) 10.756 19.781 ( 3.237 -0.355 -11.891) 12.329 ======================= Grid point 132 (49/155) ======================= q-point: (-0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 1.872 9.758 4.730) 11.004 1.277 ( -4.528 1.696 0.681) 4.883 1.479 ( 6.253 -0.543 0.679) 6.313 1.865 ( 0.534 -5.658 4.430) 7.206 1.949 ( -4.585 -3.470 3.264) 6.612 2.272 ( -2.793 0.386 45.992) 46.078 2.587 ( 7.222 -0.212 7.756) 10.600 2.811 ( -9.143 4.628 -0.249) 10.251 3.150 ( -3.068 -5.227 -2.239) 6.461 3.405 ( 0.053 0.206 -10.804) 10.806 4.134 ( -3.193 2.503 4.549) 6.095 5.874 ( -0.947 0.140 22.945) 22.965 6.469 ( 0.074 -0.098 -5.445) 5.447 7.171 ( 1.167 0.201 -27.296) 27.321 9.716 ( -4.406 -0.413 -8.751) 9.807 10.396 ( -0.214 -0.144 -16.476) 16.478 14.155 ( 0.063 0.166 22.489) 22.490 15.158 ( 0.288 -0.126 10.087) 10.092 17.628 ( 0.082 -0.221 -2.384) 2.396 17.947 ( 0.241 0.028 -6.233) 6.238 18.607 ( 0.920 0.295 -7.283) 7.347 18.836 ( -0.078 -0.598 24.390) 24.398 18.930 ( -0.445 -0.244 10.453) 10.466 19.857 ( 4.808 0.610 -12.565) 13.467 ======================= Grid point 133 (50/155) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -3.306 11.939 5.589) 13.591 1.181 ( -3.623 3.048 3.663) 5.986 1.589 ( 4.594 -0.594 -1.980) 5.037 1.898 ( -4.490 -4.145 3.204) 6.900 1.925 ( -0.473 -5.884 2.213) 6.304 2.174 ( -6.339 2.985 33.494) 34.219 2.463 ( -6.091 11.869 24.642) 28.021 2.837 ( 3.468 -5.595 -0.534) 6.604 3.172 ( -0.012 -8.267 -2.664) 8.685 3.399 ( -0.360 0.515 -11.041) 11.059 3.963 ( -11.030 4.214 3.885) 12.431 5.848 ( -1.509 0.111 22.789) 22.839 6.474 ( 0.288 -0.172 -5.730) 5.740 7.190 ( 1.239 0.835 -27.591) 27.631 9.627 ( -5.730 -1.566 -8.789) 10.608 10.394 ( -0.187 -0.236 -16.456) 16.458 14.152 ( -0.189 0.413 22.868) 22.873 15.167 ( 0.491 -0.146 10.767) 10.779 17.637 ( 0.466 -0.578 -2.605) 2.709 17.959 ( 0.858 -0.362 -6.228) 6.297 18.621 ( 0.961 0.777 -7.500) 7.601 18.860 ( 1.439 -2.092 25.948) 26.072 18.927 ( -0.290 -0.632 11.038) 11.060 19.953 ( 6.228 1.792 -13.106) 14.621 ======================= Grid point 134 (51/155) ======================= q-point: (-0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -6.239 11.543 6.143) 14.488 1.085 ( -2.858 4.828 7.562) 9.416 1.648 ( -0.643 -1.945 -3.645) 4.181 1.792 ( -12.149 -4.954 0.795) 13.145 1.876 ( -3.453 8.970 4.534) 10.627 2.071 ( 2.599 4.167 9.047) 10.294 2.325 ( -1.890 3.431 53.167) 53.311 2.905 ( -0.195 -3.583 -0.559) 3.632 3.277 ( 1.985 -9.115 -3.275) 9.887 3.384 ( -0.514 0.924 -11.497) 11.545 3.686 ( -12.920 3.226 1.143) 13.366 5.818 ( -1.417 0.030 22.588) 22.633 6.482 ( 0.335 -0.179 -5.965) 5.977 7.202 ( 0.954 1.563 -27.862) 27.922 9.525 ( -6.417 -2.099 -9.079) 11.315 10.393 ( -0.142 -0.292 -16.427) 16.430 14.142 ( -0.299 0.654 23.096) 23.107 15.179 ( 0.666 -0.105 11.410) 11.430 17.654 ( 0.563 -0.988 -3.099) 3.301 17.984 ( 1.161 -0.767 -5.728) 5.894 18.629 ( 0.737 1.243 -7.645) 7.781 18.928 ( 1.401 -2.944 21.071) 21.322 18.931 ( 1.149 -3.380 21.020) 21.321 20.067 ( 7.477 1.947 -12.586) 14.768 ======================= Grid point 135 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -6.293 10.611 6.353) 13.877 0.995 ( -1.618 6.426 11.140) 12.962 1.528 ( -7.029 18.899 2.145) 20.277 1.557 ( -9.602 -5.036 1.091) 10.897 1.814 ( 0.840 1.404 3.277) 3.663 2.138 ( 4.918 0.770 1.922) 5.336 2.301 ( -0.401 -1.634 60.757) 60.780 2.895 ( -3.045 -1.050 -0.733) 3.303 3.303 ( -5.379 -0.828 8.704) 10.265 3.366 ( -0.344 1.207 -11.803) 11.869 3.526 ( -1.951 -4.427 -15.169) 15.921 5.796 ( -0.840 -0.019 22.466) 22.481 6.488 ( 0.207 -0.140 -6.153) 6.159 7.200 ( 0.458 2.067 -27.986) 28.066 9.422 ( -5.454 -1.151 -8.501) 10.165 10.393 ( -0.080 -0.310 -16.418) 16.421 14.131 ( -0.226 0.799 23.103) 23.118 15.192 ( 0.581 0.142 11.594) 11.610 17.673 ( 0.400 -1.329 -3.629) 3.885 18.012 ( 0.909 -0.855 -5.011) 5.164 18.629 ( 0.365 1.472 -7.671) 7.820 18.936 ( -0.031 -1.034 13.403) 13.443 19.055 ( 2.902 -11.556 34.134) 36.154 20.210 ( 7.669 -1.349 -9.535) 12.310 ======================= Grid point 136 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 0.000 10.210 6.531) 12.120 0.915 ( 0.000 9.155 12.240) 15.285 1.259 ( 0.000 25.043 9.031) 26.622 1.502 ( -0.000 -7.404 3.929) 8.382 1.822 ( 0.000 0.000 1.303) 1.303 2.196 ( -0.000 -0.191 0.046) 0.196 2.325 ( -0.000 -3.811 61.601) 61.719 2.835 ( 0.000 2.097 -0.358) 2.127 3.230 ( 0.000 0.846 11.091) 11.124 3.353 ( 0.000 1.184 -11.635) 11.695 3.560 ( -0.000 -2.190 -21.260) 21.372 5.788 ( -0.000 -0.028 22.443) 22.443 6.491 ( -0.000 -0.110 -6.235) 6.236 7.186 ( 0.000 2.120 -27.903) 27.983 9.363 ( 0.000 0.185 -7.166) 7.168 10.395 ( -0.000 -0.296 -16.420) 16.423 14.122 ( 0.000 0.791 22.886) 22.900 15.195 ( 0.000 0.773 10.938) 10.965 17.689 ( -0.000 -1.433 -4.033) 4.281 18.027 ( -0.000 -0.573 -4.283) 4.322 18.620 ( 0.000 1.372 -7.586) 7.709 18.944 ( -0.000 -0.932 14.314) 14.345 19.215 ( -0.000 -18.336 33.797) 38.451 20.349 ( -0.000 -8.904 -3.316) 9.501 ======================= Grid point 141 (54/155) ======================= q-point: (-0.70 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 4.058 -0.000 3.197) 5.166 1.293 ( -4.677 0.000 -0.444) 4.698 1.473 ( 6.455 -0.000 1.456) 6.617 1.785 ( -2.007 0.000 4.830) 5.230 1.929 ( -3.494 0.000 3.086) 4.661 2.275 ( -3.051 0.000 46.852) 46.951 2.574 ( 10.236 -0.000 7.650) 12.779 2.877 ( -10.264 0.000 -0.283) 10.268 3.092 ( -4.581 0.000 -1.974) 4.988 3.407 ( 0.124 -0.000 -10.757) 10.758 4.155 ( -2.674 0.000 4.574) 5.298 5.875 ( -0.953 0.000 22.978) 22.998 6.468 ( 0.047 -0.000 -5.518) 5.519 7.173 ( 1.337 -0.000 -27.248) 27.281 9.713 ( -4.767 0.000 -8.659) 9.884 10.395 ( -0.237 0.000 -16.547) 16.549 14.157 ( 0.130 -0.000 22.565) 22.566 15.157 ( 0.283 -0.000 10.037) 10.041 17.626 ( -0.010 0.000 -2.307) 2.307 17.947 ( 0.123 -0.000 -6.435) 6.436 18.610 ( 1.053 -0.000 -7.309) 7.385 18.831 ( -0.371 0.000 23.993) 23.996 18.928 ( -0.556 0.000 10.300) 10.315 19.862 ( 5.178 -0.000 -12.567) 13.592 ======================= Grid point 143 (55/155) ======================= q-point: (-0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.645 5.725 3.041) 7.438 1.230 ( -1.522 4.456 2.481) 5.322 1.570 ( 2.560 -1.656 -3.385) 4.556 1.757 ( -4.775 -6.765 5.726) 10.068 1.905 ( 1.204 -0.154 2.160) 2.478 2.191 ( -4.820 0.185 45.521) 45.776 2.655 ( -3.295 8.491 11.509) 14.677 2.778 ( 4.261 -1.448 0.344) 4.514 3.036 ( -3.357 -6.660 -1.505) 7.608 3.405 ( -0.205 0.191 -11.000) 11.003 4.010 ( -11.492 1.428 4.435) 12.401 5.850 ( -1.558 0.060 22.849) 22.902 6.472 ( 0.282 -0.071 -5.883) 5.890 7.200 ( 1.555 0.292 -27.597) 27.643 9.611 ( -5.917 -0.433 -8.284) 10.189 10.391 ( -0.206 -0.098 -16.551) 16.553 14.157 ( -0.083 0.160 23.119) 23.120 15.164 ( 0.421 -0.111 10.763) 10.771 17.630 ( 0.311 -0.216 -2.364) 2.394 17.955 ( 0.615 -0.119 -6.963) 6.991 18.631 ( 1.196 0.311 -7.583) 7.683 18.838 ( 0.838 -0.585 24.349) 24.370 18.919 ( -0.470 -0.254 10.497) 10.510 19.971 ( 6.256 0.486 -13.574) 14.954 ======================= Grid point 144 (56/155) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -6.187 11.938 4.971) 14.336 1.155 ( -2.257 3.500 4.079) 5.829 1.548 ( -10.741 -9.234 -2.086) 14.317 1.728 ( -0.419 -1.780 1.313) 2.251 1.956 ( 3.243 1.715 1.666) 4.029 2.125 ( -0.978 0.964 37.935) 37.960 2.490 ( -2.535 14.587 23.258) 27.571 2.862 ( 2.015 -1.566 -0.460) 2.593 3.095 ( 0.848 -12.264 -1.968) 12.450 3.397 ( -0.308 0.553 -11.495) 11.513 3.725 ( -15.780 1.461 4.619) 16.507 5.819 ( -1.471 0.040 22.624) 22.671 6.479 ( 0.366 -0.117 -6.106) 6.118 7.223 ( 1.306 0.921 -28.017) 28.062 9.502 ( -5.823 -0.811 -8.128) 10.031 10.389 ( -0.146 -0.189 -16.494) 16.495 14.151 ( -0.196 0.407 23.541) 23.546 15.175 ( 0.519 -0.293 11.574) 11.589 17.640 ( 0.386 -0.574 -2.706) 2.793 17.972 ( 0.848 -0.558 -7.099) 7.171 18.648 ( 0.985 0.833 -7.789) 7.895 18.871 ( 1.497 -1.918 26.427) 26.538 18.915 ( -0.293 -0.659 11.220) 11.243 20.087 ( 6.249 0.622 -14.348) 15.662 ======================= Grid point 145 (57/155) ======================= q-point: (-0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -6.601 11.923 5.414) 14.664 1.088 ( -1.242 4.619 6.945) 8.433 1.395 ( -11.312 -10.496 2.399) 15.616 1.740 ( 0.680 2.472 -3.415) 4.271 1.940 ( 0.401 11.424 7.129) 13.472 2.148 ( 3.058 -0.414 17.656) 17.924 2.344 ( -1.297 9.536 41.570) 42.669 2.886 ( -0.174 -0.171 -0.648) 0.692 3.228 ( 1.702 -9.605 -0.250) 9.758 3.385 ( -0.236 0.940 -11.855) 11.895 3.446 ( -11.520 -3.111 0.351) 11.938 5.796 ( -0.863 -0.007 22.458) 22.475 6.486 ( 0.242 -0.117 -6.221) 6.227 7.232 ( 0.690 1.628 -28.290) 28.345 9.409 ( -4.099 -0.426 -7.753) 8.781 10.388 ( -0.078 -0.252 -16.443) 16.445 14.143 ( -0.163 0.650 23.694) 23.703 15.188 ( 0.433 -0.471 12.214) 12.230 17.653 ( 0.268 -0.975 -3.132) 3.291 17.994 ( 0.692 -1.074 -6.741) 6.861 18.653 ( 0.516 1.341 -7.877) 8.007 18.918 ( -0.064 -1.339 13.338) 13.405 18.927 ( 1.349 -4.189 28.286) 28.626 20.194 ( 4.691 -0.669 -14.157) 14.930 ======================= Grid point 146 (58/155) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 11.140 5.552) 12.447 1.032 ( 0.000 5.766 9.749) 11.327 1.359 ( -0.000 -9.542 4.229) 10.437 1.663 ( 0.000 17.620 -2.854) 17.849 1.851 ( 0.000 6.487 5.299) 8.376 2.195 ( -0.000 -0.463 4.523) 4.547 2.291 ( 0.000 1.211 57.521) 57.534 2.868 ( 0.000 1.804 -0.652) 1.918 3.245 ( 0.000 0.873 11.424) 11.457 3.374 ( 0.000 1.203 -12.009) 12.069 3.435 ( -0.000 -11.949 -14.834) 19.048 5.788 ( -0.000 -0.026 22.416) 22.416 6.490 ( -0.000 -0.113 -6.262) 6.263 7.223 ( 0.000 2.077 -28.269) 28.345 9.367 ( 0.000 0.191 -7.273) 7.276 10.390 ( -0.000 -0.293 -16.429) 16.431 14.135 ( 0.000 0.799 23.532) 23.545 15.197 ( -0.000 -0.389 12.271) 12.277 17.665 ( -0.000 -1.279 -3.461) 3.689 18.012 ( -0.000 -1.209 -5.961) 6.082 18.645 ( 0.000 1.585 -7.832) 7.991 18.927 ( -0.000 -1.152 12.950) 13.001 18.996 ( -0.000 -8.351 32.310) 33.372 20.261 ( -0.000 -2.916 -12.448) 12.785 ======================= Grid point 153 (59/155) ======================= q-point: (-0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -3.833 0.000 3.372) 5.105 1.208 ( -3.551 0.000 4.766) 5.944 1.427 ( -14.029 0.000 -2.303) 14.217 1.716 ( 1.957 -0.000 1.111) 2.251 1.968 ( 4.911 -0.000 0.960) 5.004 2.128 ( -1.699 0.000 46.371) 46.403 2.673 ( 0.439 -0.000 14.470) 14.476 2.854 ( 3.299 -0.000 -0.330) 3.316 2.935 ( -2.726 0.000 -1.331) 3.033 3.402 ( -0.229 0.000 -11.494) 11.496 3.737 ( -16.689 0.000 5.700) 17.636 5.820 ( -1.498 0.000 22.640) 22.689 6.478 ( 0.380 -0.000 -6.164) 6.176 7.231 ( 1.448 -0.000 -28.066) 28.104 9.495 ( -5.636 0.000 -7.916) 9.717 10.387 ( -0.145 0.000 -16.524) 16.525 14.155 ( -0.158 0.000 23.712) 23.713 15.172 ( 0.448 -0.000 11.536) 11.545 17.635 ( 0.325 -0.000 -2.560) 2.581 17.967 ( 0.687 -0.000 -7.673) 7.703 18.655 ( 1.087 -0.000 -7.827) 7.902 18.857 ( 1.260 -0.000 25.349) 25.381 18.909 ( -0.375 0.000 10.855) 10.862 20.092 ( 5.884 -0.000 -14.810) 15.936 ======================= Grid point 155 (60/155) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -6.754 11.520 5.360) 14.390 1.142 ( -1.564 1.620 3.544) 4.199 1.211 ( -11.161 -10.901 2.518) 15.803 1.752 ( 1.423 0.069 -2.061) 2.506 2.054 ( 3.809 3.159 5.796) 7.621 2.123 ( 0.808 -1.756 40.342) 40.388 2.604 ( 0.094 17.194 15.586) 23.207 2.886 ( 1.108 0.209 -0.719) 1.337 3.000 ( 1.389 -15.293 -1.902) 15.473 3.396 ( -0.420 0.337 -11.051) 11.064 3.425 ( -14.113 -0.257 6.926) 15.723 5.796 ( -0.886 -0.000 22.455) 22.472 6.485 ( 0.265 -0.045 -6.265) 6.271 7.251 ( 0.844 0.612 -28.469) 28.488 9.405 ( -3.562 -0.095 -7.580) 8.376 10.385 ( -0.073 -0.097 -16.460) 16.461 14.151 ( -0.125 0.249 24.059) 24.061 15.181 ( 0.320 -0.263 12.197) 12.204 17.642 ( 0.200 -0.351 -2.849) 2.878 17.980 ( 0.481 -0.482 -8.005) 8.034 18.670 ( 0.624 0.544 -7.953) 7.996 18.883 ( 0.972 -1.038 26.775) 26.813 18.906 ( -0.173 -0.471 11.494) 11.505 20.187 ( 3.739 -0.215 -15.636) 16.078 ======================= Grid point 156 (61/155) ======================= q-point: (-0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 11.471 4.890) 12.470 1.110 ( 0.000 3.432 5.430) 6.424 1.189 ( -0.000 -10.776 4.673) 11.745 1.763 ( 0.000 0.736 -3.138) 3.223 2.037 ( 0.000 8.181 15.081) 17.157 2.165 ( -0.000 -2.667 23.596) 23.746 2.446 ( 0.000 17.516 24.760) 30.329 2.892 ( 0.000 0.992 -0.830) 1.293 3.181 ( -0.000 -17.866 -7.463) 19.363 3.257 ( 0.000 0.556 11.590) 11.603 3.390 ( 0.000 0.750 -12.255) 12.278 5.787 ( -0.000 -0.016 22.394) 22.394 6.488 ( -0.000 -0.071 -6.284) 6.285 7.252 ( 0.000 1.264 -28.558) 28.586 9.369 ( 0.000 0.121 -7.361) 7.362 10.386 ( -0.000 -0.180 -16.433) 16.434 14.147 ( 0.000 0.495 24.052) 24.057 15.188 ( -0.000 -0.517 12.495) 12.506 17.648 ( -0.000 -0.723 -3.063) 3.147 17.992 ( -0.000 -1.002 -7.664) 7.730 18.669 ( 0.000 1.077 -7.979) 8.051 18.905 ( -0.000 -1.704 20.068) 20.140 18.913 ( -0.000 -1.839 20.206) 20.289 20.230 ( -0.000 -1.036 -15.454) 15.489 ======================= Grid point 166 (62/155) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 0.000 0.919) 0.919 1.015 ( -0.000 -0.000 8.595) 8.595 1.140 ( 0.000 0.000 3.571) 3.571 1.766 ( 0.000 0.000 -2.512) 2.512 2.114 ( 0.000 0.000 48.991) 48.991 2.120 ( -0.000 -0.000 -0.486) 0.486 2.717 ( 0.000 0.000 12.962) 12.962 2.900 ( 0.000 0.000 -0.884) 0.884 2.923 ( -0.000 -0.000 -4.540) 4.540 3.262 ( 0.000 0.000 11.632) 11.632 3.397 ( 0.000 0.000 -12.340) 12.340 5.787 ( 0.000 0.000 22.386) 22.386 6.487 ( 0.000 0.000 -6.293) 6.293 7.262 ( 0.000 0.000 -28.667) 28.667 9.370 ( 0.000 0.000 -7.394) 7.394 10.384 ( 0.000 0.000 -16.435) 16.435 14.151 ( 0.000 0.000 24.251) 24.251 15.183 ( 0.000 0.000 12.425) 12.425 17.642 ( 0.000 0.000 -2.918) 2.918 17.983 ( 0.000 0.000 -8.396) 8.396 18.678 ( 0.000 0.000 -7.995) 7.995 18.889 ( 0.000 0.000 27.086) 27.086 18.902 ( 0.000 0.000 11.444) 11.444 20.222 ( 0.000 0.000 -16.181) 16.181 ======================= Grid point 214 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 0.000 11.784) 11.784 0.813 ( 0.000 0.000 24.346) 24.346 1.287 ( 0.000 0.000 9.886) 9.886 1.653 ( 0.000 0.000 -3.307) 3.307 1.842 ( 0.000 0.000 1.079) 1.079 2.213 ( 0.000 0.000 0.049) 0.049 2.793 ( 0.000 0.000 0.264) 0.264 3.099 ( 0.000 0.000 -9.988) 9.988 3.287 ( 0.000 0.000 -1.947) 1.947 3.564 ( 0.000 0.000 23.608) 23.608 3.811 ( 0.000 0.000 72.934) 72.934 6.297 ( 0.000 0.000 -13.258) 13.258 6.363 ( 0.000 0.000 31.930) 31.930 6.394 ( 0.000 0.000 -44.025) 44.025 9.145 ( 0.000 0.000 -14.000) 14.000 9.907 ( 0.000 0.000 -31.729) 31.729 14.697 ( 0.000 0.000 33.610) 33.610 15.399 ( 0.000 0.000 15.108) 15.108 17.633 ( 0.000 0.000 -2.864) 2.864 17.952 ( 0.000 0.000 -4.677) 4.677 18.390 ( 0.000 0.000 -12.239) 12.239 19.316 ( 0.000 0.000 2.083) 2.083 19.406 ( 0.000 0.000 -2.893) 2.893 20.914 ( 0.000 0.000 -6.614) 6.614 ======================= Grid point 215 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 13.529 0.094 8.854) 16.169 0.872 ( 3.173 -7.071 20.199) 21.635 1.318 ( 2.839 -2.452 10.398) 11.054 1.684 ( 1.812 0.989 -4.078) 4.570 1.867 ( 3.983 0.325 1.339) 4.215 2.165 ( -3.887 0.406 0.588) 3.953 2.886 ( 7.840 0.432 -2.838) 8.349 3.096 ( -0.365 -0.259 -10.305) 10.315 3.276 ( -1.108 -0.727 -1.867) 2.289 3.620 ( 5.492 -0.314 23.097) 23.743 3.804 ( -0.408 0.717 72.765) 72.769 6.298 ( 0.214 0.078 -13.331) 13.333 6.372 ( 0.925 0.081 31.252) 31.265 6.397 ( 0.110 -0.562 -42.862) 42.866 9.195 ( 4.896 0.178 -15.398) 16.158 9.906 ( -0.024 0.169 -31.886) 31.887 14.701 ( 0.161 -0.569 33.600) 33.606 15.404 ( -0.051 -1.057 14.959) 14.997 17.630 ( -0.268 0.203 -2.570) 2.592 17.939 ( -1.086 0.452 -4.768) 4.911 18.390 ( -0.112 -0.224 -12.217) 12.219 19.304 ( -1.164 0.160 3.514) 3.705 19.405 ( 0.100 0.599 -4.311) 4.354 20.676 ( -18.408 8.653 3.899) 20.710 ======================= Grid point 216 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 9.659 1.050 12.627) 15.932 1.030 ( 5.310 -7.283 8.302) 12.254 1.467 ( 8.586 -5.731 7.399) 12.701 1.672 ( -1.662 -1.939 -0.980) 2.735 1.994 ( 8.683 2.083 -0.470) 8.941 2.083 ( -3.712 0.958 0.946) 3.948 2.999 ( 4.197 3.803 -5.017) 7.566 3.106 ( 1.289 -1.327 -10.729) 10.887 3.262 ( -1.207 -0.672 -3.564) 3.823 3.758 ( 5.085 0.257 45.486) 45.770 3.804 ( 4.030 -1.072 49.401) 49.577 6.303 ( 0.338 0.284 -13.237) 13.244 6.391 ( 0.884 0.146 6.837) 6.895 6.410 ( 0.731 -1.000 -17.473) 17.517 9.306 ( 6.532 0.875 -17.215) 18.434 9.903 ( -0.062 0.261 -32.281) 32.282 14.711 ( 0.255 -0.931 33.562) 33.576 15.412 ( -0.198 -1.415 14.786) 14.854 17.621 ( -0.402 0.283 -1.813) 1.878 17.907 ( -1.626 0.895 -5.188) 5.510 18.390 ( -0.170 -0.389 -12.164) 12.172 19.270 ( -1.982 0.447 5.883) 6.224 19.402 ( 0.324 0.885 -6.187) 6.258 20.198 ( -20.888 8.955 17.371) 28.605 ======================= Grid point 217 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 6.794 -1.352 13.520) 15.192 1.162 ( 4.255 -2.907 3.299) 6.119 1.536 ( -3.199 0.850 -2.480) 4.136 1.843 ( 11.145 -12.441 5.047) 17.449 2.017 ( -1.355 1.613 1.944) 2.866 2.114 ( 5.140 2.578 -0.533) 5.774 2.997 ( 0.458 5.473 -6.641) 8.617 3.146 ( 1.133 -0.828 -9.787) 9.887 3.231 ( -1.619 1.166 -2.878) 3.502 3.763 ( -0.345 0.414 72.920) 72.922 4.009 ( 10.842 -3.167 18.765) 21.902 6.306 ( 0.358 0.498 -12.534) 12.549 6.399 ( -0.007 -0.380 -25.751) 25.754 6.441 ( 1.552 -0.602 15.718) 15.806 9.412 ( 5.309 1.381 -17.449) 18.291 9.900 ( -0.058 0.222 -32.691) 32.691 14.724 ( 0.252 -0.947 33.492) 33.506 15.418 ( -0.296 -1.127 14.842) 14.887 17.611 ( -0.359 0.222 -0.895) 0.989 17.865 ( -1.727 1.190 -5.851) 6.216 18.390 ( -0.163 -0.418 -12.111) 12.119 19.226 ( -2.067 0.621 7.132) 7.452 19.403 ( 0.662 0.987 -4.977) 5.117 19.794 ( -14.626 5.061 19.082) 24.569 ======================= Grid point 218 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.509 -2.136 13.545) 14.435 1.252 ( 3.877 -0.426 0.347) 3.916 1.445 ( -4.934 0.667 -1.754) 5.278 1.967 ( -1.178 -1.676 1.810) 2.734 2.137 ( 2.713 1.701 1.664) 3.609 2.201 ( 9.770 -8.227 0.262) 12.776 2.921 ( -2.889 7.044 -4.515) 8.852 3.156 ( -0.283 -0.284 -10.397) 10.405 3.204 ( -0.138 0.698 -1.305) 1.486 3.756 ( -0.169 0.026 72.769) 72.769 4.214 ( 7.192 -2.408 15.232) 17.016 6.308 ( 0.249 0.431 -11.464) 11.475 6.400 ( -0.219 -0.377 -32.540) 32.543 6.472 ( 1.142 -0.316 22.481) 22.512 9.480 ( 2.795 1.057 -16.965) 17.226 9.898 ( -0.006 0.103 -32.874) 32.874 14.735 ( 0.157 -0.595 33.421) 33.427 15.420 ( -0.218 -0.580 14.998) 15.011 17.604 ( -0.198 0.102 -0.151) 0.269 17.827 ( -1.190 0.885 -6.390) 6.560 18.391 ( -0.098 -0.270 -12.078) 12.081 19.187 ( -1.310 0.455 7.328) 7.458 19.412 ( 1.135 1.112 3.565) 3.903 19.556 ( -7.628 1.391 9.286) 12.098 ======================= Grid point 219 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 -0.000 14.406) 14.406 1.316 ( 0.000 0.000 -1.569) 1.569 1.364 ( 0.000 -0.000 -1.492) 1.492 1.964 ( 0.000 0.000 2.237) 2.237 2.139 ( 0.000 -0.000 1.855) 1.855 2.373 ( 0.000 -0.000 -3.160) 3.160 2.833 ( 0.000 0.000 -0.597) 0.597 3.154 ( 0.000 0.000 -10.816) 10.816 3.202 ( 0.000 -0.000 -1.419) 1.419 3.755 ( 0.000 0.000 72.568) 72.568 4.297 ( 0.000 -0.000 13.943) 13.943 6.308 ( 0.000 -0.000 -10.909) 10.909 6.399 ( 0.000 0.000 -34.064) 34.064 6.485 ( 0.000 0.000 23.843) 23.843 9.502 ( 0.000 0.000 -16.738) 16.738 9.898 ( 0.000 0.000 -32.880) 32.880 14.739 ( 0.000 -0.000 33.392) 33.392 15.420 ( 0.000 -0.000 15.070) 15.070 17.602 ( 0.000 -0.000 0.140) 0.140 17.811 ( 0.000 -0.000 -6.593) 6.593 18.391 ( 0.000 -0.000 -12.068) 12.068 19.172 ( 0.000 -0.000 7.233) 7.233 19.425 ( 0.000 -0.000 26.916) 26.916 19.472 ( 0.000 -0.000 -14.893) 14.893 ======================= Grid point 226 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 12.718 -0.000 3.355) 13.153 0.913 ( 4.709 -0.000 19.634) 20.191 1.416 ( 9.221 -0.000 9.786) 13.446 1.660 ( -3.654 0.000 -2.767) 4.583 2.011 ( 8.775 -0.000 -0.764) 8.809 2.094 ( -3.512 0.000 0.383) 3.532 3.044 ( 6.848 -0.000 -7.051) 9.829 3.086 ( -0.337 0.000 -10.729) 10.734 3.248 ( -1.210 0.000 -0.527) 1.319 3.764 ( 9.426 -0.000 21.982) 23.918 3.793 ( -0.907 0.000 72.368) 72.374 6.305 ( 0.388 -0.000 -12.999) 13.005 6.396 ( 0.028 -0.000 -43.070) 43.070 6.397 ( 1.634 -0.000 32.371) 32.412 9.314 ( 6.749 -0.000 -17.670) 18.915 9.906 ( -0.111 0.000 -32.193) 32.194 14.703 ( 0.346 -0.000 33.293) 33.295 15.399 ( 0.017 -0.000 14.976) 14.976 17.623 ( -0.454 0.000 -1.962) 2.014 17.914 ( -1.632 0.000 -4.871) 5.137 18.387 ( -0.137 0.000 -12.047) 12.048 19.274 ( -1.980 0.000 3.042) 3.630 19.410 ( 0.259 -0.000 -5.375) 5.382 20.279 ( -23.753 0.000 18.185) 29.915 ======================= Grid point 227 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 6.341 1.943 14.322) 15.783 1.105 ( 6.896 -3.306 2.601) 8.078 1.561 ( -3.119 2.175 -0.967) 3.924 1.677 ( 11.383 -6.713 6.115) 14.561 2.040 ( -1.076 0.895 0.924) 1.677 2.139 ( 4.163 0.649 -0.145) 4.216 3.074 ( 0.949 3.294 -10.369) 10.921 3.131 ( 1.350 -0.940 -9.223) 9.368 3.229 ( -1.347 -0.747 -1.232) 1.973 3.772 ( -0.817 0.501 72.799) 72.805 3.972 ( 11.266 -1.164 20.012) 22.994 6.311 ( 0.295 0.152 -11.829) 11.833 6.396 ( 0.024 -0.027 -40.471) 40.472 6.433 ( 1.767 -0.310 29.994) 30.047 9.430 ( 5.326 0.634 -18.154) 18.930 9.902 ( -0.219 0.045 -32.652) 32.653 14.713 ( 0.501 -0.358 33.112) 33.118 15.403 ( 0.054 -0.570 14.881) 14.892 17.614 ( -0.455 0.089 -1.080) 1.175 17.879 ( -1.843 0.425 -5.498) 5.814 18.385 ( -0.061 -0.149 -11.935) 11.936 19.232 ( -2.174 0.175 4.148) 4.687 19.416 ( 0.608 0.439 -7.408) 7.446 19.858 ( -17.896 2.218 25.288) 31.060 ======================= Grid point 228 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 5.676 0.800 11.778) 13.099 1.239 ( 5.402 -1.147 0.347) 5.533 1.465 ( -4.639 1.565 0.039) 4.896 1.893 ( 1.967 -6.279 1.447) 6.737 2.111 ( 10.433 -1.358 2.961) 10.930 2.160 ( -1.132 0.106 1.782) 2.114 3.031 ( -2.770 5.615 -8.094) 10.233 3.140 ( -0.703 -1.505 -10.255) 10.388 3.208 ( -0.919 -0.187 -1.133) 1.471 3.759 ( -0.277 0.225 73.037) 73.038 4.185 ( 8.987 -1.136 16.410) 18.744 6.312 ( -0.148 0.084 -11.006) 11.007 6.398 ( 0.277 0.145 -39.016) 39.017 6.466 ( 1.263 -0.376 28.709) 28.739 9.498 ( 2.360 0.945 -17.343) 17.528 9.898 ( -0.249 -0.108 -32.994) 32.995 14.727 ( 0.577 -0.359 33.136) 33.143 15.409 ( 0.124 -0.602 14.917) 14.929 17.606 ( -0.291 0.068 -0.276) 0.407 17.840 ( -1.650 0.601 -6.206) 6.449 18.387 ( 0.086 -0.158 -11.941) 11.942 19.193 ( -1.592 0.219 5.637) 5.862 19.428 ( 1.148 0.752 -6.626) 6.766 19.578 ( -9.985 1.062 22.409) 24.555 ======================= Grid point 229 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 3.241 1.487 11.216) 11.770 1.330 ( 2.193 1.274 -0.805) 2.661 1.369 ( -1.912 0.977 0.228) 2.160 1.938 ( 0.314 -3.381 1.589) 3.748 2.118 ( -3.362 -1.924 2.541) 4.633 2.344 ( 8.565 -2.451 -0.938) 8.958 2.883 ( -6.339 4.882 -2.555) 8.399 3.139 ( -0.902 -1.751 -9.135) 9.345 3.200 ( -0.246 -0.143 -2.790) 2.804 3.756 ( 0.109 0.159 72.546) 72.546 4.303 ( 2.523 0.600 13.869) 14.109 6.305 ( -0.551 -0.292 -11.758) 11.774 6.404 ( 0.648 0.588 -35.631) 35.641 6.483 ( 0.138 -0.262 26.285) 26.287 9.507 ( -0.748 0.460 -16.653) 16.676 9.895 ( -0.234 -0.306 -33.065) 33.067 14.739 ( 0.530 0.013 33.386) 33.391 15.417 ( 0.298 -0.327 15.045) 15.051 17.602 ( -0.077 0.000 0.141) 0.160 17.813 ( -0.729 0.160 -6.648) 6.689 18.391 ( 0.242 0.004 -12.071) 12.073 19.172 ( -0.439 -0.034 7.165) 7.179 19.428 ( -2.360 0.373 26.492) 26.599 19.470 ( 0.579 -0.213 -14.286) 14.299 ======================= Grid point 230 (73/155) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -1.795 5.392 13.756) 14.884 1.258 ( -3.304 0.605 -0.422) 3.385 1.441 ( 4.950 -0.012 -2.370) 5.488 1.968 ( 0.756 -1.159 2.416) 2.784 2.082 ( -3.247 -4.565 1.525) 5.806 2.353 ( -6.445 8.154 -2.981) 10.812 2.819 ( 1.169 -4.302 -0.245) 4.465 3.139 ( -0.634 -2.452 -6.796) 7.252 3.194 ( -0.635 -0.200 -4.426) 4.475 3.758 ( 0.233 0.228 72.319) 72.320 4.261 ( -5.181 2.988 13.740) 14.986 6.298 ( -0.558 -0.645 -12.960) 12.988 6.411 ( 0.630 0.937 -28.946) 28.968 6.475 ( -0.991 -0.002 20.170) 20.194 9.466 ( -3.380 -0.535 -16.459) 16.811 9.894 ( -0.198 -0.410 -33.025) 33.028 14.745 ( 0.363 0.611 33.767) 33.775 15.426 ( 0.534 0.117 15.104) 15.114 17.603 ( 0.095 -0.092 0.009) 0.133 17.813 ( 0.489 -0.762 -6.722) 6.783 18.396 ( 0.346 0.289 -12.259) 12.268 19.178 ( 0.820 -0.589 8.878) 8.936 19.394 ( -1.169 -0.922 15.087) 15.160 19.535 ( 5.297 -1.090 -5.179) 7.488 ======================= Grid point 231 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -5.808 5.963 12.608) 15.108 1.200 ( -2.446 1.783 2.852) 4.159 1.528 ( 3.727 -0.219 -3.351) 5.017 1.988 ( -0.952 -0.915 3.444) 3.689 2.048 ( -6.327 -5.420 -0.667) 8.358 2.074 ( -7.890 13.617 1.720) 15.831 2.903 ( 1.278 -5.509 -3.150) 6.473 3.154 ( -0.317 -0.618 -9.598) 9.623 3.188 ( -0.204 -3.089 -1.938) 3.652 3.761 ( 0.280 0.173 72.402) 72.402 4.073 ( -10.452 4.293 16.174) 19.730 6.295 ( -0.345 -0.711 -13.664) 13.687 6.409 ( -0.170 0.796 -9.833) 9.867 6.451 ( -1.109 0.513 0.538) 1.335 9.389 ( -5.336 -1.231 -16.544) 17.427 9.894 ( -0.105 -0.459 -32.877) 32.880 14.743 ( 0.150 1.188 34.110) 34.131 15.435 ( 0.685 0.729 14.956) 14.989 17.607 ( 0.215 -0.246 -0.598) 0.681 17.841 ( 1.332 -1.599 -6.449) 6.776 18.399 ( 0.358 0.571 -12.422) 12.440 19.211 ( 1.673 -1.161 10.671) 10.863 19.388 ( -0.432 -0.768 2.022) 2.206 19.706 ( 10.238 -5.048 6.829) 13.302 ======================= Grid point 232 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -8.579 4.905 12.020) 15.561 1.128 ( -2.466 4.413 5.399) 7.397 1.556 ( -1.627 3.101 -1.693) 3.890 1.753 ( -8.162 7.574 4.087) 11.861 1.948 ( -6.760 -2.589 1.656) 7.426 2.074 ( 3.984 0.368 1.485) 4.268 2.936 ( -2.001 -3.552 -2.796) 4.943 3.126 ( -1.420 1.107 -10.651) 10.802 3.239 ( 1.189 -3.834 -4.392) 5.950 3.762 ( -0.842 0.512 67.071) 67.078 3.833 ( -9.525 2.711 26.054) 27.873 6.296 ( -0.178 -0.491 -13.771) 13.781 6.391 ( -1.167 0.135 20.015) 20.050 6.429 ( -0.356 1.262 -30.563) 30.591 9.288 ( -6.039 -1.095 -16.302) 17.419 9.897 ( -0.026 -0.483 -32.535) 32.539 14.732 ( -0.017 1.520 34.273) 34.307 15.438 ( 0.604 1.466 14.632) 14.718 17.615 ( 0.270 -0.426 -1.433) 1.519 17.884 ( 1.499 -1.821 -5.969) 6.418 18.399 ( 0.279 0.716 -12.501) 12.524 19.256 ( 1.780 -1.374 11.939) 12.149 19.387 ( -0.232 -0.636 -5.847) 5.886 20.017 ( 14.801 -11.615 12.304) 22.480 ======================= Grid point 233 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -9.753 4.545 10.462) 15.008 1.026 ( -2.345 8.929 10.202) 13.759 1.410 ( -3.831 8.824 9.575) 13.573 1.648 ( -4.442 -3.318 -2.801) 6.212 1.863 ( -2.168 0.355 2.559) 3.373 2.157 ( 4.104 -0.356 1.083) 4.260 2.876 ( -5.491 -0.582 -1.853) 5.824 3.104 ( -0.036 0.629 -10.684) 10.702 3.278 ( 0.607 -1.410 -5.413) 5.626 3.634 ( -5.824 1.512 23.841) 24.588 3.786 ( 0.066 -1.077 72.920) 72.928 6.296 ( -0.113 -0.211 -13.467) 13.469 6.370 ( -0.862 -0.083 30.188) 30.201 6.414 ( -0.148 1.330 -42.026) 42.047 9.190 ( -4.423 -0.376 -15.099) 15.737 9.901 ( -0.002 -0.448 -32.129) 32.132 14.718 ( -0.072 1.497 34.201) 34.234 15.432 ( 0.293 2.039 14.445) 14.591 17.624 ( 0.206 -0.509 -2.213) 2.280 17.924 ( 1.030 -1.499 -5.471) 5.765 18.398 ( 0.146 0.664 -12.482) 12.500 19.295 ( 1.138 -1.049 11.206) 11.313 19.390 ( -0.117 -0.835 -8.496) 8.538 20.432 ( 13.695 -18.416 7.872) 24.262 ======================= Grid point 234 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 5.084 10.831) 11.965 0.915 ( 0.000 10.293 17.518) 20.318 1.322 ( 0.000 4.673 10.717) 11.692 1.624 ( -0.000 -3.330 -2.665) 4.265 1.845 ( 0.000 0.493 1.520) 1.598 2.208 ( -0.000 -0.465 0.310) 0.559 2.801 ( 0.000 0.944 -0.059) 0.945 3.102 ( 0.000 0.299 -10.200) 10.204 3.291 ( -0.000 -0.103 -4.160) 4.162 3.570 ( 0.000 0.692 23.595) 23.605 3.798 ( -0.000 -1.308 73.670) 73.682 6.296 ( -0.000 -0.088 -13.255) 13.255 6.362 ( -0.000 -0.060 31.895) 31.895 6.402 ( 0.000 0.986 -44.189) 44.200 9.145 ( 0.000 0.013 -14.047) 14.047 9.904 ( -0.000 -0.337 -31.867) 31.869 14.706 ( 0.000 1.136 33.940) 33.959 15.417 ( 0.000 1.949 14.655) 14.784 17.630 ( -0.000 -0.418 -2.658) 2.690 17.945 ( -0.000 -0.985 -5.065) 5.160 18.394 ( 0.000 0.467 -12.378) 12.387 19.313 ( -0.000 -0.463 7.099) 7.114 19.397 ( -0.000 -0.983 -6.324) 6.399 20.746 ( -0.000 -18.343 -0.828) 18.361 ======================= Grid point 237 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 5.585 -0.000 10.913) 12.259 1.225 ( 6.561 -0.000 -0.126) 6.562 1.483 ( -4.454 0.000 1.266) 4.631 1.827 ( 4.062 -0.000 2.130) 4.586 2.107 ( 8.749 -0.000 2.587) 9.124 2.160 ( -1.830 0.000 2.257) 2.905 3.098 ( -4.301 0.000 -7.837) 8.940 3.108 ( 0.558 -0.000 -11.812) 11.825 3.205 ( -0.819 0.000 -0.747) 1.108 3.761 ( -0.410 0.000 73.065) 73.066 4.175 ( 9.701 -0.000 16.815) 19.413 6.312 ( -0.314 0.000 -11.200) 11.204 6.400 ( 0.491 -0.000 -43.287) 43.289 6.462 ( 1.304 -0.000 33.263) 33.288 9.507 ( 2.201 -0.000 -17.478) 17.616 9.896 ( -0.362 0.000 -33.105) 33.107 14.724 ( 0.737 -0.000 33.026) 33.034 15.404 ( 0.279 -0.000 14.892) 14.895 17.606 ( -0.329 0.000 -0.323) 0.461 17.845 ( -1.799 0.000 -6.155) 6.412 18.386 ( 0.152 -0.000 -11.891) 11.892 19.195 ( -1.678 0.000 4.894) 5.174 19.434 ( 1.165 -0.000 -10.577) 10.641 19.587 ( -11.005 0.000 27.598) 29.712 ======================= Grid point 238 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 3.988 0.920 5.879) 7.164 1.341 ( 5.301 0.104 -1.622) 5.545 1.403 ( -2.948 2.103 5.180) 6.320 1.866 ( 0.106 -3.640 1.304) 3.868 2.095 ( -4.471 -0.613 3.687) 5.827 2.315 ( 10.483 -0.831 0.797) 10.546 2.958 ( -8.103 3.128 -4.647) 9.851 3.105 ( -1.686 -1.744 -7.135) 7.536 3.199 ( -0.037 -0.041 -4.269) 4.270 3.759 ( 0.148 0.097 72.512) 72.512 4.312 ( 4.018 0.361 13.765) 14.344 6.301 ( -0.803 -0.160 -12.856) 12.882 6.414 ( 0.994 0.385 -40.304) 40.318 6.478 ( 0.190 -0.203 32.098) 32.099 9.514 ( -1.229 0.292 -16.497) 16.545 9.890 ( -0.368 -0.197 -33.382) 33.385 14.740 ( 0.857 0.008 33.377) 33.388 15.412 ( 0.490 -0.202 15.004) 15.013 17.602 ( -0.124 0.000 0.143) 0.190 17.815 ( -1.175 0.098 -6.736) 6.838 18.391 ( 0.393 0.003 -12.076) 12.082 19.172 ( -0.708 -0.021 7.056) 7.091 19.435 ( -4.635 0.292 26.602) 27.004 19.466 ( 1.739 -0.194 -14.099) 14.207 ======================= Grid point 239 (80/155) ======================= q-point: (-0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.418 0.990 1.897) 2.180 1.313 ( -2.411 6.657 8.844) 11.330 1.440 ( 4.608 -0.210 -2.010) 5.032 1.912 ( 0.211 -5.769 1.312) 5.921 2.019 ( -4.241 -1.858 3.737) 5.950 2.443 ( 0.667 2.633 -3.692) 4.583 2.796 ( -3.719 1.294 0.796) 4.017 3.085 ( -2.240 -3.386 -3.269) 5.212 3.195 ( -0.460 0.125 -6.952) 6.969 3.762 ( 0.314 0.229 71.994) 71.995 4.306 ( -3.777 2.059 12.671) 13.382 6.289 ( -0.685 -0.450 -14.255) 14.278 6.428 ( 0.912 0.954 -31.932) 31.959 6.472 ( -0.957 -0.310 24.313) 24.334 9.462 ( -3.910 -0.080 -16.000) 16.471 9.886 ( -0.283 -0.406 -33.384) 33.387 14.754 ( 0.785 0.386 34.041) 34.053 15.425 ( 0.721 -0.147 15.168) 15.185 17.601 ( 0.026 -0.052 0.145) 0.157 17.803 ( -0.174 -0.403 -7.073) 7.087 18.400 ( 0.565 0.189 -12.418) 12.432 19.169 ( 0.298 -0.430 9.713) 9.727 19.382 ( -1.199 -0.462 23.240) 23.276 19.521 ( 3.803 -0.562 -15.155) 15.635 ======================= Grid point 240 (81/155) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -4.787 8.269 9.014) 13.135 1.228 ( -0.987 2.163 3.441) 4.183 1.522 ( 3.312 -0.704 -3.224) 4.676 1.933 ( -6.367 -7.855 -0.262) 10.115 1.975 ( -0.194 -0.614 3.943) 3.995 2.288 ( -6.679 11.165 -1.213) 13.067 2.825 ( 2.657 -3.417 -0.099) 4.329 3.088 ( -1.121 -5.530 -1.309) 5.792 3.177 ( -1.193 0.360 -8.406) 8.498 3.766 ( 0.299 0.312 71.804) 71.805 4.142 ( -10.213 3.620 14.146) 17.819 6.284 ( -0.264 -0.606 -14.667) 14.681 6.424 ( -0.751 0.864 7.337) 7.426 6.457 ( -0.352 0.227 -15.988) 15.994 9.374 ( -5.441 -0.664 -15.837) 16.758 9.886 ( -0.164 -0.511 -33.212) 33.217 14.761 ( 0.552 0.975 34.734) 34.752 15.441 ( 0.901 0.107 15.190) 15.217 17.604 ( 0.090 -0.170 -0.293) 0.351 17.815 ( 0.686 -1.372 -7.109) 7.272 18.408 ( 0.591 0.509 -12.766) 12.790 19.189 ( 0.996 -1.262 12.347) 12.451 19.380 ( 0.285 -0.167 13.749) 13.753 19.634 ( 6.637 -3.378 -8.578) 11.359 ======================= Grid point 241 (82/155) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -7.585 8.859 9.720) 15.182 1.186 ( -1.175 2.745 4.121) 5.089 1.568 ( 0.225 -1.320 -4.092) 4.305 1.793 ( -11.998 -3.766 -0.343) 12.580 1.974 ( -0.544 3.865 5.424) 6.682 2.134 ( 1.189 8.386 1.960) 8.694 2.883 ( 0.187 -2.654 -1.413) 3.013 3.135 ( 0.113 -4.331 -5.954) 7.364 3.149 ( -1.070 -2.166 -5.953) 6.424 3.769 ( 0.256 0.320 71.508) 71.510 3.889 ( -11.885 3.556 18.108) 21.950 6.287 ( 0.044 -0.508 -14.323) 14.332 6.394 ( -1.525 0.218 27.586) 27.629 6.450 ( 0.079 1.178 -38.104) 38.122 9.272 ( -5.572 -0.782 -15.560) 16.546 9.888 ( -0.066 -0.554 -32.905) 32.909 14.759 ( 0.277 1.537 35.168) 35.202 15.456 ( 0.869 0.602 14.902) 14.940 17.608 ( 0.118 -0.374 -0.976) 1.052 17.849 ( 1.088 -2.270 -6.888) 7.333 18.413 ( 0.456 0.823 -12.976) 13.010 19.225 ( 1.155 -2.136 14.813) 15.011 19.386 ( 0.452 0.552 2.278) 2.387 19.839 ( 9.263 -9.163 0.547) 13.041 ======================= Grid point 242 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -7.853 8.333 8.885) 14.494 1.137 ( -0.792 4.619 5.572) 7.281 1.547 ( -3.129 -1.447 -2.131) 4.053 1.600 ( -6.902 4.077 3.333) 8.682 1.906 ( -0.597 5.865 6.138) 8.511 2.162 ( 3.819 1.356 1.313) 4.260 2.869 ( -2.724 -0.259 -1.318) 3.037 3.116 ( -0.510 0.755 -11.192) 11.229 3.212 ( 0.558 -6.445 -4.138) 7.680 3.668 ( -7.305 2.321 22.275) 23.557 3.775 ( 0.061 -0.260 72.110) 72.111 6.292 ( 0.062 -0.269 -13.649) 13.651 6.369 ( -0.932 -0.042 30.922) 30.936 6.439 ( -0.052 1.563 -43.154) 43.182 9.184 ( -3.824 -0.327 -14.820) 15.308 9.892 ( -0.020 -0.567 -32.531) 32.536 14.747 ( 0.071 1.866 35.188) 35.238 15.462 ( 0.519 1.314 14.418) 14.487 17.614 ( 0.108 -0.577 -1.664) 1.765 17.889 ( 0.855 -2.549 -6.509) 7.042 18.412 ( 0.226 0.974 -12.974) 13.013 19.265 ( 0.781 -2.553 16.712) 16.924 19.388 ( 0.235 0.687 -6.300) 6.342 20.126 ( 8.430 -16.903 5.174) 19.584 ======================= Grid point 243 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 8.159 8.954) 12.114 1.077 ( 0.000 7.566 7.825) 10.885 1.459 ( 0.000 11.259 8.518) 14.118 1.545 ( -0.000 -6.078 -1.016) 6.162 1.868 ( 0.000 2.804 3.775) 4.702 2.203 ( -0.000 -0.010 0.681) 0.681 2.822 ( 0.000 1.479 -0.740) 1.654 3.109 ( 0.000 0.433 -10.782) 10.791 3.261 ( -0.000 -3.966 -5.691) 6.937 3.585 ( 0.000 1.114 23.539) 23.565 3.779 ( -0.000 -0.691 73.429) 73.432 6.294 ( -0.000 -0.143 -13.257) 13.258 6.361 ( -0.000 -0.099 31.813) 31.813 6.424 ( 0.000 1.571 -44.614) 44.642 9.145 ( 0.000 0.024 -14.170) 14.170 9.897 ( -0.000 -0.541 -32.231) 32.235 14.732 ( 0.000 1.851 34.815) 34.864 15.453 ( 0.000 1.958 14.189) 14.324 17.621 ( -0.000 -0.637 -2.141) 2.233 17.918 ( -0.000 -2.176 -6.019) 6.400 18.406 ( 0.000 0.896 -12.784) 12.815 19.293 ( -0.000 -2.120 16.458) 16.594 19.386 ( 0.000 0.062 -10.463) 10.464 20.388 ( -0.000 -22.073 4.992) 22.630 ======================= Grid point 248 (85/155) ======================= q-point: (-0.70 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.196 0.000 -0.506) 0.543 1.395 ( 0.488 -0.000 10.902) 10.913 1.430 ( 3.641 -0.000 -2.992) 4.712 1.843 ( -0.944 0.000 1.770) 2.006 2.007 ( -3.780 0.000 4.235) 5.677 2.461 ( 3.656 -0.000 -2.967) 4.709 2.819 ( -5.926 0.000 -0.385) 5.938 3.051 ( -2.888 0.000 -1.983) 3.503 3.196 ( -0.393 0.000 -7.458) 7.468 3.764 ( 0.345 -0.000 71.879) 71.880 4.324 ( -3.299 0.000 12.317) 12.751 6.285 ( -0.717 0.000 -14.731) 14.749 6.437 ( 1.178 -0.000 -40.524) 40.541 6.468 ( -1.124 0.000 33.337) 33.356 9.461 ( -4.132 0.000 -15.802) 16.334 9.882 ( -0.293 0.000 -33.583) 33.584 14.757 ( 0.946 -0.000 34.145) 34.158 15.424 ( 0.780 -0.000 15.183) 15.203 17.601 ( 0.003 -0.000 0.199) 0.199 17.799 ( -0.448 0.000 -7.226) 7.240 18.401 ( 0.653 -0.000 -12.481) 12.498 19.166 ( 0.070 -0.000 9.944) 9.944 19.378 ( -1.206 0.000 26.077) 26.104 19.516 ( 3.309 -0.000 -18.563) 18.856 ======================= Grid point 250 (86/155) ======================= q-point: (-0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.466 0.535 1.066) 1.890 1.349 ( -2.233 8.320 8.427) 12.051 1.493 ( 1.255 -3.149 -2.595) 4.269 1.812 ( -5.473 -5.054 0.965) 7.512 1.970 ( 0.126 -0.139 3.989) 3.993 2.424 ( -3.853 4.410 -3.550) 6.848 2.794 ( 2.262 -0.466 1.319) 2.659 3.007 ( -2.784 -3.260 0.805) 4.362 3.182 ( -0.995 0.168 -9.059) 9.115 3.770 ( 0.289 0.149 71.576) 71.577 4.186 ( -10.171 1.387 13.261) 16.770 6.277 ( -0.198 -0.236 -15.254) 15.257 6.435 ( -1.705 0.432 27.726) 27.781 6.458 ( 0.686 -0.011 -35.996) 36.003 9.367 ( -5.553 -0.182 -15.460) 16.428 9.879 ( -0.150 -0.228 -33.498) 33.500 14.773 ( 0.802 0.376 35.122) 35.133 15.441 ( 0.966 -0.064 15.355) 15.386 17.602 ( 0.027 -0.056 -0.093) 0.112 17.799 ( 0.164 -0.539 -7.564) 7.585 18.414 ( 0.755 0.206 -12.995) 13.019 19.173 ( 0.481 -0.546 12.639) 12.660 19.380 ( 1.018 0.055 24.085) 24.107 19.595 ( 4.618 -1.177 -20.501) 21.048 ======================= Grid point 251 (87/155) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -6.119 9.045 6.402) 12.659 1.228 ( -1.713 3.104 3.871) 5.249 1.506 ( -4.785 -6.427 -1.825) 8.218 1.723 ( -5.766 -3.136 -1.066) 6.650 2.006 ( 3.042 0.672 3.670) 4.814 2.312 ( -0.942 10.245 0.195) 10.290 2.849 ( 1.731 -1.361 -0.536) 2.266 3.011 ( -1.169 -7.197 1.413) 7.427 3.156 ( -1.324 0.520 -10.486) 10.582 3.773 ( 0.205 0.203 71.395) 71.396 3.940 ( -12.902 2.188 16.616) 21.150 6.280 ( 0.230 -0.319 -14.744) 14.749 6.397 ( -1.814 0.150 31.237) 31.290 6.466 ( 0.415 0.710 -41.741) 41.749 9.263 ( -5.301 -0.355 -15.162) 16.066 9.880 ( -0.045 -0.377 -33.250) 33.253 14.780 ( 0.513 0.959 35.905) 35.922 15.460 ( 0.945 -0.002 15.325) 15.354 17.603 ( 0.010 -0.193 -0.597) 0.627 17.815 ( 0.524 -1.618 -7.659) 7.845 18.425 ( 0.634 0.563 -13.405) 13.432 19.193 ( 0.583 -1.552 14.665) 14.759 19.402 ( 1.448 1.071 16.656) 16.753 19.719 ( 5.673 -5.034 -15.386) 17.154 ======================= Grid point 252 (88/155) ======================= q-point: (-0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -7.622 10.052 6.667) 14.269 1.194 ( -0.400 2.385 4.276) 4.913 1.435 ( -7.291 -8.482 0.769) 11.211 1.672 ( -0.912 2.032 -2.915) 3.668 2.033 ( 1.565 6.206 5.119) 8.196 2.232 ( 1.459 8.169 1.974) 8.530 2.867 ( -0.502 -0.049 -1.192) 1.295 3.076 ( 0.247 -9.270 -0.587) 9.292 3.128 ( -0.943 0.608 -11.639) 11.693 3.703 ( -8.862 1.684 21.180) 23.021 3.775 ( 0.150 0.163 71.127) 71.127 6.288 ( 0.243 -0.223 -13.799) 13.803 6.369 ( -1.054 -0.017 31.535) 31.552 6.463 ( 0.084 1.231 -44.176) 44.193 9.179 ( -3.385 -0.182 -14.697) 15.083 9.883 ( -0.008 -0.469 -32.947) 32.951 14.777 ( 0.213 1.522 36.200) 36.232 15.474 ( 0.602 0.270 14.981) 14.996 17.606 ( 0.016 -0.401 -1.132) 1.201 17.844 ( 0.522 -2.660 -7.492) 7.968 18.428 ( 0.334 0.910 -13.546) 13.581 19.220 ( 0.405 -2.514 16.217) 16.416 19.411 ( 0.800 1.945 6.551) 6.881 19.891 ( 4.859 -10.972 -6.939) 13.861 ======================= Grid point 253 (89/155) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 9.491 7.041) 11.817 1.165 ( 0.000 3.556 4.998) 6.134 1.426 ( -0.000 -7.949 1.143) 8.031 1.627 ( 0.000 6.704 -1.033) 6.783 1.969 ( 0.000 9.428 7.134) 11.823 2.217 ( 0.000 2.358 1.175) 2.635 2.848 ( 0.000 1.433 -1.286) 1.925 3.115 ( 0.000 0.377 -11.571) 11.577 3.155 ( -0.000 -8.403 -2.972) 8.913 3.604 ( 0.000 1.103 23.432) 23.457 3.776 ( 0.000 0.076 71.440) 71.440 6.291 ( -0.000 -0.144 -13.277) 13.278 6.359 ( -0.000 -0.100 31.727) 31.728 6.451 ( 0.000 1.541 -45.128) 45.155 9.146 ( 0.000 0.028 -14.324) 14.324 9.887 ( -0.000 -0.536 -32.682) 32.686 14.764 ( 0.000 1.865 35.919) 35.968 15.476 ( 0.000 0.783 14.543) 14.565 17.610 ( -0.000 -0.569 -1.534) 1.637 17.874 ( -0.000 -2.995 -7.093) 7.700 18.423 ( 0.000 1.066 -13.374) 13.416 19.247 ( -0.000 -2.987 17.259) 17.515 19.402 ( 0.000 1.772 -1.589) 2.380 20.061 ( -0.000 -16.308 -0.414) 16.313 ======================= Grid point 260 (90/155) ======================= q-point: (-0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.902 0.000 3.177) 3.303 1.331 ( -4.394 0.000 6.948) 8.221 1.385 ( -10.181 0.000 -1.427) 10.281 1.699 ( -2.480 0.000 -1.853) 3.096 2.010 ( 3.724 -0.000 3.372) 5.024 2.410 ( 0.065 -0.000 -1.798) 1.800 2.839 ( 2.107 -0.000 -0.149) 2.112 2.939 ( -2.418 0.000 3.043) 3.887 3.161 ( -1.265 0.000 -10.571) 10.646 3.775 ( 0.162 -0.000 71.394) 71.394 3.958 ( -13.298 0.000 16.336) 21.065 6.277 ( 0.302 -0.000 -14.904) 14.907 6.399 ( -1.923 0.000 32.307) 32.364 6.473 ( 0.540 -0.000 -42.801) 42.804 9.260 ( -5.221 0.000 -15.043) 15.923 9.877 ( -0.025 0.000 -33.394) 33.394 14.789 ( 0.604 -0.000 36.191) 36.196 15.459 ( 0.948 -0.000 15.511) 15.540 17.601 ( -0.024 0.000 -0.442) 0.443 17.800 ( 0.250 -0.000 -7.977) 7.981 18.430 ( 0.709 -0.000 -13.580) 13.599 19.179 ( 0.377 -0.000 14.381) 14.386 19.413 ( 2.032 -0.000 25.684) 25.764 19.676 ( 4.317 -0.000 -24.929) 25.300 ======================= Grid point 262 (91/155) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -8.819 9.817 3.870) 13.752 1.216 ( -0.753 -0.432 3.577) 3.681 1.287 ( -6.330 -8.057 4.056) 11.020 1.687 ( 0.283 0.275 -3.780) 3.800 2.084 ( 3.594 1.010 2.610) 4.555 2.392 ( 0.779 7.594 -0.110) 7.635 2.867 ( 0.727 0.003 -1.193) 1.397 2.932 ( -0.822 -6.272 2.748) 6.897 3.135 ( -1.184 0.237 -11.962) 12.023 3.723 ( -9.652 0.627 20.989) 23.110 3.777 ( 0.061 0.035 71.122) 71.122 6.285 ( 0.358 -0.086 -13.882) 13.887 6.368 ( -1.140 -0.004 31.801) 31.821 6.477 ( 0.174 0.464 -44.699) 44.701 9.177 ( -3.177 -0.054 -14.670) 15.010 9.878 ( 0.014 -0.181 -33.212) 33.212 14.795 ( 0.299 0.584 36.838) 36.844 15.475 ( 0.605 -0.058 15.492) 15.504 17.601 ( -0.033 -0.128 -0.789) 0.800 17.810 ( 0.218 -1.162 -8.139) 8.225 18.439 ( 0.414 0.377 -13.936) 13.948 19.189 ( 0.227 -1.005 15.325) 15.359 19.443 ( 1.385 1.375 22.311) 22.396 19.763 ( 2.992 -4.107 -22.921) 23.477 ======================= Grid point 263 (92/155) ======================= q-point: (-0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 9.297 4.917) 10.517 1.208 ( 0.000 1.655 4.235) 4.547 1.286 ( -0.000 -8.517 3.630) 9.258 1.685 ( 0.000 1.326 -4.046) 4.258 2.101 ( 0.000 4.105 3.164) 5.183 2.320 ( 0.000 9.974 1.694) 10.117 2.867 ( 0.000 0.867 -1.509) 1.741 2.997 ( -0.000 -9.643 0.605) 9.662 3.120 ( 0.000 0.209 -12.282) 12.284 3.620 ( 0.000 0.675 23.321) 23.331 3.777 ( 0.000 0.057 70.981) 70.981 6.289 ( -0.000 -0.089 -13.305) 13.306 6.358 ( -0.000 -0.062 31.670) 31.670 6.473 ( 0.000 0.938 -45.536) 45.545 9.146 ( 0.000 0.019 -14.450) 14.450 9.880 ( -0.000 -0.329 -33.048) 33.050 14.790 ( 0.000 1.160 36.836) 36.854 15.482 ( 0.000 0.004 15.249) 15.249 17.603 ( -0.000 -0.294 -1.047) 1.088 17.827 ( -0.000 -2.291 -7.964) 8.287 18.439 ( 0.000 0.743 -13.919) 13.939 19.204 ( -0.000 -1.981 15.962) 16.084 19.439 ( 0.000 2.378 14.099) 14.298 19.850 ( -0.000 -8.854 -15.152) 17.549 ======================= Grid point 273 (93/155) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 0.000 2.188) 2.188 1.183 ( 0.000 0.000 6.516) 6.516 1.222 ( 0.000 0.000 3.979) 3.979 1.694 ( 0.000 0.000 -4.214) 4.214 2.128 ( 0.000 0.000 1.864) 1.864 2.438 ( 0.000 0.000 -0.882) 0.882 2.875 ( 0.000 0.000 -1.546) 1.546 2.893 ( 0.000 0.000 3.380) 3.380 3.122 ( 0.000 0.000 -12.575) 12.575 3.626 ( 0.000 0.000 23.275) 23.275 3.778 ( 0.000 0.000 71.257) 71.257 6.289 ( 0.000 0.000 -13.319) 13.319 6.357 ( 0.000 0.000 31.651) 31.651 6.481 ( 0.000 0.000 -45.689) 45.689 9.146 ( 0.000 0.000 -14.498) 14.498 9.877 ( 0.000 0.000 -33.188) 33.188 14.800 ( 0.000 0.000 37.192) 37.192 15.481 ( 0.000 0.000 15.577) 15.577 17.600 ( 0.000 0.000 -0.850) 0.850 17.806 ( 0.000 0.000 -8.329) 8.329 18.445 ( 0.000 0.000 -14.143) 14.143 19.186 ( 0.000 0.000 15.422) 15.422 19.464 ( 0.000 0.000 25.717) 25.717 19.773 ( 0.000 0.000 -26.864) 26.864 ======================= Grid point 321 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 0.000 12.868) 12.868 1.303 ( 0.000 0.000 20.934) 20.934 1.443 ( 0.000 0.000 6.125) 6.125 1.500 ( 0.000 0.000 -10.828) 10.828 1.886 ( 0.000 0.000 4.135) 4.135 2.208 ( 0.000 0.000 -0.725) 0.725 2.802 ( 0.000 0.000 0.658) 0.658 2.943 ( 0.000 0.000 -5.482) 5.482 3.324 ( 0.000 0.000 7.433) 7.433 4.143 ( 0.000 0.000 31.853) 31.853 5.268 ( 0.000 0.000 38.083) 38.083 5.476 ( 0.000 0.000 -14.173) 14.173 5.947 ( 0.000 0.000 -21.048) 21.048 7.041 ( 0.000 0.000 33.650) 33.650 8.790 ( 0.000 0.000 -20.674) 20.674 9.115 ( 0.000 0.000 -45.584) 45.584 15.395 ( 0.000 0.000 32.597) 32.597 15.729 ( 0.000 0.000 16.087) 16.087 17.610 ( 0.000 0.000 0.484) 0.484 17.847 ( 0.000 0.000 -5.484) 5.484 18.137 ( 0.000 0.000 -11.020) 11.020 18.849 ( 0.000 0.000 -27.221) 27.221 19.792 ( 0.000 0.000 20.543) 20.543 20.744 ( 0.000 0.000 -10.063) 10.063 ======================= Grid point 322 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 9.302 -1.478 10.131) 13.832 1.283 ( -0.727 0.705 14.901) 14.935 1.477 ( 2.603 -0.688 4.190) 4.981 1.581 ( 6.655 -1.600 -2.437) 7.266 1.897 ( 1.138 -1.003 3.014) 3.374 2.173 ( -3.243 -0.104 -0.050) 3.245 2.848 ( 4.130 0.073 -0.974) 4.244 2.938 ( -0.498 -0.028 -5.318) 5.341 3.316 ( -0.482 0.681 7.706) 7.751 4.187 ( 4.396 -0.296 31.178) 31.488 5.264 ( -0.324 0.189 41.955) 41.957 5.471 ( -0.443 -0.028 -18.408) 18.413 5.958 ( 1.096 0.073 -20.470) 20.500 7.054 ( 1.353 0.053 33.894) 33.921 8.824 ( 3.485 0.122 -21.100) 21.386 9.110 ( -0.402 0.382 -45.847) 45.850 15.398 ( -0.052 -0.932 32.544) 32.558 15.730 ( -0.130 -0.549 15.937) 15.947 17.611 ( 0.196 0.067 0.663) 0.695 17.835 ( -0.896 0.748 -5.265) 5.393 18.137 ( 0.027 -0.063 -10.986) 10.987 18.852 ( -0.284 -1.202 -27.097) 27.125 19.769 ( -1.659 1.537 19.882) 20.011 20.636 ( -8.481 5.026 -6.417) 11.763 ======================= Grid point 323 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 8.319 -2.359 5.937) 10.489 1.279 ( 0.242 -0.768 9.206) 9.241 1.538 ( 4.121 3.158 2.760) 5.880 1.747 ( 6.932 -7.021 7.472) 12.376 1.964 ( 5.592 0.307 -1.580) 5.819 2.105 ( -3.488 0.018 0.913) 3.606 2.906 ( 0.565 1.383 -3.409) 3.722 2.947 ( 2.353 -0.908 -4.931) 5.539 3.298 ( -0.552 1.066 8.299) 8.386 4.308 ( 7.407 -0.772 29.107) 30.045 5.252 ( -0.605 0.303 50.598) 50.602 5.463 ( -0.443 -0.163 -27.712) 27.716 5.983 ( 1.474 0.246 -19.247) 19.305 7.090 ( 2.328 0.041 34.550) 34.628 8.909 ( 5.241 0.599 -22.201) 22.819 9.096 ( -0.538 0.462 -46.281) 46.286 15.407 ( -0.128 -1.533 32.390) 32.427 15.733 ( -0.214 -0.896 15.626) 15.654 17.616 ( 0.312 0.115 1.070) 1.120 17.803 ( -1.534 1.353 -4.801) 5.219 18.139 ( 0.040 -0.101 -10.907) 10.908 18.858 ( -0.545 -2.104 -26.819) 26.907 19.709 ( -2.620 2.528 18.173) 18.534 20.377 ( -11.917 7.219 1.275) 13.991 ======================= Grid point 324 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 4.639 -2.484 2.586) 5.863 1.296 ( 0.001 -2.150 3.910) 4.462 1.566 ( 2.004 3.725 9.049) 9.989 1.956 ( 5.297 -9.410 5.679) 12.201 2.050 ( 2.500 1.354 -0.063) 2.843 2.089 ( 5.342 1.783 -0.854) 5.696 2.886 ( -0.709 1.636 -3.389) 3.829 2.990 ( 0.829 -0.427 -5.643) 5.719 3.280 ( -0.324 1.172 9.129) 9.209 4.467 ( 7.828 -1.179 25.800) 26.987 5.238 ( -0.630 0.233 58.129) 58.133 5.458 ( -0.184 -0.255 -35.678) 35.679 6.006 ( 1.131 0.395 -18.112) 18.152 7.138 ( 2.539 -0.030 35.397) 35.488 8.992 ( 3.541 1.507 -27.317) 27.587 9.092 ( 0.808 -0.150 -42.628) 42.636 15.418 ( -0.181 -1.569 32.163) 32.202 15.736 ( -0.228 -0.903 15.391) 15.419 17.621 ( 0.311 0.121 1.441) 1.479 17.758 ( -1.712 1.544 -4.309) 4.887 18.140 ( 0.036 -0.101 -10.821) 10.822 18.864 ( -0.738 -2.272 -26.546) 26.654 19.636 ( -2.473 2.545 16.029) 16.417 20.103 ( -9.998 6.297 7.976) 14.256 ======================= Grid point 325 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 3.072 -1.310 0.004) 3.340 1.306 ( -0.998 -2.248 -0.271) 2.474 1.562 ( 0.471 2.268 14.912) 15.091 1.992 ( -1.352 -1.986 0.363) 2.430 2.159 ( 3.452 2.122 0.902) 4.151 2.219 ( 7.692 -4.199 1.059) 8.827 2.858 ( -0.412 2.147 -1.707) 2.774 2.985 ( -1.295 -0.428 -6.194) 6.342 3.268 ( -0.030 0.779 9.789) 9.820 4.605 ( 5.048 -0.934 22.541) 23.119 5.227 ( -0.365 0.081 62.061) 62.062 5.459 ( -0.011 -0.185 -39.740) 39.741 6.018 ( 0.525 0.324 -17.396) 17.407 7.180 ( 1.700 -0.064 36.114) 36.154 9.011 ( 0.396 1.170 -38.901) 38.921 9.130 ( 2.110 -0.184 -31.964) 32.034 15.426 ( -0.137 -0.991 31.944) 31.959 15.739 ( -0.155 -0.558 15.301) 15.312 17.625 ( 0.203 0.070 1.627) 1.642 17.718 ( -1.171 1.049 -3.884) 4.190 18.142 ( 0.020 -0.062 -10.756) 10.756 18.867 ( -0.615 -1.456 -26.303) 26.350 19.581 ( -1.381 1.530 14.109) 14.259 19.911 ( -5.364 3.537 11.830) 13.463 ======================= Grid point 326 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.000 -0.000 -1.543) 1.543 1.296 ( 0.000 0.000 -1.410) 1.410 1.555 ( 0.000 0.000 17.104) 17.104 1.988 ( 0.000 0.000 -0.122) 0.122 2.181 ( 0.000 -0.000 2.589) 2.589 2.322 ( 0.000 -0.000 -1.658) 1.658 2.842 ( 0.000 0.000 0.609) 0.609 2.970 ( 0.000 0.000 -6.880) 6.880 3.265 ( 0.000 -0.000 9.929) 9.929 4.659 ( 0.000 -0.000 21.179) 21.179 5.223 ( 0.000 0.000 63.163) 63.163 5.460 ( 0.000 -0.000 -40.845) 40.845 6.022 ( 0.000 -0.000 -17.162) 17.162 7.198 ( 0.000 0.000 36.395) 36.395 9.008 ( 0.000 0.000 -41.578) 41.578 9.153 ( 0.000 0.000 -29.592) 29.592 15.428 ( 0.000 -0.000 31.850) 31.850 15.739 ( 0.000 -0.000 15.286) 15.286 17.627 ( 0.000 -0.000 1.674) 1.674 17.702 ( 0.000 -0.000 -3.709) 3.709 18.142 ( 0.000 -0.000 -10.732) 10.732 18.867 ( 0.000 -0.000 -26.172) 26.172 19.561 ( 0.000 -0.000 13.257) 13.257 19.845 ( 0.000 -0.000 13.066) 13.066 ======================= Grid point 333 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 8.570 -0.000 5.375) 10.116 1.272 ( -0.480 0.000 9.493) 9.505 1.589 ( 8.826 -0.000 7.446) 11.547 1.658 ( 1.817 -0.000 6.373) 6.627 1.971 ( 6.980 -0.000 -2.718) 7.491 2.105 ( -3.395 0.000 0.403) 3.419 2.923 ( -0.852 0.000 -5.006) 5.078 2.934 ( 3.972 -0.000 -3.752) 5.464 3.307 ( -0.728 0.000 8.313) 8.345 4.302 ( 7.350 -0.000 29.426) 30.330 5.255 ( -0.654 0.000 48.447) 48.451 5.461 ( -0.472 0.000 -25.545) 25.549 5.985 ( 1.516 -0.000 -19.135) 19.195 7.090 ( 2.298 -0.000 34.563) 34.640 8.915 ( 5.497 -0.000 -21.973) 22.651 9.100 ( -0.766 0.000 -46.378) 46.385 15.394 ( 0.020 -0.000 32.203) 32.203 15.725 ( -0.156 0.000 15.842) 15.842 17.617 ( 0.304 -0.000 1.084) 1.126 17.814 ( -1.608 0.000 -4.759) 5.024 18.138 ( 0.051 -0.000 -10.819) 10.819 18.840 ( -0.387 0.000 -26.842) 26.845 19.731 ( -2.864 0.000 18.549) 18.769 20.440 ( -13.069 0.000 -0.040) 13.069 ======================= Grid point 334 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 5.430 -0.780 1.887) 5.801 1.268 ( -0.382 -1.002 4.118) 4.255 1.640 ( 0.906 4.428 11.420) 12.282 1.815 ( 8.161 -6.538 7.225) 12.710 2.063 ( 0.316 0.372 0.910) 1.033 2.112 ( 6.601 0.726 -2.595) 7.130 2.907 ( -0.389 0.752 -5.128) 5.197 2.984 ( 0.871 -0.257 -5.488) 5.562 3.292 ( -0.684 0.288 8.964) 8.995 4.454 ( 8.013 -0.362 26.541) 27.726 5.240 ( -0.767 0.081 56.298) 56.303 5.456 ( -0.160 -0.091 -33.940) 33.941 6.010 ( 1.122 0.155 -17.847) 17.883 7.137 ( 2.505 -0.007 35.397) 35.486 9.016 ( 4.735 1.014 -23.852) 24.339 9.085 ( -0.548 -0.476 -45.956) 45.961 15.399 ( 0.219 -0.593 31.884) 31.890 15.724 ( -0.064 -0.413 15.589) 15.594 17.622 ( 0.281 0.047 1.520) 1.547 17.776 ( -2.012 0.569 -4.287) 4.770 18.139 ( 0.064 -0.037 -10.691) 10.691 18.838 ( -0.205 -0.836 -26.439) 26.453 19.667 ( -3.160 0.973 16.538) 16.865 20.179 ( -12.131 2.484 6.803) 14.129 ======================= Grid point 335 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 4.227 -0.640 -0.068) 4.276 1.272 ( -0.446 -1.763 0.205) 1.830 1.617 ( 0.272 3.709 14.569) 15.036 1.932 ( -0.168 -4.442 2.133) 4.931 2.170 ( 9.075 -1.193 2.447) 9.475 2.187 ( 1.824 0.681 0.897) 2.143 2.895 ( 0.077 2.069 -4.606) 5.050 2.974 ( -1.845 -0.874 -5.989) 6.327 3.276 ( -0.661 0.234 9.608) 9.634 4.595 ( 5.795 -0.314 23.199) 23.914 5.227 ( -0.506 0.008 61.203) 61.205 5.456 ( 0.095 -0.121 -39.065) 39.066 6.023 ( 0.360 0.218 -17.123) 17.129 7.180 ( 1.730 -0.024 36.079) 36.120 9.039 ( -0.014 1.976 -40.692) 40.739 9.117 ( 1.953 -1.304 -30.056) 30.148 15.412 ( 0.541 -0.615 31.719) 31.730 15.729 ( 0.115 -0.522 15.396) 15.405 17.626 ( 0.147 0.047 1.725) 1.732 17.733 ( -1.821 0.661 -3.914) 4.367 18.141 ( 0.063 -0.038 -10.658) 10.658 18.846 ( 0.349 -0.907 -26.123) 26.141 19.603 ( -2.501 0.964 14.542) 14.787 19.963 ( -7.911 2.340 11.172) 13.888 ======================= Grid point 336 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.434 -1.152 -0.682) 1.407 1.300 ( 3.111 0.184 -1.861) 3.629 1.587 ( -0.193 3.457 16.088) 16.456 1.959 ( 0.148 -3.277 0.416) 3.306 2.175 ( -2.419 -0.506 3.119) 3.979 2.323 ( 4.477 0.106 -0.991) 4.586 2.856 ( -2.217 1.476 -0.626) 2.736 2.964 ( 0.429 -0.727 -6.675) 6.728 3.262 ( -0.819 -0.273 10.083) 10.120 4.663 ( 1.113 0.434 21.050) 21.084 5.222 ( -0.094 -0.091 63.056) 63.056 5.459 ( 0.157 -0.022 -40.888) 40.888 6.022 ( -0.292 0.038 -17.096) 17.098 7.198 ( 0.088 0.026 36.335) 36.335 9.019 ( -0.428 1.227 -42.584) 42.604 9.143 ( -0.425 -1.119 -28.527) 28.552 15.428 ( 0.865 -0.016 31.829) 31.841 15.737 ( 0.329 -0.288 15.333) 15.340 17.627 ( -0.054 0.001 1.675) 1.676 17.702 ( -0.909 0.070 -3.739) 3.848 18.142 ( 0.053 -0.002 -10.734) 10.734 18.866 ( 1.233 -0.076 -26.124) 26.153 19.561 ( -1.297 0.004 13.280) 13.343 19.847 ( -2.846 0.278 12.986) 13.297 ======================= Grid point 337 (104/155) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -1.396 0.577 -0.025) 1.510 1.343 ( 1.902 1.914 -1.440) 3.058 1.555 ( -1.011 1.548 15.222) 15.334 1.992 ( 0.804 -2.049 -0.406) 2.239 2.120 ( -4.195 -2.142 2.503) 5.334 2.298 ( -4.841 4.624 -2.227) 7.055 2.830 ( 0.053 -1.111 0.814) 1.378 2.987 ( 1.171 -0.186 -5.890) 6.008 3.251 ( -0.899 -1.179 10.416) 10.521 4.625 ( -4.173 1.435 21.460) 21.909 5.225 ( 0.228 -0.168 62.788) 62.789 5.462 ( 0.161 0.169 -40.522) 40.522 6.013 ( -0.744 -0.288 -17.623) 17.641 7.182 ( -1.665 0.096 36.055) 36.094 9.003 ( -0.771 0.224 -38.992) 39.000 9.122 ( -2.451 -1.086 -31.933) 32.045 15.443 ( 0.997 0.986 32.196) 32.226 15.745 ( 0.487 0.198 15.316) 15.325 17.624 ( -0.263 -0.058 1.498) 1.521 17.700 ( 0.284 -1.018 -3.882) 4.023 18.143 ( 0.036 0.062 -10.888) 10.888 18.892 ( 1.925 1.430 -26.518) 26.626 19.555 ( 0.025 -1.485 13.529) 13.610 19.853 ( 2.189 -3.235 12.564) 13.157 ======================= Grid point 338 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -3.037 3.246 2.273) 4.993 1.335 ( -0.683 2.479 4.100) 4.839 1.524 ( -1.905 -1.141 7.321) 7.650 2.002 ( -5.578 -4.304 -2.789) 7.577 2.063 ( -0.985 -0.467 2.693) 2.906 2.119 ( -5.322 8.846 2.300) 10.576 2.858 ( 1.056 -1.596 -0.967) 2.144 2.996 ( -0.616 0.187 -5.652) 5.689 3.252 ( -0.441 -2.152 10.196) 10.430 4.493 ( -7.614 1.875 24.353) 25.584 5.233 ( 0.427 -0.327 60.388) 60.390 5.464 ( 0.264 0.339 -38.005) 38.007 5.998 ( -1.152 -0.467 -18.477) 18.519 7.138 ( -2.600 0.062 35.346) 35.441 8.972 ( -3.165 -0.751 -28.530) 28.715 9.087 ( -1.466 -0.827 -41.619) 41.653 15.448 ( 0.854 1.970 32.629) 32.700 15.751 ( 0.496 0.761 15.268) 15.295 17.618 ( -0.360 -0.135 1.283) 1.339 17.727 ( 1.111 -2.025 -4.309) 4.890 18.142 ( 0.014 0.130 -11.056) 11.056 18.910 ( 1.771 3.012 -26.896) 27.122 19.588 ( 1.325 -3.111 15.162) 15.535 19.984 ( 6.636 -7.458 9.710) 13.926 ======================= Grid point 339 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -7.677 4.603 6.434) 11.023 1.294 ( -1.567 0.898 8.590) 8.777 1.501 ( -1.662 -1.290 -1.456) 2.559 1.819 ( -11.613 -0.096 0.100) 11.614 2.004 ( -1.406 6.097 4.910) 7.954 2.107 ( 3.843 0.606 1.697) 4.244 2.882 ( -0.310 -1.446 -1.925) 2.428 2.961 ( -2.109 0.757 -5.499) 5.938 3.269 ( 0.099 -2.484 9.024) 9.360 4.327 ( -7.637 1.476 28.118) 29.174 5.245 ( 0.462 -0.521 55.174) 55.179 5.467 ( 0.417 0.362 -32.487) 32.492 5.977 ( -1.366 -0.384 -19.510) 19.562 7.089 ( -2.410 -0.055 34.500) 34.584 8.897 ( -4.761 -0.715 -22.583) 23.091 9.084 ( 0.115 -0.951 -46.253) 46.263 15.442 ( 0.529 2.535 32.914) 33.016 15.751 ( 0.369 1.169 15.261) 15.310 17.613 ( -0.335 -0.182 1.002) 1.072 17.770 ( 1.271 -2.430 -4.845) 5.568 18.141 ( -0.007 0.174 -11.168) 11.169 18.908 ( 1.057 3.773 -26.947) 27.231 19.652 ( 1.955 -4.130 17.187) 17.784 20.218 ( 9.036 -11.193 4.321) 15.020 ======================= Grid point 340 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -8.812 4.177 9.817) 13.837 1.272 ( -0.396 -0.310 11.375) 11.386 1.481 ( -0.985 -0.434 -4.381) 4.511 1.619 ( -7.876 2.013 1.699) 8.305 1.943 ( -0.124 5.057 6.430) 8.182 2.177 ( 3.393 0.382 0.715) 3.489 2.846 ( -3.467 -0.153 -0.949) 3.598 2.939 ( 0.117 0.067 -5.578) 5.579 3.293 ( 0.250 -2.193 8.002) 8.301 4.197 ( -4.565 0.821 30.798) 31.146 5.257 ( 0.288 -0.550 47.715) 47.719 5.473 ( 0.385 0.207 -24.458) 24.462 5.956 ( -1.010 -0.188 -20.531) 20.556 7.052 ( -1.393 -0.138 33.851) 33.880 8.821 ( -3.270 -0.288 -21.168) 21.421 9.098 ( 0.285 -1.021 -46.194) 46.206 15.428 ( 0.202 2.488 32.965) 33.060 15.746 ( 0.185 1.260 15.435) 15.488 17.609 ( -0.203 -0.176 0.684) 0.735 17.811 ( 0.825 -2.162 -5.312) 5.794 18.139 ( -0.014 0.174 -11.190) 11.191 18.891 ( 0.425 3.440 -26.984) 27.206 19.721 ( 1.424 -4.073 18.988) 19.472 20.482 ( 7.045 -12.638 -2.634) 14.707 ======================= Grid point 341 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 3.292 12.174) 12.611 1.279 ( -0.000 -1.593 15.557) 15.638 1.487 ( -0.000 -1.533 -10.047) 10.163 1.499 ( 0.000 4.954 6.761) 8.382 1.909 ( 0.000 3.114 5.744) 6.534 2.211 ( 0.000 0.313 -0.253) 0.403 2.804 ( 0.000 0.218 0.389) 0.446 2.942 ( -0.000 -0.114 -5.601) 5.602 3.312 ( -0.000 -1.559 7.543) 7.702 4.147 ( 0.000 0.473 31.719) 31.723 5.264 ( -0.000 -0.395 41.806) 41.807 5.476 ( 0.000 0.052 -18.081) 18.081 5.946 ( -0.000 -0.081 -21.034) 21.034 7.040 ( -0.000 -0.125 33.626) 33.626 8.789 ( -0.000 -0.092 -20.713) 20.713 9.108 ( -0.000 -0.797 -45.805) 45.812 15.411 ( 0.000 1.874 32.819) 32.873 15.738 ( 0.000 1.024 15.747) 15.780 17.609 ( -0.000 -0.131 0.514) 0.531 17.835 ( -0.000 -1.518 -5.510) 5.715 18.138 ( 0.000 0.130 -11.124) 11.125 18.870 ( 0.000 2.441 -27.103) 27.213 19.766 ( -0.000 -3.073 20.034) 20.268 20.654 ( -0.000 -10.290 -7.571) 12.776 ======================= Grid point 344 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 4.816 -0.000 -0.615) 4.855 1.255 ( -0.430 0.000 0.701) 0.822 1.657 ( 0.023 -0.000 14.771) 14.771 1.884 ( 0.998 -0.000 3.122) 3.278 2.161 ( 8.995 -0.000 2.517) 9.341 2.193 ( 1.239 -0.000 0.958) 1.566 2.917 ( 1.050 -0.000 -6.270) 6.357 2.963 ( -2.802 0.000 -5.381) 6.067 3.278 ( -0.859 0.000 9.635) 9.674 4.592 ( 6.085 -0.000 23.388) 24.167 5.227 ( -0.567 0.000 60.815) 60.818 5.455 ( 0.131 -0.000 -38.798) 38.799 6.025 ( 0.299 -0.000 -17.000) 17.002 7.179 ( 1.741 -0.000 36.047) 36.089 9.064 ( -0.947 0.000 -47.837) 47.846 9.097 ( 2.672 -0.000 -22.851) 23.007 15.406 ( 0.795 -0.000 31.629) 31.639 15.724 ( 0.218 -0.000 15.459) 15.461 17.626 ( 0.125 -0.000 1.760) 1.765 17.739 ( -2.053 0.000 -3.931) 4.435 18.140 ( 0.079 -0.000 -10.622) 10.622 18.839 ( 0.697 -0.000 -26.056) 26.065 19.611 ( -2.931 0.000 14.702) 14.991 19.983 ( -8.885 0.000 10.902) 14.064 ======================= Grid point 345 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.097 -0.502 -0.245) 0.567 1.301 ( 4.212 0.012 -1.994) 4.660 1.649 ( 0.226 2.937 14.786) 15.077 1.897 ( -0.155 -3.012 1.678) 3.451 2.169 ( -3.221 -0.139 3.616) 4.844 2.324 ( 6.396 0.003 -0.096) 6.397 2.882 ( -4.050 1.188 -2.697) 5.009 2.949 ( 1.369 -0.761 -6.091) 6.289 3.258 ( -1.284 -0.162 10.317) 10.398 4.670 ( 1.791 0.267 20.846) 20.924 5.221 ( -0.156 -0.057 62.887) 62.888 5.459 ( 0.253 -0.014 -40.959) 40.960 6.023 ( -0.472 0.023 -16.989) 16.996 7.198 ( 0.142 0.016 36.238) 36.238 9.043 ( -0.675 1.172 -46.599) 46.619 9.121 ( -0.706 -1.106 -24.418) 24.453 15.428 ( 1.399 -0.010 31.794) 31.825 15.732 ( 0.530 -0.178 15.409) 15.419 17.627 ( -0.088 0.000 1.675) 1.678 17.703 ( -1.466 0.043 -3.786) 4.060 18.142 ( 0.085 -0.001 -10.736) 10.737 18.865 ( 1.987 -0.047 -26.048) 26.124 19.561 ( -2.105 0.003 13.316) 13.481 19.852 ( -4.593 0.171 12.858) 13.655 ======================= Grid point 346 (111/155) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.090 -0.104 0.426) 0.448 1.366 ( 2.814 0.922 -2.386) 3.803 1.609 ( -1.401 4.337 13.923) 14.650 1.928 ( -0.620 -4.869 0.308) 4.918 2.098 ( -3.914 -0.587 3.941) 5.585 2.359 ( -2.003 2.485 -4.173) 5.253 2.822 ( -0.878 0.005 1.360) 1.618 2.981 ( 1.198 -0.485 -5.099) 5.260 3.233 ( -1.701 -0.865 11.109) 11.272 4.648 ( -3.523 1.122 20.432) 20.764 5.222 ( 0.147 -0.152 63.095) 63.095 5.464 ( 0.296 0.096 -41.115) 41.116 6.009 ( -0.932 -0.161 -17.706) 17.732 7.183 ( -1.639 0.075 35.921) 35.959 9.018 ( -0.973 1.411 -40.975) 41.011 9.096 ( -2.841 -1.883 -29.919) 30.113 15.456 ( 1.712 0.607 32.378) 32.429 15.746 ( 0.752 -0.059 15.431) 15.449 17.623 ( -0.293 -0.025 1.389) 1.420 17.686 ( -0.510 -0.613 -3.920) 4.000 18.143 ( 0.084 0.038 -11.004) 11.004 18.912 ( 3.086 0.864 -26.671) 26.862 19.534 ( -1.018 -0.891 13.003) 13.074 19.809 ( -0.447 -1.850 13.113) 13.250 ======================= Grid point 347 (112/155) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.825 1.871 1.704) 2.662 1.379 ( -0.700 2.615 1.761) 3.230 1.531 ( -3.033 2.008 7.877) 8.676 1.912 ( -7.134 -6.087 -1.798) 9.548 2.058 ( 0.069 -0.132 3.897) 3.900 2.253 ( -3.155 6.583 -2.142) 7.608 2.836 ( 1.139 -0.912 1.031) 1.787 2.995 ( -0.258 -0.235 -5.202) 5.213 3.214 ( -1.463 -2.174 11.915) 12.200 4.525 ( -7.517 1.810 22.732) 24.011 5.228 ( 0.263 -0.294 61.852) 61.853 5.469 ( 0.384 0.285 -39.822) 39.824 5.991 ( -1.178 -0.360 -18.754) 18.795 7.140 ( -2.669 0.071 35.227) 35.328 8.969 ( -3.531 0.353 -27.788) 28.014 9.066 ( -1.409 -1.552 -42.531) 42.583 15.479 ( 1.562 1.621 33.115) 33.191 15.760 ( 0.774 0.325 15.377) 15.400 17.617 ( -0.403 -0.075 1.085) 1.160 17.695 ( 0.344 -1.752 -4.289) 4.646 18.144 ( 0.069 0.110 -11.322) 11.323 18.959 ( 3.111 2.655 -27.540) 27.842 19.540 ( 0.154 -2.429 14.140) 14.348 19.869 ( 3.257 -5.902 11.485) 13.317 ======================= Grid point 348 (113/155) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -6.382 5.821 5.406) 10.190 1.309 ( -2.735 1.055 7.469) 8.024 1.489 ( -1.323 -0.394 -2.718) 3.049 1.770 ( -10.718 -4.532 -2.282) 11.859 2.084 ( 1.905 1.346 4.779) 5.318 2.172 ( 1.403 7.782 1.717) 8.092 2.860 ( 0.090 -1.146 -0.625) 1.308 2.971 ( -1.905 0.466 -5.834) 6.155 3.218 ( -0.573 -3.424 11.321) 11.842 4.355 ( -8.075 1.699 26.711) 27.957 5.236 ( 0.280 -0.528 59.011) 59.014 5.474 ( 0.461 0.444 -36.870) 36.876 5.971 ( -1.236 -0.367 -19.777) 19.819 7.088 ( -2.523 -0.042 34.409) 34.501 8.888 ( -4.521 -0.379 -22.598) 23.049 9.065 ( -0.093 -1.229 -46.694) 46.710 15.487 ( 1.057 2.611 33.636) 33.753 15.768 ( 0.579 0.834 15.191) 15.225 17.610 ( -0.367 -0.157 0.849) 0.938 17.725 ( 0.776 -2.782 -4.791) 5.594 18.144 ( 0.040 0.188 -11.550) 11.552 18.979 ( 1.984 4.449 -27.690) 28.115 19.580 ( 1.071 -4.136 15.932) 16.495 20.027 ( 5.635 -10.904 7.675) 14.476 ======================= Grid point 349 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -8.327 6.107 8.633) 13.459 1.275 ( -0.619 0.612 7.643) 7.692 1.461 ( -2.710 -2.079 -5.825) 6.752 1.630 ( -5.478 -0.551 -0.760) 5.558 2.060 ( 0.429 7.846 8.042) 11.243 2.191 ( 3.310 1.739 1.401) 3.993 2.844 ( -2.307 -0.129 -0.975) 2.508 2.940 ( -0.602 0.061 -6.022) 6.052 3.243 ( -0.052 -3.661 9.631) 10.304 4.213 ( -4.950 1.086 30.106) 30.529 5.246 ( 0.201 -0.725 54.526) 54.531 5.478 ( 0.356 0.454 -32.008) 32.014 5.952 ( -0.878 -0.225 -20.607) 20.626 7.050 ( -1.464 -0.167 33.775) 33.807 8.816 ( -3.008 -0.290 -21.254) 21.468 9.077 ( 0.155 -1.313 -46.802) 46.821 15.477 ( 0.458 3.177 33.738) 33.890 15.768 ( 0.279 1.237 15.044) 15.097 17.606 ( -0.215 -0.210 0.653) 0.718 17.765 ( 0.637 -3.169 -5.262) 6.175 18.143 ( 0.011 0.235 -11.592) 11.594 18.964 ( 0.769 5.087 -27.273) 27.754 19.641 ( 1.023 -5.128 17.549) 18.312 20.244 ( 4.892 -14.921 2.447) 15.892 ======================= Grid point 350 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 5.643 10.399) 11.831 1.267 ( 0.000 0.116 9.874) 9.874 1.449 ( -0.000 -3.043 -7.882) 8.449 1.568 ( 0.000 2.870 1.916) 3.451 1.999 ( 0.000 7.451 8.678) 11.438 2.219 ( 0.000 0.714 0.696) 0.997 2.810 ( 0.000 0.519 -0.305) 0.602 2.939 ( -0.000 -0.311 -5.924) 5.932 3.272 ( -0.000 -3.155 8.428) 9.000 4.158 ( 0.000 0.754 31.375) 31.384 5.255 ( -0.000 -0.725 49.737) 49.742 5.479 ( 0.000 0.321 -26.672) 26.674 5.944 ( -0.000 -0.133 -20.997) 20.998 7.037 ( -0.000 -0.203 33.561) 33.562 8.787 ( -0.000 -0.147 -20.814) 20.814 9.090 ( -0.000 -1.296 -46.393) 46.411 15.454 ( 0.000 3.119 33.464) 33.609 15.759 ( 0.000 1.387 15.147) 15.210 17.606 ( -0.000 -0.212 0.553) 0.593 17.798 ( -0.000 -2.859 -5.496) 6.196 18.141 ( 0.000 0.228 -11.448) 11.450 18.929 ( 0.000 4.566 -27.038) 27.421 19.696 ( -0.000 -5.064 18.706) 19.379 20.428 ( -0.000 -15.796 -2.000) 15.922 ======================= Grid point 355 (116/155) ======================= q-point: (-0.70 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.348 -0.000 0.604) 0.697 1.374 ( 3.122 -0.000 -2.540) 4.025 1.659 ( -1.226 0.000 12.896) 12.954 1.873 ( -1.399 0.000 1.250) 1.876 2.094 ( -3.704 0.000 4.197) 5.598 2.380 ( -0.865 0.000 -4.558) 4.640 2.823 ( -1.389 0.000 0.932) 1.672 2.976 ( 1.234 -0.000 -4.516) 4.682 3.225 ( -2.004 0.000 11.377) 11.553 4.658 ( -3.291 0.000 20.015) 20.284 5.220 ( 0.122 -0.000 63.145) 63.145 5.465 ( 0.351 -0.000 -41.334) 41.335 6.008 ( -1.007 0.000 -17.713) 17.741 7.184 ( -1.630 0.000 35.849) 35.886 9.038 ( -0.324 0.000 -48.496) 48.497 9.072 ( -3.720 0.000 -22.367) 22.674 15.462 ( 1.989 -0.000 32.443) 32.504 15.745 ( 0.852 -0.000 15.497) 15.521 17.623 ( -0.295 0.000 1.350) 1.382 17.681 ( -0.836 0.000 -3.947) 4.035 18.144 ( 0.103 -0.000 -11.051) 11.051 18.919 ( 3.554 -0.000 -26.720) 26.955 19.527 ( -1.396 0.000 12.785) 12.861 19.794 ( -1.479 0.000 13.315) 13.397 ======================= Grid point 357 (117/155) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.402 0.445 1.868) 1.962 1.411 ( 0.620 0.983 -1.821) 2.161 1.582 ( -5.138 3.054 9.270) 11.030 1.817 ( -7.068 -4.285 -0.277) 8.270 2.057 ( 0.231 0.003 4.296) 4.302 2.329 ( -1.796 2.380 -4.999) 5.821 2.827 ( 1.005 -0.194 1.798) 2.069 2.990 ( 0.004 -0.264 -4.194) 4.203 3.186 ( -2.241 -0.892 13.014) 13.236 4.548 ( -7.521 0.753 21.701) 22.979 5.224 ( 0.188 -0.120 62.394) 62.394 5.472 ( 0.472 0.110 -40.732) 40.735 5.987 ( -1.197 -0.133 -18.877) 18.915 7.140 ( -2.716 0.032 35.117) 35.222 8.980 ( -4.718 0.720 -23.833) 24.306 9.041 ( -0.428 -1.160 -46.567) 46.583 15.499 ( 2.019 0.626 33.427) 33.494 15.763 ( 0.953 0.055 15.554) 15.584 17.616 ( -0.410 -0.005 0.962) 1.046 17.673 ( -0.235 -0.711 -4.297) 4.361 18.146 ( 0.106 0.043 -11.503) 11.504 18.992 ( 4.170 1.080 -28.146) 28.474 19.511 ( -0.543 -0.881 13.292) 13.333 19.798 ( 1.038 -2.268 12.832) 13.072 ======================= Grid point 358 (118/155) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -2.524 3.997 3.171) 5.692 1.336 ( -5.536 2.435 5.179) 7.963 1.480 ( -3.725 -0.898 -0.149) 3.834 1.691 ( -8.247 -4.326 -2.154) 9.559 2.094 ( 3.145 0.258 4.469) 5.470 2.293 ( 1.163 5.676 -1.788) 6.064 2.846 ( 0.341 -0.531 0.220) 0.668 2.976 ( -1.621 0.051 -5.699) 5.925 3.164 ( -1.427 -2.636 14.336) 14.646 4.379 ( -8.542 1.138 25.527) 26.942 5.229 ( 0.148 -0.319 60.935) 60.936 5.481 ( 0.540 0.301 -39.468) 39.473 5.966 ( -1.135 -0.218 -19.947) 19.980 7.087 ( -2.621 -0.019 34.309) 34.409 8.885 ( -4.649 -0.026 -22.040) 22.525 9.046 ( 0.033 -0.941 -47.625) 47.634 15.524 ( 1.512 1.655 34.291) 34.364 15.778 ( 0.777 0.354 15.431) 15.454 17.608 ( -0.388 -0.041 0.669) 0.774 17.684 ( 0.195 -1.955 -4.695) 5.090 18.147 ( 0.083 0.124 -11.910) 11.911 19.047 ( 3.184 3.315 -29.223) 29.582 19.523 ( 0.287 -2.483 14.735) 14.946 19.874 ( 2.799 -6.921 10.795) 13.125 ======================= Grid point 359 (119/155) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -8.247 6.882 6.460) 12.534 1.287 ( -0.340 0.629 5.046) 5.097 1.410 ( -5.260 -3.858 -2.906) 7.142 1.615 ( -2.246 -0.907 -3.070) 3.911 2.146 ( 2.495 2.002 5.215) 6.118 2.266 ( 1.627 6.921 1.208) 7.211 2.842 ( -1.041 -0.029 -1.019) 1.457 2.940 ( -1.409 -0.009 -6.497) 6.648 3.176 ( -0.420 -4.057 13.106) 13.726 4.231 ( -5.444 0.917 29.375) 29.889 5.235 ( 0.101 -0.577 58.809) 58.812 5.487 ( 0.384 0.472 -37.318) 37.323 5.949 ( -0.757 -0.177 -20.660) 20.675 7.047 ( -1.540 -0.133 33.691) 33.726 8.812 ( -2.864 -0.174 -21.278) 21.471 9.056 ( 0.113 -1.112 -47.494) 47.507 15.527 ( 0.733 2.664 34.645) 34.755 15.785 ( 0.399 0.775 15.155) 15.180 17.603 ( -0.230 -0.126 0.523) 0.585 17.711 ( 0.319 -3.083 -5.079) 5.950 18.147 ( 0.039 0.207 -12.083) 12.085 19.053 ( 1.374 5.318 -28.761) 29.281 19.561 ( 0.579 -4.191 16.097) 16.643 20.011 ( 2.820 -12.132 7.168) 14.371 ======================= Grid point 360 (120/155) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 6.698 8.035) 10.461 1.278 ( 0.000 1.017 6.336) 6.417 1.387 ( -0.000 -4.346 -4.808) 6.481 1.596 ( 0.000 0.741 -2.376) 2.489 2.131 ( 0.000 6.764 7.561) 10.145 2.245 ( 0.000 3.274 1.382) 3.553 2.821 ( 0.000 0.781 -1.100) 1.350 2.932 ( -0.000 -0.529 -6.382) 6.404 3.208 ( -0.000 -4.287 11.044) 11.847 4.171 ( 0.000 0.742 30.962) 30.971 5.242 ( -0.000 -0.750 56.280) 56.285 5.486 ( 0.000 0.520 -34.333) 34.337 5.942 ( -0.000 -0.134 -20.950) 20.951 7.033 ( -0.000 -0.204 33.481) 33.482 8.785 ( -0.000 -0.145 -20.940) 20.940 9.068 ( -0.000 -1.303 -47.138) 47.156 15.509 ( 0.000 3.240 34.401) 34.553 15.781 ( 0.000 1.103 14.968) 15.009 17.602 ( -0.000 -0.193 0.505) 0.540 17.743 ( -0.000 -3.501 -5.327) 6.374 18.145 ( 0.000 0.250 -11.950) 11.952 19.018 ( 0.000 5.811 -27.814) 28.415 19.607 ( -0.000 -5.169 17.076) 17.841 20.160 ( -0.000 -15.339 3.689) 15.777 ======================= Grid point 367 (121/155) ======================= q-point: (-0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.479 -0.000 2.910) 2.949 1.372 ( -6.733 0.000 -0.008) 6.733 1.464 ( -7.624 0.000 5.396) 9.341 1.650 ( -5.783 0.000 -2.764) 6.409 2.096 ( 3.326 -0.000 4.530) 5.620 2.343 ( 1.561 -0.000 -3.914) 4.214 2.841 ( 0.413 -0.000 0.437) 0.601 2.975 ( -1.456 0.000 -5.243) 5.441 3.141 ( -1.909 0.000 15.700) 15.816 4.389 ( -8.745 0.000 25.077) 26.558 5.226 ( 0.104 -0.000 61.440) 61.440 5.483 ( 0.578 -0.000 -40.283) 40.287 5.964 ( -1.097 0.000 -20.000) 20.030 7.087 ( -2.661 0.000 34.264) 34.367 8.885 ( -4.806 0.000 -21.586) 22.114 9.038 ( 0.181 -0.000 -48.221) 48.221 15.538 ( 1.694 -0.000 34.561) 34.603 15.781 ( 0.863 -0.000 15.590) 15.614 17.608 ( -0.387 0.000 0.613) 0.725 17.667 ( -0.086 0.000 -4.681) 4.682 18.148 ( 0.101 -0.000 -12.061) 12.061 19.077 ( 3.846 -0.000 -30.243) 30.487 19.502 ( -0.028 0.000 14.105) 14.105 19.813 ( 1.595 -0.000 12.449) 12.551 ======================= Grid point 369 (122/155) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -9.092 5.246 3.545) 11.079 1.285 ( -0.381 -1.330 2.978) 3.284 1.347 ( -5.525 -2.605 1.887) 6.393 1.605 ( -0.586 -0.305 -4.297) 4.348 2.162 ( 3.092 0.319 4.372) 5.365 2.363 ( 1.550 3.449 -2.197) 4.374 2.843 ( -0.243 0.045 -1.034) 1.063 2.939 ( -1.895 -0.060 -6.735) 6.997 3.122 ( -0.843 -1.965 16.859) 16.994 4.242 ( -5.792 0.357 28.926) 29.502 5.228 ( 0.039 -0.212 60.501) 60.501 5.493 ( 0.421 0.198 -39.767) 39.770 5.946 ( -0.687 -0.066 -20.683) 20.695 7.045 ( -1.589 -0.050 33.635) 33.672 8.810 ( -2.843 -0.050 -21.239) 21.428 9.043 ( 0.142 -0.439 -47.985) 47.987 15.559 ( 0.915 1.043 35.287) 35.315 15.793 ( 0.494 0.249 15.469) 15.479 17.602 ( -0.235 0.006 0.412) 0.475 17.672 ( 0.031 -1.359 -4.949) 5.132 18.149 ( 0.059 0.083 -12.433) 12.434 19.125 ( 2.061 2.592 -31.286) 31.461 19.511 ( 0.259 -1.576 15.092) 15.176 19.862 ( 1.414 -4.970 11.135) 12.275 ======================= Grid point 370 (123/155) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 6.050 5.367) 8.088 1.295 ( 0.000 0.807 4.635) 4.705 1.309 ( -0.000 -4.700 -1.441) 4.916 1.602 ( 0.000 0.098 -4.211) 4.212 2.189 ( 0.000 1.143 4.605) 4.745 2.338 ( 0.000 6.026 -0.044) 6.026 2.834 ( 0.000 0.697 -1.589) 1.735 2.922 ( -0.000 -0.520 -6.900) 6.919 3.138 ( -0.000 -3.642 15.309) 15.736 4.181 ( 0.000 0.452 30.637) 30.640 5.232 ( -0.000 -0.449 59.540) 59.541 5.494 ( 0.000 0.387 -38.700) 38.702 5.940 ( -0.000 -0.083 -20.912) 20.912 7.031 ( -0.000 -0.126 33.416) 33.416 8.783 ( -0.000 -0.089 -21.043) 21.043 9.050 ( -0.000 -0.809 -47.756) 47.763 15.555 ( 0.000 2.072 35.298) 35.359 15.795 ( 0.000 0.567 15.268) 15.279 17.600 ( -0.000 -0.052 0.377) 0.381 17.689 ( -0.000 -2.606 -5.098) 5.726 18.149 ( 0.000 0.167 -12.438) 12.439 19.111 ( 0.000 4.857 -30.245) 30.632 19.534 ( -0.000 -3.219 15.743) 16.069 19.942 ( -0.000 -9.964 8.732) 13.249 ======================= Grid point 380 (124/155) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 0.000 3.455) 3.455 1.257 ( 0.000 0.000 0.760) 0.760 1.302 ( 0.000 0.000 4.159) 4.159 1.602 ( 0.000 0.000 -4.684) 4.684 2.196 ( 0.000 0.000 4.176) 4.176 2.394 ( 0.000 0.000 -2.559) 2.559 2.841 ( 0.000 0.000 -1.664) 1.664 2.917 ( 0.000 0.000 -7.206) 7.206 3.104 ( 0.000 0.000 17.984) 17.984 4.185 ( 0.000 0.000 30.515) 30.515 5.228 ( 0.000 0.000 60.420) 60.420 5.498 ( 0.000 0.000 -40.043) 40.043 5.939 ( 0.000 0.000 -20.897) 20.897 7.030 ( 0.000 0.000 33.391) 33.391 8.782 ( 0.000 0.000 -21.083) 21.083 9.043 ( 0.000 0.000 -47.995) 47.995 15.573 ( 0.000 0.000 35.681) 35.681 15.799 ( 0.000 0.000 15.486) 15.486 17.600 ( 0.000 0.000 0.338) 0.338 17.666 ( 0.000 0.000 -5.031) 5.031 18.150 ( 0.000 0.000 -12.645) 12.645 19.157 ( 0.000 0.000 -32.382) 32.382 19.507 ( 0.000 0.000 15.187) 15.187 19.853 ( 0.000 0.000 11.636) 11.636 ======================= Grid point 428 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 0.000 13.611) 13.611 1.245 ( 0.000 0.000 -13.486) 13.486 1.542 ( 0.000 0.000 3.322) 3.322 1.553 ( 0.000 0.000 3.705) 3.705 2.038 ( 0.000 0.000 9.019) 9.019 2.169 ( 0.000 0.000 -3.633) 3.633 2.822 ( 0.000 0.000 1.370) 1.370 2.862 ( 0.000 0.000 -2.722) 2.722 3.671 ( 0.000 0.000 27.785) 27.785 4.431 ( 0.000 0.000 -44.555) 44.555 4.813 ( 0.000 0.000 32.665) 32.665 5.441 ( 0.000 0.000 -28.235) 28.235 6.777 ( 0.000 0.000 67.233) 67.233 7.710 ( 0.000 0.000 31.351) 31.351 8.058 ( 0.000 0.000 -57.691) 57.691 8.305 ( 0.000 0.000 -26.685) 26.685 15.919 ( 0.000 0.000 15.841) 15.841 15.991 ( 0.000 0.000 7.282) 7.282 17.648 ( 0.000 0.000 3.113) 3.113 17.734 ( 0.000 0.000 -5.258) 5.258 18.035 ( 0.000 0.000 3.500) 3.500 18.316 ( 0.000 0.000 -22.587) 22.587 20.183 ( 0.000 0.000 17.499) 17.499 20.502 ( 0.000 0.000 -13.717) 13.717 ======================= Grid point 429 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 5.042 -1.026 11.415) 12.521 1.258 ( 0.736 -0.400 -10.410) 10.444 1.569 ( 4.791 2.851 4.955) 7.459 1.623 ( 6.669 -0.347 0.284) 6.684 2.031 ( -1.586 -2.282 8.323) 8.775 2.148 ( -2.398 -0.919 -2.949) 3.911 2.842 ( 1.883 0.089 0.365) 1.920 2.866 ( 0.331 0.075 -2.084) 2.111 3.670 ( -0.009 0.203 28.107) 28.108 4.434 ( 0.197 -0.180 -44.624) 44.625 4.843 ( 3.026 -0.101 32.002) 32.144 5.459 ( 1.810 0.013 -27.675) 27.734 6.764 ( -1.040 0.613 67.064) 67.075 7.725 ( 1.640 0.039 30.553) 30.597 8.050 ( -0.470 0.671 -56.703) 56.709 8.333 ( 2.859 0.096 -26.973) 27.124 15.920 ( -0.253 -0.896 15.691) 15.718 15.990 ( -0.258 -0.461 7.288) 7.307 17.650 ( 0.288 0.148 2.986) 3.003 17.730 ( -0.217 0.511 -4.790) 4.822 18.035 ( 0.012 -0.149 3.533) 3.536 18.319 ( -0.119 -0.877 -22.670) 22.687 20.146 ( -2.809 2.151 16.704) 17.075 20.442 ( -4.576 3.099 -12.201) 13.394 ======================= Grid point 430 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 3.655 -2.148 6.744) 7.966 1.268 ( -0.452 -1.379 -5.937) 6.112 1.678 ( 9.207 4.190 7.659) 12.688 1.799 ( 11.433 1.614 -3.611) 12.098 2.023 ( -1.866 -4.285 6.292) 7.838 2.104 ( -2.805 -1.506 -1.504) 3.521 2.868 ( 0.165 0.191 -0.432) 0.500 2.882 ( 1.599 -0.233 -1.807) 2.424 3.669 ( 0.098 0.246 28.883) 28.884 4.441 ( 0.359 -0.289 -44.743) 44.745 4.923 ( 4.894 -0.213 30.107) 30.503 5.505 ( 2.806 0.054 -26.187) 26.337 6.731 ( -1.631 0.931 66.698) 66.724 7.768 ( 2.655 -0.210 27.460) 27.589 8.030 ( -0.681 1.417 -53.086) 53.109 8.405 ( 4.596 0.252 -27.754) 28.133 15.924 ( -0.460 -1.524 15.339) 15.421 15.989 ( -0.407 -0.852 7.288) 7.349 17.654 ( 0.325 0.360 2.532) 2.578 17.716 ( -0.563 1.007 -3.609) 3.789 18.038 ( 0.058 -0.267 3.641) 3.652 18.326 ( -0.226 -1.459 -22.842) 22.890 20.050 ( -4.364 3.416 14.783) 15.788 20.294 ( -6.856 4.751 -8.616) 11.992 ======================= Grid point 431 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 1.616 -2.389 3.032) 4.185 1.269 ( -0.872 -2.049 -3.503) 4.151 1.804 ( 6.105 4.048 10.453) 12.764 1.967 ( 4.393 2.668 -5.743) 7.707 2.067 ( 4.953 -4.294 3.408) 7.388 2.099 ( 2.244 -1.579 0.136) 2.747 2.862 ( -0.647 -0.029 0.712) 0.963 2.903 ( 0.049 -0.398 -3.135) 3.161 3.671 ( 0.239 0.151 29.726) 29.728 4.451 ( 0.413 -0.290 -44.786) 44.789 5.022 ( 4.911 -0.287 27.447) 27.884 5.558 ( 2.672 0.082 -24.332) 24.478 6.691 ( -1.575 0.857 66.400) 66.424 7.826 ( 2.693 -0.944 20.350) 20.549 8.002 ( -0.604 2.204 -45.358) 45.416 8.493 ( 4.540 0.392 -28.684) 29.044 15.928 ( -0.533 -1.615 14.977) 15.073 15.989 ( -0.411 -0.972 7.256) 7.332 17.655 ( 0.149 0.508 1.739) 1.817 17.693 ( -0.807 1.205 -2.228) 2.658 18.042 ( 0.102 -0.293 3.826) 3.839 18.333 ( -0.288 -1.484 -22.927) 22.977 19.937 ( -4.128 3.330 12.709) 13.771 20.125 ( -6.195 4.437 -4.917) 9.069 ======================= Grid point 432 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 1.069 -1.446 0.838) 1.984 1.270 ( -0.714 -1.718 -1.993) 2.727 1.839 ( 0.880 1.643 9.919) 10.093 1.966 ( -0.875 0.147 -3.257) 3.375 2.190 ( 5.398 0.538 2.112) 5.822 2.225 ( 6.269 -1.380 -0.794) 6.468 2.848 ( -0.550 -0.014 0.804) 0.974 2.891 ( -1.459 -0.489 -3.312) 3.652 3.675 ( 0.222 0.046 30.329) 30.330 4.460 ( 0.284 -0.181 -44.742) 44.743 5.103 ( 3.055 -0.222 25.026) 25.213 5.600 ( 1.593 0.060 -22.846) 22.902 6.661 ( -0.950 0.494 66.304) 66.313 7.883 ( 1.929 -2.012 8.332) 8.786 7.970 ( -0.577 2.813 -32.894) 33.019 8.562 ( 2.772 0.317 -29.379) 29.511 15.930 ( -0.371 -1.045 14.730) 14.772 15.990 ( -0.266 -0.655 7.206) 7.241 17.653 ( 0.007 0.385 0.920) 0.997 17.670 ( -0.610 0.829 -1.165) 1.555 18.046 ( 0.081 -0.190 4.011) 4.016 18.339 ( -0.218 -0.917 -22.852) 22.871 19.850 ( -2.422 2.008 11.237) 11.669 20.000 ( -3.515 2.596 -2.466) 5.017 ======================= Grid point 433 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 -0.000 -0.331) 0.331 1.268 ( 0.000 -0.000 -1.003) 1.003 1.837 ( 0.000 0.000 9.383) 9.383 1.956 ( 0.000 0.000 -3.158) 3.158 2.246 ( 0.000 -0.000 3.299) 3.299 2.295 ( 0.000 -0.000 -1.491) 1.491 2.845 ( 0.000 0.000 0.184) 0.184 2.872 ( 0.000 0.000 -2.836) 2.836 3.677 ( 0.000 -0.000 30.542) 30.542 4.464 ( 0.000 -0.000 -44.705) 44.705 5.134 ( 0.000 -0.000 24.034) 24.034 5.615 ( 0.000 -0.000 -22.289) 22.289 6.649 ( 0.000 0.000 66.308) 66.308 7.929 ( 0.000 -0.000 34.584) 34.584 7.934 ( -0.000 0.000 -58.993) 58.993 8.588 ( 0.000 0.000 -29.628) 29.628 15.931 ( 0.000 -0.000 14.644) 14.644 15.990 ( 0.000 -0.000 7.183) 7.183 17.651 ( 0.000 -0.000 0.562) 0.562 17.660 ( 0.000 -0.000 -0.764) 0.764 18.047 ( 0.000 -0.000 4.088) 4.088 18.340 ( 0.000 -0.000 -22.781) 22.781 19.817 ( 0.000 -0.000 10.710) 10.710 19.955 ( 0.000 -0.000 -1.644) 1.644 ======================= Grid point 440 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 3.702 -0.000 7.068) 7.979 1.256 ( -0.635 0.000 -6.178) 6.211 1.724 ( 9.882 -0.000 5.784) 11.450 1.807 ( 11.552 -0.000 -0.313) 11.556 1.983 ( -2.133 0.000 6.603) 6.939 2.090 ( -2.894 0.000 -2.519) 3.837 2.869 ( -0.069 0.000 -0.731) 0.734 2.880 ( 1.673 -0.000 -1.602) 2.316 3.671 ( 0.027 -0.000 28.497) 28.497 4.439 ( 0.394 -0.000 -44.667) 44.669 4.921 ( 4.889 -0.000 30.303) 30.695 5.505 ( 2.809 -0.000 -26.226) 26.376 6.739 ( -1.762 0.000 66.699) 66.723 7.767 ( 2.468 -0.000 26.613) 26.727 8.042 ( -0.581 0.000 -52.214) 52.217 8.408 ( 4.624 -0.000 -27.658) 28.042 15.911 ( -0.336 0.000 15.572) 15.576 15.982 ( -0.377 0.000 7.108) 7.118 17.657 ( 0.344 -0.000 2.720) 2.742 17.725 ( -0.585 0.000 -3.896) 3.940 18.035 ( 0.074 -0.000 3.321) 3.321 18.313 ( -0.089 0.000 -22.347) 22.347 20.080 ( -4.750 0.000 15.202) 15.927 20.335 ( -7.473 0.000 -9.401) 12.010 ======================= Grid point 441 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 2.129 -0.936 3.222) 3.973 1.244 ( -0.807 -0.827 -3.584) 3.766 1.880 ( 4.971 4.789 8.550) 10.988 1.963 ( -0.408 -3.988 4.927) 6.352 2.032 ( 10.538 1.144 -2.605) 10.916 2.072 ( 2.913 -1.595 -1.513) 3.650 2.862 ( -0.686 0.011 0.191) 0.712 2.897 ( -0.065 -0.184 -3.060) 3.067 3.672 ( 0.120 0.046 29.234) 29.234 4.448 ( 0.510 -0.097 -44.765) 44.768 5.019 ( 4.947 -0.104 27.836) 28.272 5.559 ( 2.631 0.011 -24.356) 24.497 6.702 ( -1.855 0.323 66.322) 66.349 7.814 ( 2.187 -0.388 16.569) 16.717 8.030 ( -0.362 0.902 -41.582) 41.593 8.498 ( 4.515 0.142 -28.491) 28.847 15.908 ( -0.162 -0.612 15.251) 15.264 15.977 ( -0.255 -0.390 7.003) 7.019 17.661 ( 0.094 0.179 2.084) 2.093 17.707 ( -1.024 0.444 -2.603) 2.832 18.038 ( 0.168 -0.109 3.359) 3.365 18.316 ( 0.105 -0.562 -22.231) 22.239 19.977 ( -5.068 1.279 13.196) 14.194 20.179 ( -7.543 1.723 -5.823) 9.684 ======================= Grid point 442 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 2.135 -1.005 0.630) 2.442 1.244 ( -0.046 -1.244 -1.742) 2.141 1.873 ( -0.403 2.285 8.251) 8.571 1.956 ( -1.571 -1.238 -0.649) 2.103 2.199 ( 6.150 0.387 0.962) 6.237 2.208 ( 7.316 -0.635 0.525) 7.362 2.849 ( -0.314 0.117 -0.075) 0.343 2.882 ( -1.530 -0.469 -3.120) 3.506 3.675 ( 0.116 -0.025 30.011) 30.011 4.458 ( 0.449 -0.065 -44.805) 44.807 5.100 ( 3.198 -0.121 25.353) 25.554 5.600 ( 1.488 -0.041 -22.806) 22.854 6.667 ( -1.325 0.294 66.156) 66.170 7.854 ( 1.333 -1.266 1.298) 2.250 8.011 ( -0.444 1.874 -25.928) 25.999 8.566 ( 2.578 0.179 -29.146) 29.260 15.915 ( 0.299 -0.676 14.889) 14.908 15.979 ( 0.084 -0.497 7.031) 7.049 17.658 ( -0.221 0.230 1.219) 1.260 17.681 ( -1.135 0.512 -1.431) 1.897 18.043 ( 0.211 -0.116 3.665) 3.673 18.326 ( 0.426 -0.569 -22.341) 22.352 19.878 ( -3.846 1.271 11.555) 12.244 20.037 ( -5.365 1.682 -3.047) 6.395 ======================= Grid point 443 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.613 -0.470 -0.068) 0.775 1.267 ( 1.990 -0.094 -1.176) 2.314 1.848 ( -0.643 1.200 8.314) 8.425 1.945 ( -0.523 -1.178 -2.122) 2.483 2.246 ( -0.898 0.033 3.498) 3.612 2.299 ( 1.333 0.425 -1.657) 2.169 2.846 ( -0.237 0.135 -0.032) 0.275 2.870 ( 0.723 -0.227 -2.652) 2.758 3.676 ( -0.078 -0.100 30.628) 30.628 4.465 ( 0.204 0.084 -44.792) 44.792 5.135 ( 0.227 0.028 23.962) 23.963 5.614 ( -0.135 -0.146 -22.197) 22.198 6.649 ( -0.428 -0.016 66.197) 66.199 7.888 ( 0.656 -2.220 -9.420) 9.700 7.977 ( -1.255 2.419 -15.142) 15.385 8.588 ( -0.316 -0.026 -29.432) 29.433 15.930 ( 0.884 -0.081 14.604) 14.631 15.988 ( 0.491 -0.178 7.234) 7.253 17.651 ( -0.351 0.006 0.568) 0.668 17.660 ( -0.738 0.026 -0.779) 1.073 18.047 ( 0.168 -0.000 4.090) 4.093 18.340 ( 0.792 -0.011 -22.766) 22.779 19.818 ( -1.707 0.051 10.737) 10.872 19.956 ( -2.149 0.133 -1.697) 2.742 ======================= Grid point 444 (135/155) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.265 1.084 1.149) 1.602 1.297 ( 1.646 1.449 -2.193) 3.102 1.823 ( -1.992 -0.194 9.550) 9.757 1.951 ( -0.554 -1.629 -3.698) 4.079 2.184 ( -4.732 -0.210 3.542) 5.915 2.251 ( -4.788 1.574 -2.764) 5.748 2.850 ( 0.732 0.134 1.481) 1.657 2.898 ( 1.507 0.275 -3.237) 3.581 3.673 ( -0.324 -0.151 30.904) 30.906 4.464 ( -0.093 0.276 -44.816) 44.817 5.107 ( -2.878 0.259 24.485) 24.655 5.597 ( -1.697 -0.226 -22.741) 22.806 6.652 ( 0.486 -0.512 66.288) 66.292 7.904 ( -1.999 -0.953 31.535) 31.613 7.937 ( 0.042 0.377 -56.307) 56.308 8.556 ( -3.013 -0.349 -29.295) 29.451 15.948 ( 1.257 0.982 14.464) 14.552 15.999 ( 0.749 0.463 7.540) 7.591 17.646 ( -0.330 -0.401 0.537) 0.747 17.655 ( -0.087 -0.828 -0.856) 1.194 18.049 ( 0.085 0.193 4.447) 4.452 18.355 ( 1.030 0.912 -23.468) 23.508 19.815 ( 0.655 -1.947 10.890) 11.082 19.957 ( 1.218 -2.439 -1.850) 3.295 ======================= Grid point 445 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.652 2.774 2.707) 3.930 1.307 ( 1.069 2.352 -3.257) 4.157 1.749 ( -7.246 -2.425 10.357) 12.871 1.913 ( -7.067 -3.544 -5.963) 9.903 2.116 ( -0.694 1.294 2.263) 2.698 2.144 ( -2.390 3.810 -0.205) 4.502 2.863 ( 0.524 0.109 1.373) 1.473 2.909 ( -0.159 0.357 -3.135) 3.159 3.667 ( -0.396 -0.245 30.684) 30.688 4.457 ( -0.273 0.433 -44.900) 44.903 5.028 ( -4.858 0.387 26.734) 27.174 5.556 ( -2.704 -0.218 -24.217) 24.368 6.675 ( 1.123 -1.078 66.404) 66.423 7.841 ( -3.491 0.714 28.908) 29.127 7.964 ( 0.931 -2.102 -54.121) 54.170 8.485 ( -4.582 -0.519 -28.738) 29.106 15.959 ( 1.202 2.029 14.499) 14.690 16.007 ( 0.735 1.102 7.787) 7.899 17.645 ( -0.289 -0.713 1.126) 1.364 17.669 ( 0.375 -1.584 -1.632) 2.305 18.048 ( 0.018 0.378 4.607) 4.623 18.362 ( 0.959 1.868 -24.076) 24.167 19.873 ( 2.586 -4.074 11.964) 12.900 20.041 ( 4.012 -5.337 -3.548) 7.561 ======================= Grid point 446 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -3.427 3.596 5.809) 7.643 1.299 ( 0.009 2.156 -5.184) 5.614 1.609 ( -8.818 -3.794 8.488) 12.814 1.755 ( -10.713 -3.407 -5.509) 12.519 2.106 ( 1.632 5.178 3.497) 6.458 2.133 ( 2.980 1.845 0.446) 3.533 2.864 ( -0.503 -0.228 0.141) 0.570 2.887 ( -1.671 0.269 -2.151) 2.737 3.663 ( -0.261 -0.401 29.984) 29.988 4.448 ( -0.277 0.507 -44.955) 44.959 4.928 ( -4.914 0.359 29.567) 29.975 5.503 ( -2.777 -0.133 -26.065) 26.213 6.710 ( 1.292 -1.520 66.640) 66.669 7.772 ( -3.102 0.218 29.736) 29.898 7.999 ( 0.867 -2.095 -55.536) 55.582 8.399 ( -4.520 -0.436 -27.882) 28.249 15.959 ( 0.825 2.576 14.724) 14.970 16.009 ( 0.532 1.397 7.853) 7.994 17.645 ( -0.308 -0.715 1.965) 2.114 17.692 ( 0.445 -1.815 -2.864) 3.420 18.044 ( -0.004 0.463 4.521) 4.545 18.359 ( 0.622 2.446 -24.179) 24.310 19.973 ( 3.338 -5.526 13.724) 15.167 20.188 ( 5.239 -7.568 -6.648) 11.354 ======================= Grid point 447 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -5.352 2.775 10.425) 12.043 1.271 ( -1.437 0.987 -9.480) 9.639 1.510 ( -4.521 -3.624 6.687) 8.848 1.612 ( -5.741 -1.710 -2.937) 6.672 2.097 ( 1.578 5.119 6.509) 8.430 2.174 ( 2.548 2.013 -1.412) 3.541 2.840 ( -1.905 -0.226 0.331) 1.947 2.863 ( -0.582 -0.211 -2.158) 2.245 3.664 ( -0.078 -0.507 29.063) 29.067 4.439 ( -0.164 0.485 -44.893) 44.896 4.846 ( -3.046 0.265 31.735) 31.882 5.459 ( -1.780 -0.040 -27.576) 27.633 6.745 ( 0.891 -1.612 66.960) 66.986 7.724 ( -1.791 -0.120 30.883) 30.935 8.029 ( 0.545 -1.734 -57.200) 57.229 8.330 ( -2.811 -0.262 -27.053) 27.199 15.949 ( 0.374 2.452 15.111) 15.313 16.005 ( 0.275 1.267 7.731) 7.839 17.645 ( -0.246 -0.495 2.634) 2.692 17.713 ( 0.231 -1.507 -4.122) 4.395 18.040 ( 0.000 0.420 4.242) 4.263 18.347 ( 0.253 2.385 -23.779) 23.900 20.078 ( 2.396 -5.648 15.656) 16.815 20.346 ( 3.873 -8.039 -10.238) 13.581 ======================= Grid point 448 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 1.751 12.985) 13.102 1.247 ( 0.000 0.211 -12.818) 12.819 1.496 ( -0.000 -3.377 6.377) 7.216 1.566 ( -0.000 -0.153 -0.444) 0.470 2.074 ( 0.000 4.081 8.181) 9.143 2.185 ( 0.000 1.725 -2.780) 3.272 2.820 ( -0.000 -0.214 1.282) 1.300 2.860 ( -0.000 -0.279 -2.753) 2.767 3.668 ( -0.000 -0.433 28.318) 28.321 4.434 ( 0.000 0.366 -44.730) 44.732 4.814 ( 0.000 0.179 32.560) 32.561 5.441 ( -0.000 -0.006 -28.182) 28.182 6.766 ( -0.000 -1.257 67.165) 67.177 7.708 ( -0.000 -0.166 31.343) 31.344 8.047 ( -0.000 -1.223 -57.799) 57.812 8.304 ( -0.000 -0.158 -26.701) 26.702 15.934 ( 0.000 1.803 15.507) 15.611 15.999 ( 0.000 0.899 7.511) 7.565 17.645 ( -0.000 -0.282 2.958) 2.971 17.726 ( -0.000 -1.003 -4.881) 4.983 18.037 ( 0.000 0.298 3.877) 3.888 18.332 ( 0.000 1.769 -23.186) 23.254 20.146 ( -0.000 -4.341 16.886) 17.435 20.447 ( -0.000 -6.295 -12.560) 14.050 ======================= Grid point 451 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 2.564 -0.000 0.510) 2.614 1.233 ( 0.164 -0.000 -1.593) 1.602 1.901 ( -1.443 0.000 6.556) 6.713 1.937 ( -1.223 0.000 1.496) 1.932 2.200 ( 8.313 -0.000 1.120) 8.388 2.205 ( 5.810 -0.000 0.370) 5.822 2.851 ( -0.140 0.000 -0.556) 0.573 2.878 ( -1.646 0.000 -2.927) 3.358 3.674 ( 0.071 -0.000 29.926) 29.926 4.458 ( 0.514 -0.000 -44.858) 44.861 5.099 ( 3.252 -0.000 25.452) 25.659 5.599 ( 1.442 -0.000 -22.763) 22.809 6.670 ( -1.468 0.000 66.063) 66.079 7.844 ( 1.138 -0.000 0.014) 1.138 8.028 ( -0.419 0.000 -24.729) 24.732 8.568 ( 2.504 -0.000 -28.983) 29.091 15.909 ( 0.545 -0.000 14.937) 14.947 15.975 ( 0.208 -0.000 6.987) 6.990 17.660 ( -0.301 0.000 1.331) 1.364 17.686 ( -1.327 0.000 -1.537) 2.030 18.042 ( 0.260 -0.000 3.534) 3.544 18.321 ( 0.670 -0.000 -22.143) 22.153 19.889 ( -4.388 0.000 11.685) 12.482 20.052 ( -6.071 0.000 -3.288) 6.904 ======================= Grid point 452 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 1.217 -0.262 0.249) 1.270 1.266 ( 2.980 -0.081 -1.370) 3.280 1.872 ( -0.977 1.368 6.011) 6.242 1.922 ( -0.899 -1.356 0.145) 1.633 2.247 ( -1.271 0.044 3.751) 3.961 2.306 ( 1.987 0.235 -1.848) 2.724 2.849 ( -0.693 0.120 -0.464) 0.843 2.866 ( 1.473 -0.177 -2.271) 2.713 3.674 ( -0.126 -0.062 30.765) 30.765 4.466 ( 0.331 0.051 -44.932) 44.933 5.135 ( 0.369 0.018 23.844) 23.847 5.612 ( -0.224 -0.091 -22.047) 22.049 6.649 ( -0.690 -0.010 66.018) 66.022 7.862 ( 0.465 -0.829 -10.301) 10.344 8.007 ( -1.434 0.953 -14.513) 14.614 8.587 ( -0.512 -0.017 -29.110) 29.115 15.929 ( 1.429 -0.050 14.540) 14.610 15.985 ( 0.791 -0.110 7.317) 7.361 17.651 ( -0.568 0.004 0.576) 0.810 17.660 ( -1.191 0.016 -0.802) 1.436 18.047 ( 0.272 -0.000 4.093) 4.102 18.340 ( 1.280 -0.007 -22.741) 22.777 19.819 ( -2.762 0.032 10.781) 11.129 19.958 ( -3.475 0.082 -1.783) 3.907 ======================= Grid point 453 (142/155) ======================= q-point: (-0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.364 0.443 1.606) 2.153 1.317 ( 2.470 0.796 -2.350) 3.501 1.832 ( -2.676 1.149 7.176) 7.744 1.917 ( -1.811 -2.242 -1.827) 3.412 2.183 ( -4.198 0.048 4.428) 6.102 2.274 ( -3.816 1.028 -4.326) 5.860 2.852 ( 0.853 0.122 1.813) 2.008 2.900 ( 1.589 0.079 -3.000) 3.396 3.670 ( -0.382 -0.145 31.505) 31.508 4.469 ( 0.052 0.220 -45.000) 45.001 5.111 ( -2.731 0.182 23.933) 24.089 5.593 ( -1.765 -0.230 -22.514) 22.584 6.645 ( 0.115 -0.323 66.106) 66.107 7.874 ( -0.563 -1.628 1.086) 2.037 7.961 ( -1.910 1.387 -26.264) 26.370 8.551 ( -3.208 -0.234 -28.926) 29.104 15.961 ( 2.022 0.574 14.190) 14.345 16.005 ( 1.177 0.188 7.905) 7.995 17.640 ( -0.630 -0.249 0.199) 0.706 17.644 ( -0.690 -0.517 -0.607) 1.054 18.052 ( 0.223 0.121 4.807) 4.814 18.367 ( 1.701 0.561 -23.952) 24.019 19.789 ( -0.776 -1.171 10.648) 10.740 19.923 ( -0.648 -1.427 -1.435) 2.125 ======================= Grid point 454 (143/155) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.541 2.017 2.577) 3.317 1.343 ( 1.368 1.812 -2.892) 3.677 1.726 ( -8.192 -0.359 8.314) 11.678 1.852 ( -8.145 -3.590 -4.316) 9.893 2.132 ( -0.013 0.783 3.480) 3.567 2.200 ( -1.075 2.657 -3.042) 4.180 2.865 ( 0.353 0.127 1.859) 1.896 2.914 ( -0.201 0.190 -3.014) 3.026 3.663 ( -0.505 -0.242 31.818) 31.823 4.465 ( -0.151 0.413 -45.118) 45.120 5.034 ( -4.815 0.342 25.916) 26.362 5.552 ( -2.690 -0.283 -23.987) 24.139 6.658 ( 0.674 -0.882 66.245) 66.254 7.843 ( -3.521 -0.489 32.394) 32.588 7.941 ( 0.431 -0.497 -58.061) 58.065 8.477 ( -4.623 -0.445 -28.486) 28.862 15.991 ( 1.973 1.677 13.978) 14.215 16.024 ( 1.157 0.806 8.474) 8.591 17.633 ( -0.506 -0.656 0.429) 0.933 17.643 ( -0.176 -1.368 -1.040) 1.727 18.054 ( 0.153 0.318 5.420) 5.432 18.392 ( 1.688 1.546 -25.264) 25.367 19.810 ( 1.023 -3.253 11.264) 11.769 19.958 ( 1.818 -4.203 -2.282) 5.116 ======================= Grid point 455 (144/155) ======================= q-point: (-0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -2.757 3.916 4.455) 6.541 1.336 ( -0.538 2.057 -3.853) 4.401 1.558 ( -8.949 -2.228 7.495) 11.883 1.693 ( -10.200 -3.856 -5.308) 12.128 2.158 ( 2.911 1.426 2.539) 4.117 2.189 ( 2.313 4.144 -0.356) 4.759 2.860 ( -0.833 -0.192 0.689) 1.098 2.891 ( -1.829 0.189 -2.441) 3.056 3.656 ( -0.413 -0.397 31.518) 31.523 4.457 ( -0.195 0.559 -45.255) 45.259 4.934 ( -4.953 0.376 28.853) 29.278 5.500 ( -2.697 -0.197 -25.866) 26.007 6.683 ( 0.875 -1.533 66.454) 66.477 7.774 ( -3.465 -0.050 31.969) 32.156 7.966 ( 0.837 -1.740 -58.174) 58.206 8.392 ( -4.418 -0.463 -27.822) 28.175 16.005 ( 1.365 2.738 13.946) 14.277 16.033 ( 0.806 1.442 8.761) 8.915 17.631 ( -0.365 -0.908 1.097) 1.470 17.658 ( 0.157 -2.095 -1.944) 2.862 18.052 ( 0.084 0.503 5.690) 5.713 18.403 ( 1.194 2.579 -25.947) 26.102 19.878 ( 2.038 -5.511 12.485) 13.799 20.058 ( 3.234 -7.436 -4.357) 9.205 ======================= Grid point 456 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -5.913 3.754 8.607) 11.096 1.288 ( -2.700 1.006 -7.692) 8.214 1.457 ( -3.730 -2.571 6.604) 8.008 1.574 ( -4.505 -2.478 -4.428) 6.785 2.184 ( 1.845 4.602 3.465) 6.048 2.211 ( 2.701 2.561 0.274) 3.732 2.835 ( -1.850 -0.261 0.245) 1.884 2.859 ( -1.068 -0.298 -2.263) 2.520 3.655 ( -0.191 -0.575 30.723) 30.729 4.449 ( -0.121 0.629 -45.303) 45.307 4.851 ( -3.084 0.331 31.299) 31.453 5.458 ( -1.712 -0.065 -27.407) 27.461 6.714 ( 0.653 -2.005 66.730) 66.763 7.722 ( -1.984 -0.194 31.331) 31.395 7.996 ( 0.563 -2.091 -57.999) 58.040 8.325 ( -2.717 -0.337 -27.104) 27.242 15.998 ( 0.610 3.264 14.177) 14.561 16.031 ( 0.365 1.734 8.645) 8.825 17.633 ( -0.216 -0.871 1.871) 2.075 17.681 ( 0.179 -2.271 -3.044) 3.801 18.049 ( 0.032 0.583 5.498) 5.529 18.395 ( 0.520 3.161 -25.703) 25.902 19.969 ( 1.712 -7.008 14.030) 15.776 20.192 ( 2.732 -9.804 -7.228) 12.483 ======================= Grid point 457 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 2.985 11.231) 11.621 1.251 ( 0.000 0.144 -10.906) 10.906 1.444 ( -0.000 -2.572 7.068) 7.522 1.550 ( -0.000 -1.463 -3.252) 3.566 2.159 ( 0.000 5.507 5.596) 7.851 2.220 ( 0.000 2.324 -0.945) 2.508 2.816 ( -0.000 -0.275 0.980) 1.018 2.853 ( -0.000 -0.531 -2.783) 2.834 3.658 ( -0.000 -0.643 29.771) 29.778 4.442 ( 0.000 0.609 -45.157) 45.161 4.818 ( 0.000 0.289 32.288) 32.289 5.441 ( -0.000 -0.009 -28.043) 28.043 6.738 ( -0.000 -2.044 66.954) 66.985 7.704 ( -0.000 -0.269 31.322) 31.323 8.019 ( -0.000 -2.007 -58.091) 58.125 8.300 ( -0.000 -0.255 -26.743) 26.745 15.977 ( 0.000 3.121 14.644) 14.973 16.020 ( 0.000 1.604 8.231) 8.386 17.638 ( -0.000 -0.669 2.421) 2.512 17.701 ( -0.000 -1.966 -3.901) 4.368 18.044 ( 0.000 0.539 4.939) 4.968 18.373 ( 0.000 3.049 -24.833) 25.020 20.047 ( -0.000 -7.059 15.325) 16.872 20.306 ( -0.000 -10.073 -9.657) 13.954 ======================= Grid point 462 (147/155) ======================= q-point: (-0.70 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 1.780 -0.000 1.846) 2.564 1.323 ( 2.802 -0.000 -2.423) 3.704 1.849 ( -2.841 0.000 5.080) 5.820 1.890 ( -2.337 0.000 0.086) 2.338 2.184 ( -4.011 0.000 4.694) 6.174 2.282 ( -3.501 0.000 -4.888) 6.012 2.853 ( 0.897 -0.000 1.901) 2.102 2.901 ( 1.626 -0.000 -2.871) 3.300 3.669 ( -0.398 0.000 31.763) 31.766 4.471 ( 0.106 -0.000 -45.100) 45.100 5.113 ( -2.674 0.000 23.693) 23.843 5.591 ( -1.788 0.000 -22.390) 22.461 6.642 ( -0.026 0.000 65.994) 65.994 7.859 ( -0.449 0.000 -2.926) 2.960 7.973 ( -2.227 0.000 -22.466) 22.577 8.549 ( -3.282 0.000 -28.711) 28.898 15.966 ( 2.326 -0.000 14.071) 14.262 16.006 ( 1.349 -0.000 8.068) 8.180 17.638 ( -0.718 0.000 0.080) 0.723 17.639 ( -0.965 0.000 -0.528) 1.100 18.053 ( 0.277 -0.000 4.946) 4.954 18.372 ( 1.961 -0.000 -24.133) 24.213 19.779 ( -1.322 0.000 10.565) 10.647 19.911 ( -1.363 0.000 -1.296) 1.881 ======================= Grid point 464 (148/155) ======================= q-point: (-0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.403 0.695 2.741) 3.157 1.364 ( 1.595 0.681 -2.605) 3.129 1.734 ( -8.705 0.998 5.127) 10.152 1.799 ( -8.678 -2.358 -1.685) 9.149 2.142 ( 0.282 0.296 4.111) 4.132 2.230 ( -0.508 0.929 -4.622) 4.741 2.867 ( 0.228 0.056 2.084) 2.098 2.916 ( -0.197 0.050 -2.881) 2.888 3.660 ( -0.548 -0.102 32.595) 32.600 4.470 ( -0.086 0.173 -45.306) 45.306 5.038 ( -4.794 0.139 25.356) 25.806 5.548 ( -2.656 -0.136 -23.776) 23.924 6.647 ( 0.398 -0.338 66.058) 66.060 7.833 ( -2.800 -0.481 24.465) 24.630 7.941 ( -0.649 0.137 -50.537) 50.541 8.471 ( -4.646 -0.177 -28.177) 28.558 16.011 ( 2.516 0.654 13.639) 13.885 16.033 ( 1.462 0.283 8.975) 9.098 17.625 ( -0.669 -0.277 -0.220) 0.756 17.627 ( -0.603 -0.539 -0.504) 0.953 18.057 ( 0.245 0.125 5.939) 5.946 18.411 ( 2.173 0.600 -26.023) 26.120 19.771 ( 0.052 -1.230 10.849) 10.919 19.909 ( 0.451 -1.580 -1.537) 2.250 ======================= Grid point 465 (149/155) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.279 2.885 3.187) 4.485 1.362 ( -1.379 0.985 -1.956) 2.587 1.538 ( -9.645 -0.139 4.880) 10.810 1.631 ( -9.718 -3.414 -3.843) 10.994 2.176 ( 3.175 0.764 3.606) 4.865 2.243 ( 2.586 2.241 -2.958) 4.523 2.858 ( -1.078 -0.104 1.035) 1.498 2.893 ( -1.961 0.077 -2.610) 3.265 3.651 ( -0.496 -0.240 32.880) 32.885 4.465 ( -0.144 0.372 -45.534) 45.535 4.939 ( -4.998 0.241 28.243) 28.683 5.497 ( -2.590 -0.157 -25.656) 25.787 6.662 ( 0.538 -0.951 66.205) 66.214 7.771 ( -3.450 -0.245 31.913) 32.099 7.944 ( 0.445 -0.820 -58.582) 58.590 8.385 ( -4.327 -0.298 -27.617) 27.956 16.044 ( 1.854 1.797 13.180) 13.431 16.054 ( 1.182 0.917 9.805) 9.919 17.618 ( -0.485 -0.659 0.206) 0.844 17.627 ( -0.230 -1.480 -1.156) 1.893 18.060 ( 0.175 0.332 6.702) 6.713 18.440 ( 1.741 1.677 -27.515) 27.621 19.801 ( 0.963 -3.388 11.528) 12.055 19.955 ( 1.596 -4.543 -2.565) 5.456 ======================= Grid point 466 (150/155) ======================= q-point: (-0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -6.665 3.739 6.185) 9.831 1.300 ( -4.229 0.269 -5.064) 6.603 1.425 ( -2.869 -1.325 5.587) 6.419 1.536 ( -2.809 -2.024 -4.772) 5.896 2.229 ( 2.743 1.424 2.926) 4.256 2.269 ( 2.245 3.477 -0.995) 4.256 2.832 ( -1.664 -0.172 0.097) 1.676 2.854 ( -1.669 -0.298 -2.333) 2.884 3.646 ( -0.273 -0.419 32.521) 32.525 4.459 ( -0.092 0.534 -45.686) 45.689 4.857 ( -3.129 0.269 30.861) 31.021 5.457 ( -1.616 -0.066 -27.225) 27.273 6.682 ( 0.414 -1.631 66.419) 66.440 7.718 ( -2.080 -0.211 31.541) 31.610 7.964 ( 0.428 -1.636 -58.636) 58.660 8.319 ( -2.607 -0.280 -27.083) 27.209 16.051 ( 0.812 2.672 12.732) 13.034 16.060 ( 0.645 1.788 10.352) 10.526 17.617 ( -0.245 -0.956 0.814) 1.279 17.641 ( 0.009 -2.264 -1.927) 2.973 18.058 ( 0.081 0.528 6.890) 6.911 18.446 ( 0.859 2.778 -27.875) 28.026 19.859 ( 1.007 -5.677 12.489) 13.756 20.039 ( 1.581 -7.853 -4.342) 9.111 ======================= Grid point 467 (151/155) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 3.383 8.652) 9.290 1.250 ( -0.000 -0.304 -8.038) 8.044 1.413 ( -0.000 -1.247 6.374) 6.495 1.526 ( -0.000 -1.337 -4.541) 4.733 2.238 ( 0.000 3.178 2.892) 4.297 2.263 ( 0.000 3.322 0.128) 3.324 2.812 ( -0.000 -0.134 0.423) 0.443 2.843 ( -0.000 -0.682 -2.681) 2.766 3.648 ( -0.000 -0.568 31.691) 31.696 4.453 ( 0.000 0.630 -45.623) 45.627 4.823 ( 0.000 0.288 31.956) 31.957 5.441 ( -0.000 -0.009 -27.871) 27.871 6.702 ( -0.000 -2.057 66.630) 66.661 7.700 ( -0.000 -0.270 31.297) 31.298 7.984 ( -0.000 -2.041 -58.466) 58.502 8.296 ( -0.000 -0.254 -26.797) 26.798 16.033 ( 0.000 3.341 13.454) 13.863 16.050 ( 0.000 1.940 9.535) 9.730 17.623 ( -0.000 -0.994 1.456) 1.763 17.662 ( -0.000 -2.504 -2.669) 3.659 18.054 ( 0.000 0.617 6.411) 6.441 18.428 ( 0.000 3.337 -27.102) 27.307 19.925 ( -0.000 -7.092 13.488) 15.238 20.133 ( -0.000 -9.962 -6.251) 11.761 ======================= Grid point 474 (152/155) ======================= q-point: (-0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.360 -0.000 2.694) 2.718 1.369 ( -2.616 0.000 -0.778) 2.729 1.544 ( -10.409 0.000 2.722) 10.759 1.594 ( -9.164 0.000 -2.548) 9.512 2.183 ( 3.236 -0.000 3.964) 5.118 2.262 ( 2.712 -0.000 -3.908) 4.757 2.857 ( -1.164 0.000 1.140) 1.630 2.894 ( -2.013 0.000 -2.658) 3.335 3.649 ( -0.519 0.000 33.426) 33.430 4.468 ( -0.129 0.000 -45.650) 45.650 4.942 ( -5.019 0.000 28.003) 28.450 5.496 ( -2.538 0.000 -25.562) 25.688 6.654 ( 0.409 -0.000 66.085) 66.087 7.769 ( -3.342 0.000 31.093) 31.272 7.938 ( 0.178 -0.000 -57.970) 57.970 8.382 ( -4.290 0.000 -27.504) 27.837 16.061 ( 2.178 -0.000 13.153) 13.332 16.061 ( 1.246 -0.000 9.984) 10.062 17.612 ( -0.548 0.000 -0.205) 0.585 17.613 ( -0.426 0.000 -0.824) 0.927 18.063 ( 0.215 -0.000 7.105) 7.108 18.454 ( 1.973 -0.000 -28.157) 28.226 19.772 ( 0.548 -0.000 11.169) 11.183 19.915 ( 0.964 -0.000 -1.880) 2.112 ======================= Grid point 476 (153/155) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -7.647 2.230 3.583) 8.735 1.295 ( -5.052 -0.654 -2.010) 5.477 1.411 ( -2.373 -0.380 4.640) 5.225 1.511 ( -1.258 -0.782 -4.845) 5.067 2.244 ( 2.878 0.450 3.593) 4.626 2.310 ( 2.353 1.256 -2.909) 3.947 2.830 ( -1.443 -0.042 -0.060) 1.445 2.850 ( -2.138 -0.141 -2.335) 3.169 3.641 ( -0.309 -0.148 33.698) 33.700 4.465 ( -0.082 0.210 -45.912) 45.913 4.860 ( -3.160 0.103 30.592) 30.755 5.456 ( -1.542 -0.029 -27.104) 27.148 6.663 ( 0.265 -0.625 66.185) 66.188 7.715 ( -2.071 -0.098 31.440) 31.508 7.945 ( 0.249 -0.608 -58.830) 58.833 8.316 ( -2.533 -0.108 -27.040) 27.159 16.077 ( 0.673 0.703 10.602) 10.647 16.089 ( 1.184 1.122 12.808) 12.911 17.605 ( -0.294 -0.356 -0.079) 0.468 17.612 ( -0.182 -1.067 -1.140) 1.572 18.065 ( 0.121 0.216 7.821) 7.825 18.480 ( 1.116 1.126 -29.406) 29.448 19.792 ( 0.560 -2.165 11.572) 11.786 19.946 ( 0.858 -2.992 -2.550) 4.023 ======================= Grid point 477 (154/155) ======================= q-point: (-0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 2.709 5.730) 6.338 1.240 ( -0.000 -0.830 -4.810) 4.881 1.400 ( -0.000 -0.366 5.479) 5.492 1.508 ( -0.000 -0.681 -4.981) 5.027 2.269 ( 0.000 0.990 3.140) 3.293 2.318 ( 0.000 2.527 -1.755) 3.077 2.812 ( 0.000 0.114 -0.288) 0.309 2.832 ( -0.000 -0.623 -2.377) 2.458 3.640 ( -0.000 -0.312 33.348) 33.350 4.462 ( 0.000 0.400 -45.950) 45.951 4.827 ( 0.000 0.177 31.690) 31.691 5.441 ( -0.000 -0.005 -27.731) 27.731 6.673 ( -0.000 -1.277 66.314) 66.326 7.696 ( -0.000 -0.167 31.276) 31.277 7.956 ( -0.000 -1.279 -58.782) 58.796 8.292 ( -0.000 -0.157 -26.840) 26.841 16.074 ( 0.000 1.461 10.768) 10.867 16.086 ( 0.000 2.161 12.588) 12.773 17.607 ( -0.000 -0.783 0.351) 0.858 17.623 ( -0.000 -1.922 -1.595) 2.498 18.063 ( 0.000 0.424 7.734) 7.745 18.477 ( 0.000 2.248 -29.237) 29.323 19.826 ( -0.000 -4.388 12.073) 12.845 19.994 ( -0.000 -6.130 -3.537) 7.077 ======================= Grid point 487 (155/155) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 0.000 3.985) 3.985 1.230 ( 0.000 0.000 -2.932) 2.932 1.397 ( 0.000 0.000 5.108) 5.108 1.503 ( 0.000 0.000 -5.070) 5.070 2.277 ( 0.000 0.000 3.502) 3.502 2.340 ( 0.000 0.000 -2.801) 2.801 2.814 ( 0.000 0.000 -0.698) 0.698 2.825 ( 0.000 0.000 -2.132) 2.132 3.638 ( 0.000 0.000 34.005) 34.005 4.466 ( 0.000 0.000 -46.063) 46.063 4.829 ( 0.000 0.000 31.590) 31.590 5.441 ( 0.000 0.000 -27.677) 27.677 6.662 ( 0.000 0.000 66.180) 66.180 7.694 ( 0.000 0.000 31.268) 31.268 7.945 ( 0.000 0.000 -58.906) 58.906 8.291 ( 0.000 0.000 -26.857) 26.857 16.087 ( 0.000 0.000 10.868) 10.868 16.106 ( 0.000 0.000 12.705) 12.705 17.601 ( 0.000 0.000 -0.198) 0.198 17.605 ( 0.000 0.000 -1.123) 1.123 18.067 ( 0.000 0.000 8.270) 8.270 18.496 ( 0.000 0.000 -30.155) 30.155 19.788 ( 0.000 0.000 11.546) 11.546 19.941 ( 0.000 0.000 -2.475) 2.475 =================== 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 3/21600 10.0 41.715 58.859 42.343 0.000 0.000 0.000 3/21600 20.0 11.430 15.025 15.138 0.000 0.000 0.000 3/21600 30.0 6.287 7.735 11.430 0.000 0.000 0.000 3/21600 40.0 4.299 5.147 11.259 0.000 0.000 0.000 3/21600 50.0 3.271 3.862 11.946 0.000 0.000 0.000 3/21600 60.0 2.649 3.099 12.777 0.000 0.000 0.000 3/21600 70.0 2.234 2.594 13.496 0.000 0.000 0.000 3/21600 80.0 1.938 2.235 14.015 0.000 0.000 0.000 3/21600 90.0 1.715 1.966 14.322 0.000 0.000 0.000 3/21600 100.0 1.542 1.757 14.445 0.000 0.000 0.000 3/21600 110.0 1.402 1.590 14.422 0.000 0.000 0.000 3/21600 120.0 1.287 1.453 14.289 0.000 0.000 0.000 3/21600 130.0 1.191 1.339 14.079 0.000 0.000 0.000 3/21600 140.0 1.109 1.243 13.818 0.000 0.000 0.000 3/21600 150.0 1.038 1.160 13.522 0.000 0.000 0.000 3/21600 160.0 0.976 1.088 13.207 0.000 0.000 0.000 3/21600 170.0 0.922 1.026 12.882 0.000 0.000 0.000 3/21600 180.0 0.874 0.971 12.554 0.000 0.000 0.000 3/21600 190.0 0.831 0.921 12.227 0.000 0.000 0.000 3/21600 200.0 0.793 0.877 11.905 0.000 0.000 0.000 3/21600 210.0 0.758 0.838 11.591 0.000 0.000 0.000 3/21600 220.0 0.726 0.801 11.284 0.000 0.000 0.000 3/21600 230.0 0.697 0.769 10.988 0.000 0.000 0.000 3/21600 240.0 0.671 0.739 10.701 0.000 0.000 0.000 3/21600 250.0 0.646 0.711 10.424 0.000 0.000 0.000 3/21600 260.0 0.623 0.685 10.157 0.000 0.000 0.000 3/21600 270.0 0.602 0.662 9.901 0.000 0.000 0.000 3/21600 280.0 0.583 0.640 9.654 0.000 0.000 0.000 3/21600 290.0 0.564 0.619 9.417 0.000 0.000 0.000 3/21600 300.0 0.547 0.600 9.189 0.000 0.000 0.000 3/21600 310.0 0.531 0.582 8.970 0.000 0.000 0.000 3/21600 320.0 0.516 0.565 8.760 0.000 0.000 0.000 3/21600 330.0 0.502 0.549 8.557 0.000 0.000 0.000 3/21600 340.0 0.488 0.534 8.363 0.000 0.000 0.000 3/21600 350.0 0.475 0.519 8.176 0.000 0.000 0.000 3/21600 360.0 0.463 0.506 7.997 0.000 0.000 0.000 3/21600 370.0 0.451 0.493 7.824 0.000 0.000 0.000 3/21600 380.0 0.441 0.481 7.658 0.000 0.000 0.000 3/21600 390.0 0.430 0.469 7.498 0.000 0.000 0.000 3/21600 400.0 0.420 0.458 7.343 0.000 0.000 0.000 3/21600 410.0 0.411 0.448 7.195 0.000 0.000 0.000 3/21600 420.0 0.401 0.438 7.052 0.000 0.000 0.000 3/21600 430.0 0.393 0.428 6.914 0.000 0.000 0.000 3/21600 440.0 0.384 0.419 6.781 0.000 0.000 0.000 3/21600 450.0 0.376 0.410 6.652 0.000 0.000 0.000 3/21600 460.0 0.369 0.402 6.528 0.000 0.000 0.000 3/21600 470.0 0.361 0.394 6.408 0.000 0.000 0.000 3/21600 480.0 0.354 0.386 6.293 0.000 0.000 0.000 3/21600 490.0 0.348 0.378 6.181 0.000 0.000 0.000 3/21600 500.0 0.341 0.371 6.072 0.000 0.000 0.000 3/21600 510.0 0.335 0.364 5.968 0.000 0.000 0.000 3/21600 520.0 0.329 0.358 5.866 0.000 0.000 0.000 3/21600 530.0 0.323 0.351 5.768 0.000 0.000 0.000 3/21600 540.0 0.317 0.345 5.673 0.000 0.000 0.000 3/21600 550.0 0.312 0.339 5.581 0.000 0.000 0.000 3/21600 560.0 0.306 0.333 5.491 0.000 0.000 0.000 3/21600 570.0 0.301 0.327 5.404 0.000 0.000 0.000 3/21600 580.0 0.296 0.322 5.320 0.000 0.000 0.000 3/21600 590.0 0.291 0.317 5.239 0.000 0.000 0.000 3/21600 600.0 0.287 0.312 5.159 0.000 0.000 0.000 3/21600 610.0 0.282 0.307 5.082 0.000 0.000 0.000 3/21600 620.0 0.278 0.302 5.007 0.000 0.000 0.000 3/21600 630.0 0.274 0.297 4.935 0.000 0.000 0.000 3/21600 640.0 0.270 0.293 4.864 0.000 0.000 0.000 3/21600 650.0 0.266 0.289 4.795 0.000 0.000 0.000 3/21600 660.0 0.262 0.284 4.728 0.000 0.000 0.000 3/21600 670.0 0.258 0.280 4.663 0.000 0.000 0.000 3/21600 680.0 0.254 0.276 4.599 0.000 0.000 0.000 3/21600 690.0 0.251 0.272 4.537 0.000 0.000 0.000 3/21600 700.0 0.247 0.269 4.477 0.000 0.000 0.000 3/21600 710.0 0.244 0.265 4.418 0.000 0.000 0.000 3/21600 720.0 0.241 0.261 4.361 0.000 0.000 0.000 3/21600 730.0 0.238 0.258 4.305 0.000 0.000 0.000 3/21600 740.0 0.234 0.254 4.251 0.000 0.000 0.000 3/21600 750.0 0.231 0.251 4.198 0.000 0.000 0.000 3/21600 760.0 0.228 0.248 4.146 0.000 0.000 0.000 3/21600 770.0 0.226 0.245 4.095 0.000 0.000 0.000 3/21600 780.0 0.223 0.242 4.046 0.000 0.000 0.000 3/21600 790.0 0.220 0.239 3.998 0.000 0.000 0.000 3/21600 800.0 0.217 0.236 3.951 0.000 0.000 0.000 3/21600 810.0 0.215 0.233 3.904 0.000 0.000 0.000 3/21600 820.0 0.212 0.230 3.859 0.000 0.000 0.000 3/21600 830.0 0.210 0.227 3.815 0.000 0.000 0.000 3/21600 840.0 0.207 0.225 3.772 0.000 0.000 0.000 3/21600 850.0 0.205 0.222 3.730 0.000 0.000 0.000 3/21600 860.0 0.203 0.220 3.689 0.000 0.000 0.000 3/21600 870.0 0.200 0.217 3.649 0.000 0.000 0.000 3/21600 880.0 0.198 0.215 3.609 0.000 0.000 0.000 3/21600 890.0 0.196 0.212 3.570 0.000 0.000 0.000 3/21600 900.0 0.194 0.210 3.533 0.000 0.000 0.000 3/21600 910.0 0.192 0.208 3.495 0.000 0.000 0.000 3/21600 920.0 0.190 0.206 3.459 0.000 0.000 0.000 3/21600 930.0 0.188 0.203 3.424 0.000 0.000 0.000 3/21600 940.0 0.186 0.201 3.389 0.000 0.000 0.000 3/21600 950.0 0.184 0.199 3.355 0.000 0.000 0.000 3/21600 960.0 0.182 0.197 3.321 0.000 0.000 0.000 3/21600 970.0 0.180 0.195 3.288 0.000 0.000 0.000 3/21600 980.0 0.178 0.193 3.256 0.000 0.000 0.000 3/21600 990.0 0.177 0.191 3.224 0.000 0.000 0.000 3/21600 1000.0 0.175 0.189 3.193 0.000 0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:55:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|